diff --git a/input/kinetics/families/R_Addition_MultipleBond/groups.py b/input/kinetics/families/R_Addition_MultipleBond/groups.py index 8166655c36..c81dec3413 100644 --- a/input/kinetics/families/R_Addition_MultipleBond/groups.py +++ b/input/kinetics/families/R_Addition_MultipleBond/groups.py @@ -2,16 +2,22 @@ # encoding: utf-8 name = "R_Addition_MultipleBond/groups" -shortDesc = u"" -longDesc = u""" +shortDesc = "" +longDesc = """ The reaction site *3 should be a triplet, otherwise it will react via the 1+2_Cycloaddition family instead. """ -template(reactants=["R_R", "YJ"], products=["RJ_R_Y"], ownReverse=False) +template(reactants=["Root"], products=["RJ_R_Y"], ownReverse=False) reverse = "Beta_Scission" reversible = True +reactantNum = 2 + +productNum = 1 + +autoGenerated = True + recipe(actions=[ ['CHANGE_BOND', '*1', -1, '*2'], ['FORM_BOND', '*1', 1, '*3'], @@ -21,18828 +27,82677 @@ entry( index = 0, - label = "R_R", + label = "Root", group = """ -1 *1 R!H u0 {2,[D,T,B]} -2 *2 R!H u0 {1,[D,T,B]} +1 *1 R!H u0 {2,[D,T,B]} +2 *2 R!H u0 {1,[D,T,B]} +3 *3 R u[1,2,3,4] """, kinetics = None, ) entry( index = 1, - label = "YJ", - group = "OR{HJ, Y_1centerquadrad, Y_1centertrirad, Y_1centerbirad, CJ, OJ, SJ, NJ}", + label = "Root_3R->H", + group = +""" +1 *1 R!H u0 {2,[D,T,B]} +2 *2 R!H u0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +""", kinetics = None, ) entry( index = 2, - label = "Cb_Cb", + label = "Root_3R->H_2R!H->N", group = """ -1 *1 [Cb,Cbf] u0 {2,B} -2 *2 [Cb,Cbf] u0 {1,B} +1 *1 R!H u0 {2,[D,T,B]} +2 *2 N u0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] """, kinetics = None, ) entry( index = 3, - label = "Cb-R!H_Cb", + label = "Root_3R->H_2R!H->N_1R!H->N", group = """ -1 *1 [Cb,Cbf] u0 {2,B} {3,[S,B]} {4,B} -2 *2 [Cb,Cbf] u0 {1,B} -3 R!H u0 {1,[S,B]} -4 [Cb,Cbf] u0 {1,B} +1 *1 N u0 {2,[D,T,B]} +2 *2 N u0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] """, kinetics = None, ) entry( index = 4, - label = "Cb-R!H_Cb-R!H", + label = "Root_3R->H_2R!H->N_1R!H->N_Sp-2N=1N", group = """ -1 *1 [Cb,Cbf] u0 {2,B} {3,B} {5,[S,B]} -2 *2 [Cb,Cbf] u0 {1,B} {4,B} {6,[S,B]} -3 [Cb,Cbf] u0 {1,B} -4 [Cb,Cbf] u0 {2,B} -5 R!H u0 {1,[S,B]} -6 R!H u0 {2,[S,B]} +1 *1 N u0 {2,D} +2 *2 N u0 {1,D} +3 *3 H u[1,2,3,4] """, kinetics = None, ) entry( index = 5, - label = "Cb-indeneDe_Cb-indeneNde", + label = "Root_3R->H_2R!H->N_1R!H->N_N-Sp-2N=1N", group = """ -1 *1 Cb u0 {2,B} {3,S} {6,B} -2 *2 Cb u0 {1,B} {4,S} {7,B} -3 Cd u0 {1,S} {5,D} -4 C u0 {2,S} {5,S} -5 Cd u0 {3,D} {4,S} -6 [Cb,Cbf] u0 {1,B} -7 [Cb,Cbf] u0 {2,B} +1 *1 N u0 {2,T} +2 *2 N u0 {1,T} +3 *3 H u[1,2,3,4] """, kinetics = None, ) entry( index = 6, - label = "Cb-indeneNde_Cb-indene_De", + label = "Root_3R->H_2R!H->N_N-1R!H->N", group = """ -1 *2 Cb u0 {2,B} {3,S} {6,B} -2 *1 Cb u0 {1,B} {4,S} {7,B} -3 Cd u0 {1,S} {5,D} -4 C u0 {2,S} {5,S} -5 Cd u0 {3,D} {4,S} -6 [Cb,Cbf] u0 {1,B} -7 [Cb,Cbf] u0 {2,B} +1 *1 [O,S,C] u0 {2,[D,T,B]} +2 *2 N u0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] """, kinetics = None, ) entry( index = 7, - label = "Cb-benzofuranNde_Cb-benzofuranDe", + label = "Root_3R->H_2R!H->N_N-1R!H->N_Sp-2N=1COS", group = """ -1 *1 Cb u0 {2,B} {3,S} {6,B} -2 *2 Cb u0 {1,B} {4,S} {7,B} -3 O u0 {1,S} {5,S} -4 C u0 {2,S} {5,D} -5 C u0 {3,S} {4,D} -6 [Cb,Cbf] u0 {1,B} -7 [Cb,Cbf] u0 {2,B} +1 *1 [O,S,C] u0 {2,D} +2 *2 N u0 {1,D} +3 *3 H u[1,2,3,4] """, kinetics = None, ) entry( index = 8, - label = "Cb-R!H_Cb-H", + label = "Root_3R->H_2R!H->N_N-1R!H->N_N-Sp-2N=1COS", group = """ -1 *1 [Cb,Cbf] u0 {2,B} {3,[S,B]} {5,B} -2 *2 [Cb,Cbf] u0 {1,B} {4,S} -3 R!H u0 {1,[S,B]} -4 H u0 {2,S} -5 [Cb,Cbf] u0 {1,B} +1 *1 [O,S,C] u0 {2,T} +2 *2 N u0 {1,T} +3 *3 H u[1,2,3,4] """, kinetics = None, ) entry( index = 9, - label = "Cb-C-cyclic_Cb-H", + label = "Root_3R->H_N-2R!H->N", group = """ -1 *1 [Cb,Cbf] u0 {2,B} {3,B} {4,[S,B]} -2 *2 Cb u0 {1,B} {8,S} -3 [Cb,Cbf] u0 {1,B} {7,[S,B]} -4 C u0 {1,[S,B]} {5,[S,D,T,B]} -5 C u0 {4,[S,D,T,B]} {6,[S,D,T,B]} -6 C u0 {5,[S,D,T,B]} {7,[S,D,T,B]} -7 C u0 {3,[S,B]} {6,[S,D,T,B]} -8 H u0 {2,S} +1 *1 R!H u0 {2,[D,T,B]} +2 *2 [O,S,C] u0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] """, kinetics = None, ) entry( index = 10, - label = "Cbf-Cb-cyclic_Cb-H", + label = "Root_3R->H_N-2R!H->N_2COS-inRing", group = """ -1 *1 Cbf u0 {2,B} {3,B} {4,B} -2 *2 Cb u0 {1,B} {8,S} -3 Cbf u0 {1,B} {7,B} -4 [Cb,Cbf] u0 {1,B} {5,B} -5 [Cb,Cbf] u0 {4,B} {6,B} -6 [Cb,Cbf] u0 {5,B} {7,B} -7 [Cb,Cbf] u0 {3,B} {6,B} -8 H u0 {2,S} +1 *1 R!H u0 {2,[D,T,B]} +2 *2 [O,S,C] u0 r1 {1,[D,T,B]} +3 *3 H u[1,2,3,4] """, kinetics = None, ) entry( index = 11, - label = "Cb-Cd_Cb-H", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H", group = """ -1 *1 Cb u0 {2,B} {3,S} {5,B} -2 *2 Cb u0 {1,B} {4,S} -3 Cd u0 {1,S} -4 H u0 {2,S} -5 Cb u0 {1,B} +1 *1 R!H u0 {2,B} +2 *2 [O,S,C] u0 r1 {1,B} +3 *3 H u[1,2,3,4] """, kinetics = None, ) entry( index = 12, - label = "Cb-Cs_Cb-H", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R", group = """ -1 *1 Cb u0 {2,B} {3,S} {5,B} -2 *2 Cb u0 {1,B} {4,S} -3 Cs u0 {1,S} -4 H u0 {2,S} -5 Cb u0 {1,B} +1 *1 R!H u0 {2,B} {4,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r1 {1,B} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 13, - label = "Cb-H_Cb", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_5R!H-u1", group = """ -1 *1 Cb u0 {2,B} {3,S} -2 *2 [Cb,Cbf] u0 {1,B} -3 H u0 {1,S} +1 *1 R!H u0 {2,B} {4,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r1 {1,B} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H u1 {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 14, - label = "Cb-H_Cb-R!H", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1", group = """ -1 *1 Cb u0 {2,B} {3,S} -2 *2 [Cb,Cbf] u0 {1,B} {4,[S,B]} {5,B} -3 H u0 {1,S} -4 R!H u0 {2,[S,B]} -5 [Cb,Cbf] u0 {2,B} +1 *1 R!H u0 {2,B} {4,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r1 {1,B} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H u0 {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 15, - label = "Cb-H_Cb-indeneNde", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_Ext-1R!H-R", group = """ -1 Cb u0 {2,B} {4,S} -2 *2 Cb u0 {1,B} {3,B} {5,S} -3 *1 Cb u0 {2,B} {7,S} -4 Cd u0 {1,S} {6,D} -5 C u0 {2,S} {6,S} -6 Cd u0 {4,D} {5,S} -7 H u0 {3,S} +1 *1 C u0 {2,B} {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 r1 {1,B} +3 *3 H u[1,2,3,4] +4 C ux {1,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H u0 {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 16, - label = "Cb-H_Cbf-Cb", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_Ext-1R!H-R_Ext-2COS-R_Int-8R!H-5R!H", group = """ -1 *1 Cb u0 {2,B} {3,S} -2 *2 Cbf u0 {1,B} {4,B} {5,B} -3 H u0 {1,S} -4 [Cb,Cbf] u0 {2,B} -5 [Cb,Cbf] u0 {2,B} +1 *1 C u0 r1 {2,B} {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 r1 {1,B} {8,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C ux {1,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 C u0 {4,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 C ux {4,[S,D,T,B,Q]} +7 C ux r1 {1,[S,D,T,B,Q]} +8 C u0 r1 {2,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 17, - label = "Cb-H-Ortho_Cb-C", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_Ext-1R!H-R_Ext-2COS-R_Ext-8R!H-R_Ext-8R!H-R", group = """ -1 *1 Cb u0 {2,B} {3,S} -2 *2 Cb u0 {1,B} {4,S} {5,B} -3 H u0 {1,S} -4 C u0 {2,S} -5 [Cb,Cbf] u0 {2,B} +1 *1 C u0 r1 {2,B} {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 r1 {1,B} {8,B} +3 *3 H u[1,2,3,4] +4 C ux {1,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H u0 {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 C ux r1 {1,[S,D,T,B,Q]} +8 C ux r1 {2,B} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +10 R!H ux {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 18, - label = "Cb-H_Cb-H", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_Ext-1R!H-R_Sp-5R!H-4R!H", group = """ -1 *1 Cb u0 {2,B} {3,S} -2 *2 Cb u0 {1,B} {4,S} -3 H u0 {1,S} -4 H u0 {2,S} +1 *1 C u0 {2,B} {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 r1 {1,B} +3 *3 H u[1,2,3,4] +4 C ux {1,[S,D,T,B,Q]} {5,S} {6,[S,D,T,B,Q]} +5 R!H u0 {4,S} +6 R!H ux {4,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 19, - label = "Cb-H-Meta_Cb-H", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_Ext-1R!H-R_Sp-5R!H-4R!H_Sp-6R!H-4R!H", group = """ -1 *1 Cb u0 {2,B} {6,S} -2 *2 Cb u0 {1,B} {3,B} {5,S} -3 [Cb,Cbf] u0 {2,B} {4,S} -4 R!H u0 {3,S} -5 H u0 {2,S} -6 H u0 {1,S} +1 *1 C u0 r1 {2,B} {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 r1 {1,B} +3 *3 H u1 r0 +4 C u0 {1,[S,D,T,B,Q]} {5,S} {6,S} +5 R!H u0 {4,S} +6 R!H ux {4,S} +7 C u0 r1 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 20, - label = "Cb-H-Para_Cb-H", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_Ext-1R!H-R_Sp-5R!H-4R!H_N-Sp-6R!H-4R!H", group = """ -1 *1 Cb u0 {2,B} {7,S} -2 *2 Cb u0 {1,B} {4,B} {6,S} -3 [Cb,Cbf] u0 {4,B} {5,S} -4 [Cb,Cbf] u0 {2,B} {3,B} -5 R!H u0 {3,S} -6 H u0 {2,S} -7 H u0 {1,S} +1 *1 C u0 {2,B} {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 r1 {1,B} +3 *3 H u[1,2,3,4] +4 C ux {1,[S,D,T,B,Q]} {5,S} {6,[B,D]} +5 C u0 {4,S} +6 C ux {4,[B,D]} +7 C ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 21, - label = "Cb-H_Cb-H_o_ketene", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_Ext-1R!H-R_Sp-5R!H-4R!H_N-Sp-6R!H-4R!H_Ext-7R!H-R", group = """ -1 *1 Cb u0 {2,B} {3,B} {4,S} -2 *2 Cb u0 {1,B} {5,S} -3 Cb u0 {1,B} {6,S} -4 H u0 {1,S} -5 H u0 {2,S} -6 Cd u0 {3,S} {7,D} -7 Cdd u0 {6,D} {8,D} -8 O u0 {7,D} +1 *1 C u0 {2,B} {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 r1 {1,B} +3 *3 H u[1,2,3,4] +4 C ux {1,[S,D,T,B,Q]} {5,S} {6,[B,D]} +5 C u0 {4,S} +6 C ux {4,[B,D]} +7 C ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 22, - label = "Cd_R", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_Ext-1R!H-R_Sp-5R!H-4R!H_N-Sp-6R!H-4R!H_Ext-7R!H-R_Ext-5R!H-R", group = """ -1 *1 C u0 {2,D} -2 *2 R!H u0 {1,D} +1 *1 C u0 r1 {2,B} {4,B} {7,S} +2 *2 C u0 r1 {1,B} +3 *3 H u1 r0 +4 C u0 r1 {1,B} {5,S} {6,B} +5 C u0 r1 {4,S} {9,S} +6 C u0 r1 {4,B} +7 C u0 r1 {1,S} {8,S} +8 C u0 r1 {7,S} +9 C u0 r1 {5,S} """, kinetics = None, ) entry( index = 23, - label = "Cdd_Od", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_Ext-1R!H-R_Sp-5R!H-4R!H_N-Sp-6R!H-4R!H_Ext-7R!H-R_4R!H-inRing", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 O2d u0 {1,D} -3 R!H u0 {1,D} +1 *1 C u0 r1 {2,B} {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 r1 {1,B} +3 *3 H u[1,2,3,4] +4 C ux r1 {1,[S,D,T,B,Q]} {5,S} {6,[B,D]} +5 C u0 {4,S} +6 C ux {4,[B,D]} +7 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux r1 {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 24, - label = "CO2", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_Ext-1R!H-R_Sp-5R!H-4R!H_N-Sp-6R!H-4R!H_Ext-7R!H-R_N-4R!H-inRing", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 O2d u0 {1,D} -3 O2d u0 {1,D} +1 *1 C u0 r1 {2,B} {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 r1 {1,B} +3 *3 H u[1,2,3,4] +4 C ux r0 {1,[S,D,T,B,Q]} {5,S} {6,[B,D]} +5 C u0 {4,S} +6 C ux {4,[B,D]} +7 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux r1 {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 25, - label = "Ck_O", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_Ext-1R!H-R_N-Sp-5R!H-4R!H", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 O2d u0 {1,D} -3 C u0 {1,D} +1 *1 C u0 r1 {2,B} {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 r1 {1,B} +3 *3 H u[1,2,3,4] +4 C ux {1,[S,D,T,B,Q]} {5,[B,D]} {6,[S,D,T,B,Q]} +5 C u0 {4,[B,D]} +6 C ux {4,[S,D,T,B,Q]} +7 C ux r1 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 26, - label = "C=S_O", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_Sp-5R!H-4R!H", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 O2d u0 {1,D} -3 S u0 {1,D} +1 *1 C u0 {2,B} {4,[S,D,T,B,Q]} +2 *2 C u0 r1 {1,B} +3 *3 H u[1,2,3,4] +4 C ux {1,[S,D,T,B,Q]} {5,S} {6,B} +5 C u0 {4,S} +6 C ux {4,B} """, kinetics = None, ) entry( index = 27, - label = "Cdd_Od-N3d", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_Sp-5R!H-4R!H_Ext-5R!H-R", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 O2d u0 {1,D} -3 N3d u0 {1,D} +1 *1 C u0 r1 {2,B} {4,[S,D,T,B,Q]} +2 *2 C u0 r1 {1,B} +3 *3 H u[1,2,3,4] +4 C ux r1 {1,[S,D,T,B,Q]} {5,S} {6,B} +5 C u0 r0 {4,S} {7,[S,D,T,B,Q]} +6 C ux r1 {4,B} +7 R!H ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 28, - label = "CO_O", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_N-Sp-5R!H-4R!H", group = """ -1 *1 CO u0 {2,D} -2 *2 O2d u0 {1,D} +1 *1 C u0 {2,B} {4,[S,D,T,B,Q]} +2 *2 C u0 r1 {1,B} +3 *3 H u[1,2,3,4] +4 C ux {1,[S,D,T,B,Q]} {5,[B,D,T,Q]} {6,B} +5 C u0 {4,[B,D,T,Q]} +6 C ux {4,B} """, kinetics = None, ) entry( index = 29, - label = "CO-HH_O", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_N-Sp-5R!H-4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R", group = """ -1 *1 CO u0 {2,D} {3,S} {4,S} -2 *2 O2d u0 {1,D} -3 H u0 {1,S} -4 H u0 {1,S} +1 *1 C u0 r1 {2,B} {4,[S,D,T,B,Q]} +2 *2 C u0 r1 {1,B} {7,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C ux r1 {1,[S,D,T,B,Q]} {5,[B,D,T,Q]} {6,B} +5 C u0 r1 {4,[B,D,T,Q]} +6 C ux r1 {4,B} +7 C ux r1 {2,[S,D,T,B,Q]} {8,B} +8 C u0 r1 {7,B} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 30, - label = "CO-NdH_O", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H=4R!H", group = """ -1 *1 CO u0 {2,D} {3,S} {4,S} -2 *2 O2d u0 {1,D} -3 H u0 {1,S} -4 [Cs,O2s,S2s] u0 {1,S} +1 *1 R!H u0 {2,B} {4,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r1 {1,B} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,D} +5 R!H ux {4,D} """, kinetics = None, ) entry( index = 31, - label = "CO-CsH_O", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H=4R!H_4R!H-inRing", group = """ -1 *1 CO u0 {2,D} {3,S} {4,S} -2 *2 O2d u0 {1,D} -3 H u0 {1,S} -4 Cs u0 {1,S} +1 *1 C u0 r1 {2,B} {4,S} +2 *2 C u0 r1 {1,B} +3 *3 H u1 r0 +4 C u0 r1 {1,S} {5,D} +5 C u0 r1 {4,D} """, kinetics = None, ) entry( index = 32, - label = "CO-DeH_O", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H=4R!H_N-4R!H-inRing", group = """ -1 *1 CO u0 {2,D} {3,S} {4,S} -2 *2 O2d u0 {1,D} -3 H u0 {1,S} -4 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} +1 *1 R!H u0 {2,B} {4,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r1 {1,B} +3 *3 H u[1,2,3,4] +4 R!H ux r0 {1,[S,D,T,B,Q]} {5,D} +5 R!H ux {4,D} """, kinetics = None, ) entry( index = 33, - label = "CO-CdH_O", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R", group = """ -1 *1 CO u0 {2,D} {3,S} {4,S} -2 *2 O2d u0 {1,D} -3 H u0 {1,S} -4 Cd u0 {1,S} +1 *1 R!H u0 {2,B} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r1 {1,B} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} +5 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 34, - label = "CO-CtH_O", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_Sp-4R!H-1R!H", group = """ -1 *1 CO u0 {2,D} {3,S} {4,S} -2 *2 O2d u0 {1,D} -3 H u0 {1,S} -4 Ct u0 {1,S} +1 *1 R!H u0 {2,B} {4,S} {5,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r1 {1,B} +3 *3 H u[1,2,3,4] +4 R!H ux {1,S} +5 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 35, - label = "CO-NdNd_O", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_Sp-4R!H-1R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R", group = """ -1 *1 CO u0 {2,D} {3,S} {4,S} -2 *2 O2d u0 {1,D} -3 [Cs,O2s,S2s] u0 {1,S} -4 [Cs,O2s,S2s] u0 {1,S} +1 *1 R!H u0 {2,B} {4,S} {5,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r1 {1,B} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,S} +5 R!H ux {1,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 36, - label = "CO-CsCs_O", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_Sp-4R!H-1R!H_4R!H-inRing", group = """ -1 *1 CO u0 {2,D} {3,S} {4,S} -2 *2 O2d u0 {1,D} -3 Cs u0 {1,S} -4 Cs u0 {1,S} +1 *1 C u0 r1 {2,B} {4,S} {5,B} +2 *2 C u0 r1 {1,B} +3 *3 H u1 r0 +4 C u0 r1 {1,S} +5 C u0 r1 {1,B} """, kinetics = None, ) entry( index = 37, - label = "CO-DeNd_O", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_Sp-4R!H-1R!H_N-4R!H-inRing", group = """ -1 *1 CO u0 {2,D} {3,S} {4,S} -2 *2 O2d u0 {1,D} -3 [Cs,O2s,S2s] u0 {1,S} -4 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} +1 *1 C u0 {2,B} {4,S} {5,B} +2 *2 C u0 r1 {1,B} +3 *3 H u1 +4 C u0 r0 {1,S} +5 C u0 {1,B} """, kinetics = None, ) entry( index = 38, - label = "CO-CdCs_O", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_Sp-4R!H-1R!H_N-4R!H-inRing_Ext-4R!H-R", group = """ -1 *1 CO u0 {2,D} {3,S} {4,S} -2 *2 O2d u0 {1,D} -3 Cs u0 {1,S} -4 Cd u0 {1,S} +1 *1 C u0 r1 {2,B} {4,S} {5,B} +2 *2 C u0 r1 {1,B} +3 *3 H u1 r0 +4 C u0 r0 {1,S} {6,[S,D,T,B,Q]} +5 C u0 r1 {1,B} +6 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 39, - label = "CO-CtCs_O", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_N-Sp-4R!H-1R!H", group = """ -1 *1 CO u0 {2,D} {3,S} {4,S} -2 *2 O2d u0 {1,D} -3 Cs u0 {1,S} -4 Ct u0 {1,S} +1 *1 R!H u0 {2,B} {4,B} {5,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r1 {1,B} +3 *3 H u[1,2,3,4] +4 R!H ux {1,B} +5 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 40, - label = "CO-DeDe_O", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_N-Sp-4R!H-1R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R", group = """ -1 *1 CO u0 {2,D} {3,S} {4,S} -2 *2 O2d u0 {1,D} -3 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -4 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} +1 *1 R!H u0 {2,B} {4,B} {5,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r1 {1,B} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,B} +5 R!H ux {1,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 41, - label = "Cdd_Sd", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_Sp-4R!H-2COS", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 S2d u0 p2 {1,D} -3 R!H u0 {1,D} +1 *1 R!H u0 {2,B} +2 *2 [O,S,C] u0 r1 {1,B} {4,S} +3 *3 H u[1,2,3,4] +4 R!H ux {2,S} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 42, - label = "Cdd-Sd_Sd", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-4R!H-2COS", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 S2d u0 p2 {1,D} -3 S2d u0 p2 {1,D} +1 *1 R!H u0 {2,B} +2 *2 [O,S,C] u0 r1 {1,B} {4,B} +3 *3 H u[1,2,3,4] +4 R!H ux {2,B} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 43, - label = "Cds_Cdd", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-4R!H-2COS_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Int-7R!H-6R!H_Ext-7R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cdd u0 {1,D} -3 R ux {1,S} -4 R ux {1,S} +1 *1 R!H u0 {2,B} +2 *2 [O,S,C] u0 r1 {1,B} {4,B} +3 *3 H u[1,2,3,4] +4 R!H ux {2,B} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 44, - label = "Cds_Ca", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-4R!H-2COS_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Int-7R!H-6R!H_Ext-7R!H-R_Int-8R!H-2COS", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cdd u0 {1,D} {5,D} -3 R ux {1,S} -4 R ux {1,S} -5 C u0 {2,D} +1 *1 R!H u0 {2,B} +2 *2 [O,S,C] u0 r1 {1,B} {4,B} {8,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {2,B} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 45, - label = "Cds-HH_Ca", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-4R!H-2COS_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Int-7R!H-6R!H_Ext-7R!H-R_Int-8R!H-2COS_Ext-5R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cdd u0 {1,D} {5,D} -3 H u0 {1,S} -4 H u0 {1,S} -5 C u0 {2,D} +1 *1 R!H u0 {2,B} +2 *2 [O,S,C] u0 r1 {1,B} {4,B} {8,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {2,B} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +9 R!H ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 46, - label = "Cds-CsH_Ca", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-4R!H-2COS_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Int-7R!H-6R!H_Ext-7R!H-R_Int-8R!H-2COS_Ext-5R!H-R_Ext-8R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cdd u0 {1,D} {5,D} -3 H u0 {1,S} -4 Cs u0 {1,S} -5 C u0 {2,D} +1 *1 R!H u0 {2,B} +2 *2 [O,S,C] u0 r1 {1,B} {4,B} {8,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {2,B} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +9 R!H ux {5,[S,D,T,B,Q]} +10 R!H ux {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 47, - label = "Cds-CsCs_Ca", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-4R!H-2COS_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Int-7R!H-6R!H_Ext-7R!H-R_Ext-6R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cdd u0 {1,D} {5,D} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 C u0 {2,D} +1 *1 R!H u0 {2,B} +2 *2 [O,S,C] u0 r1 {1,B} {4,B} +3 *3 H u[1,2,3,4] +4 R!H ux {2,B} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +9 R!H ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 48, - label = "Cds-OneDeH_Ca", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-4R!H-2COS_Ext-2COS-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cdd u0 {1,D} {5,D} -3 H u0 {1,S} -4 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -5 C u0 {2,D} +1 *1 C u0 r1 {2,B} +2 *2 C u0 r1 {1,B} {4,B} {6,S} +3 *3 H u1 r0 +4 C u0 r1 {2,B} {5,B} +5 C u0 r1 {4,B} +6 C u0 r0 {2,S} """, kinetics = None, ) entry( index = 49, - label = "Cds-CtH_Ca", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-4R!H-2COS_Ext-5R!H-R_Ext-5R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cdd u0 {1,D} {5,D} -3 H u0 {1,S} -4 Ct u0 {1,S} -5 C u0 {2,D} +1 *1 R!H u0 {2,B} +2 *2 [O,S,C] u0 r1 {1,B} {4,B} +3 *3 H u[1,2,3,4] +4 R!H ux {2,B} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 50, - label = "Cds-CbH_Ca", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-4R!H-2COS_Ext-4R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cdd u0 {1,D} {5,D} -3 H u0 {1,S} -4 Cb u0 {1,S} -5 C u0 {2,D} +1 *1 R!H u0 {2,B} +2 *2 [O,S,C] u0 r1 {1,B} {4,B} +3 *3 H u[1,2,3,4] +4 R!H ux {2,B} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 51, - label = "Cds-COH_Ca", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-4R!H-2COS_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cdd u0 {1,D} {5,D} -3 H u0 {1,S} -4 CO u0 {1,S} -5 C u0 {2,D} +1 *1 R!H u0 {2,B} {6,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r1 {1,B} {4,B} +3 *3 H u[1,2,3,4] +4 R!H ux {2,B} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 52, - label = "Cds-CdH_Ca", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cdd u0 {1,D} {5,D} -3 Cd u0 {1,S} {6,D} -4 H u0 {1,S} -5 C u0 {2,D} -6 C u0 {3,D} +1 *1 R!H u0 {2,[D,T]} +2 *2 [O,S,C] u0 r1 {1,[D,T]} +3 *3 H u[1,2,3,4] """, kinetics = None, ) entry( index = 53, - label = "Cds-C=SH_Ca", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cdd u0 {1,D} {5,D} -3 H u0 {1,S} -4 CS u0 {1,S} -5 C u0 {2,D} +1 *1 R!H u0 r1 {2,[D,T]} +2 *2 [O,S,C] u0 r1 {1,[D,T]} +3 *3 H u[1,2,3,4] """, kinetics = None, ) entry( index = 54, - label = "Cds-OneDeCs_Ca", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cdd u0 {1,D} {5,D} -3 Cs u0 {1,S} -4 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -5 C u0 {2,D} +1 *1 R!H u0 r1 {2,[D,T]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r1 {1,[D,T]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} +5 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 55, - label = "Cds-CtCs_Ca", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cdd u0 {1,D} {5,D} -3 Cs u0 {1,S} -4 Ct u0 {1,S} -5 C u0 {2,D} +1 *1 R!H u0 r1 {2,[D,T]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r1 {1,[D,T]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux {1,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 56, - label = "Cds-CbCs_Ca", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_5R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cdd u0 {1,D} {5,D} -3 Cs u0 {1,S} -4 Cb u0 {1,S} -5 C u0 {2,D} +1 *1 R!H u0 r1 {2,[D,T]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r1 {1,[D,T]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 57, - label = "Cds-COCs_Ca", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_5R!H-inRing_Ext-5R!H-R_Ext-9R!H-R_Ext-8R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cdd u0 {1,D} {5,D} -3 Cs u0 {1,S} -4 CO u0 {1,S} -5 C u0 {2,D} +1 *1 R!H u0 r1 {2,[D,T]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r1 {1,[D,T]} {9,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +10 R!H ux {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 58, - label = "Cds-CdCs_Ca", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_5R!H-inRing_Ext-5R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-4R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cdd u0 {1,D} {5,D} -3 Cd u0 {1,S} {6,D} -4 Cs u0 {1,S} -5 C u0 {2,D} -6 C u0 {3,D} +1 *1 R!H u0 r1 {2,[D,T]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r1 {1,[D,T]} {9,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +10 R!H ux {8,[S,D,T,B,Q]} +11 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 59, - label = "Cds-C=SCs_Ca", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_5R!H-inRing_Ext-5R!H-R_Sp-9R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cdd u0 {1,D} {5,D} -3 Cs u0 {1,S} -4 CS u0 {1,S} -5 C u0 {2,D} +1 *1 R!H u0 r1 {2,[D,T]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r1 {1,[D,T]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux r1 {1,[S,D,T,B,Q]} {9,D} +6 R!H ux {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +9 R!H ux {5,D} """, kinetics = None, ) entry( index = 60, - label = "Cds-TwoDe_Ca", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_5R!H-inRing_Ext-5R!H-R_Sp-9R!H=5R!H_Ext-2COS-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cdd u0 {1,D} {5,D} -3 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -4 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -5 C u0 {2,D} +1 *1 R!H u0 r1 {2,[D,T]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r1 {1,[D,T]} {10,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux r1 {1,[S,D,T,B,Q]} {9,D} +6 R!H ux {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +9 R!H ux {5,D} +10 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 61, - label = "Cds-CtCt_Ca", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_5R!H-inRing_Ext-5R!H-R_N-Sp-9R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cdd u0 {1,D} {5,D} -3 Ct u0 {1,S} -4 Ct u0 {1,S} -5 C u0 {2,D} +1 *1 R!H u0 r1 {2,[D,T]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r1 {1,[D,T]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux r1 {1,[S,D,T,B,Q]} {9,[S,T,Q,B]} +6 R!H ux {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +9 R!H ux {5,[S,T,Q,B]} """, kinetics = None, ) entry( index = 62, - label = "Cds-CtCb_Ca", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-5R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cdd u0 {1,D} {5,D} -3 Ct u0 {1,S} -4 Cb u0 {1,S} -5 C u0 {2,D} +1 *1 R!H u0 r1 {2,[D,T]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r1 {1,[D,T]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux r0 {1,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 63, - label = "Cds-CtCO_Ca", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-5R!H-inRing_Ext-4R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cdd u0 {1,D} {5,D} -3 Ct u0 {1,S} -4 CO u0 {1,S} -5 C u0 {2,D} +1 *1 R!H u0 r1 {2,[D,T]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r1 {1,[D,T]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +5 R!H ux r0 {1,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +9 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 64, - label = "Cds-CbCb_Ca", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cdd u0 {1,D} {5,D} -3 Cb u0 {1,S} -4 Cb u0 {1,S} -5 C u0 {2,D} +1 *1 R!H u0 r1 {2,[D,T]} +2 *2 [O,S,C] u0 r1 {1,[D,T]} {4,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {2,[S,D,T,B,Q]} {5,D} +5 R!H ux {4,D} """, kinetics = None, ) entry( index = 65, - label = "Cds-CbCO_Ca", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2COS-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cdd u0 {1,D} {5,D} -3 Cb u0 {1,S} -4 CO u0 {1,S} -5 C u0 {2,D} +1 *1 R!H u0 r1 {2,[D,T]} +2 *2 [O,S,C] u0 r1 {1,[D,T]} {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {2,[S,D,T,B,Q]} {5,D} +5 R!H ux {4,D} +6 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 66, - label = "Cds-COCO_Ca", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2COS-R_Ext-4R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cdd u0 {1,D} {5,D} -3 CO u0 {1,S} -4 CO u0 {1,S} -5 C u0 {2,D} +1 *1 R!H u0 r1 {2,[D,T]} +2 *2 [O,S,C] u0 r1 {1,[D,T]} {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {2,[S,D,T,B,Q]} {5,D} {7,[S,D,T,B,Q]} +5 R!H ux {4,D} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 67, - label = "Cds-CdCt_Ca", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cdd u0 {1,D} {5,D} -3 Cd u0 {1,S} {6,D} -4 Ct u0 {1,S} -5 C u0 {2,D} -6 C u0 {3,D} +1 *1 R!H u0 r1 {2,[D,T]} {6,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r1 {1,[D,T]} {4,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {2,[S,D,T,B,Q]} {5,D} +5 R!H ux {4,D} +6 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 68, - label = "Cds-CdCb_Ca", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cdd u0 {1,D} {5,D} -3 Cd u0 {1,S} {6,D} -4 Cb u0 {1,S} -5 C u0 {2,D} -6 C u0 {3,D} +1 *1 R!H u0 r1 {2,D} {6,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r1 {1,D} {4,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {2,[S,D,T,B,Q]} {5,D} +5 R!H ux {4,D} +6 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 69, - label = "Cds-CdCO_Ca", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-5R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cdd u0 {1,D} {5,D} -3 Cd u0 {1,S} {6,D} -4 CO u0 {1,S} -5 C u0 {2,D} -6 C u0 {3,D} +1 *1 R!H u0 r1 {2,D} {6,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r1 {1,D} {4,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {2,[S,D,T,B,Q]} {5,D} +5 R!H ux {4,D} {8,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 70, - label = "Cds-CtC=S_Ca", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-5R!H-R_Ext-5R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cdd u0 {1,D} {5,D} -3 Ct u0 {1,S} -4 CS u0 {1,S} -5 C u0 {2,D} +1 *1 R!H u0 r1 {2,D} {6,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r1 {1,D} {4,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {2,[S,D,T,B,Q]} {5,D} +5 R!H ux {4,D} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +9 R!H ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 71, - label = "Cds-CbC=S_Ca", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-5R!H-R_Ext-8R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cdd u0 {1,D} {5,D} -3 Cb u0 {1,S} -4 CS u0 {1,S} -5 C u0 {2,D} +1 *1 R!H u0 r1 {2,D} {6,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r1 {1,D} {4,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {2,[S,D,T,B,Q]} {5,D} +5 R!H ux {4,D} {8,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 72, - label = "Cds-COC=S_Ca", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-5R!H-R_Ext-8R!H-R_7R!H->C", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cdd u0 {1,D} {5,D} -3 CO u0 {1,S} -4 CS u0 {1,S} -5 C u0 {2,D} +1 *1 R!H u0 r1 {2,D} {6,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r1 {1,D} {4,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {2,[S,D,T,B,Q]} {5,D} +5 R!H ux {4,D} {8,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 73, - label = "Cds-CdCd_Ca", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-5R!H-R_Ext-8R!H-R_7R!H->C_Int-6R!H-5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cdd u0 {1,D} {5,D} -3 Cd u0 {1,S} {6,D} -4 Cd u0 {1,S} {7,D} -5 C u0 {2,D} -6 C u0 {3,D} -7 C u0 {4,D} +1 *1 R!H u0 r1 {2,D} {6,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r1 {1,D} {4,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {2,[S,D,T,B,Q]} {5,D} +5 R!H ux {4,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 74, - label = "Cds-CdC=S_Ca", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-5R!H-R_Ext-8R!H-R_N-7R!H->C", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cdd u0 {1,D} {5,D} -3 Cd u0 {1,S} {6,D} -4 CS u0 {1,S} -5 C u0 {2,D} -6 C u0 {3,D} +1 *1 R!H u0 r1 {2,D} {6,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r1 {1,D} {4,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {2,[S,D,T,B,Q]} {5,D} +5 R!H ux {4,D} {8,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 O ux {6,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 75, - label = "Cds-C=SC=S_Ca", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-7R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cdd u0 {1,D} {5,D} -3 CS u0 {1,S} -4 CS u0 {1,S} -5 C u0 {2,D} +1 *1 R!H u0 r1 {2,D} {6,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r1 {1,D} {4,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {2,[S,D,T,B,Q]} {5,D} +5 R!H ux {4,D} +6 R!H ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 76, - label = "Cds_Ck", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-7R!H-R_Int-8R!H-4R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cdd u0 {1,D} {5,D} -3 R ux {1,S} -4 R ux {1,S} -5 O2d u0 {2,D} +1 *1 R!H u0 r1 {2,D} {6,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r1 {1,D} {4,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {2,[S,D,T,B,Q]} {5,D} {8,[S,D,T,B,Q]} +5 R!H ux {4,D} +6 R!H ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 77, - label = "Cds-HH_Ck", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-7R!H-R_8R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cdd u0 {1,D} {5,D} -3 H u0 {1,S} -4 H u0 {1,S} -5 O2d u0 {2,D} +1 *1 R!H u0 r1 {2,D} {6,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r1 {1,D} {4,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {2,[S,D,T,B,Q]} {5,D} +5 R!H ux {4,D} +6 R!H ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux r1 {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 78, - label = "Cds-CsH_Ck", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-7R!H-R_8R!H-inRing_Ext-4R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cdd u0 {1,D} {5,D} -3 H u0 {1,S} -4 Cs u0 {1,S} -5 O2d u0 {2,D} +1 *1 R!H u0 r1 {2,D} {6,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r1 {1,D} {4,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {2,[S,D,T,B,Q]} {5,D} {9,[S,D,T,B,Q]} +5 R!H ux {4,D} +6 R!H ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux r1 {7,[S,D,T,B,Q]} +9 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 79, - label = "Cds-CsCs_Ck", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-7R!H-R_N-8R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cdd u0 {1,D} {5,D} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 O2d u0 {2,D} +1 *1 R!H u0 r1 {2,D} {6,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r1 {1,D} {4,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {2,[S,D,T,B,Q]} {5,D} +5 R!H ux {4,D} +6 R!H ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux r0 {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 80, - label = "Cds-OneDeH_Ck", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-7R!H-R_N-8R!H-inRing_Sp-7R!H-6R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cdd u0 {1,D} {5,D} -3 H u0 {1,S} -4 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -5 O2d u0 {2,D} +1 *1 R!H u0 r1 {2,D} {6,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r1 {1,D} {4,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {2,[S,D,T,B,Q]} {5,D} +5 R!H ux {4,D} +6 R!H ux {1,[S,D,T,B,Q]} {7,S} +7 R!H ux {6,S} {8,[S,D,T,B,Q]} +8 R!H ux r0 {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 81, - label = "Cds-OneDeCs_Ck", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-7R!H-R_N-8R!H-inRing_Sp-7R!H-6R!H_Int-6R!H-5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cdd u0 {1,D} {5,D} -3 Cs u0 {1,S} -4 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -5 O2d u0 {2,D} +1 *1 R!H u0 r1 {2,D} {6,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r1 {1,D} {4,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {2,[S,D,T,B,Q]} {5,D} +5 R!H ux {4,D} {6,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {7,S} +7 R!H ux {6,S} {8,[S,D,T,B,Q]} +8 R!H ux r0 {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 82, - label = "Cds-TwoDe_Ck", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-7R!H-R_N-8R!H-inRing_Sp-7R!H-6R!H_5R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cdd u0 {1,D} {5,D} -3 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -4 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -5 O2d u0 {2,D} +1 *1 R!H u0 r1 {2,D} {6,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r1 {1,D} {4,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {2,[S,D,T,B,Q]} {5,D} +5 R!H ux r1 {4,D} +6 R!H ux {1,[S,D,T,B,Q]} {7,S} +7 R!H ux {6,S} {8,[S,D,T,B,Q]} +8 R!H ux r0 {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 83, - label = "Cdd_Cds", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-7R!H-R_N-8R!H-inRing_Sp-7R!H-6R!H_N-5R!H-inRing", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cdd u0 {1,D} -3 R u0 {1,S} -4 R u0 {1,S} +1 *1 R!H u0 r1 {2,D} {6,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r1 {1,D} {4,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {2,[S,D,T,B,Q]} {5,D} +5 R!H ux r0 {4,D} +6 R!H ux {1,[S,D,T,B,Q]} {7,S} +7 R!H ux {6,S} {8,[S,D,T,B,Q]} +8 R!H ux r0 {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 84, - label = "Ca_Cds", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-7R!H-R_N-8R!H-inRing_N-Sp-7R!H-6R!H", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cdd u0 {1,D} {5,D} -3 R u0 {1,S} -4 R u0 {1,S} -5 C u0 {2,D} +1 *1 R!H u0 r1 {2,D} {6,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r1 {1,D} {4,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {2,[S,D,T,B,Q]} {5,D} +5 R!H ux {4,D} +6 R!H ux {1,[S,D,T,B,Q]} {7,[B,D]} +7 R!H ux {6,[B,D]} {8,[S,D,T,B,Q]} +8 R!H ux r0 {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 85, - label = "Ca_Cds-HH", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-4R!H-R", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cdd u0 {1,D} {5,D} -3 H u0 {1,S} -4 H u0 {1,S} -5 C u0 {2,D} +1 *1 R!H u0 r1 {2,D} {6,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r1 {1,D} {4,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {2,[S,D,T,B,Q]} {5,D} {7,[S,D,T,B,Q]} +5 R!H ux {4,D} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 86, - label = "Ca-Cdd_Cds-HH", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_N-Sp-2COS=1R!H", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cdd u0 {1,D} {5,D} -3 H u0 {1,S} -4 H u0 {1,S} -5 Cdd u0 {2,D} +1 *1 R!H u0 r1 {2,T} {6,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r1 {1,T} {4,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {2,[S,D,T,B,Q]} {5,D} +5 R!H ux {4,D} +6 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 87, - label = "Ca_Cds-CsH", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_N-Sp-2COS=1R!H_Ext-4R!H-R", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cdd u0 {1,D} {5,D} -3 Cs u0 {1,S} -4 H u0 {1,S} -5 C u0 {2,D} +1 *1 R!H u0 r1 {2,T} {6,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r1 {1,T} {4,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {2,[S,D,T,B,Q]} {5,D} {7,[S,D,T,B,Q]} +5 R!H ux {4,D} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 88, - label = "Ca_Cds-CsCs", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_N-Sp-2COS=1R!H_Ext-4R!H-R_5R!H-inRing", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cdd u0 {1,D} {5,D} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 C u0 {2,D} +1 *1 R!H u0 r1 {2,T} {6,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r1 {1,T} {4,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {2,[S,D,T,B,Q]} {5,D} {7,[S,D,T,B,Q]} +5 R!H ux r1 {4,D} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 89, - label = "Ca_Cds-OneDeH", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_N-Sp-2COS=1R!H_Ext-4R!H-R_N-5R!H-inRing", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cdd u0 {1,D} {5,D} -3 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -4 H u0 {1,S} -5 C u0 {2,D} +1 *1 R!H u0 r1 {2,T} {6,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r1 {1,T} {4,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {2,[S,D,T,B,Q]} {5,D} {7,[S,D,T,B,Q]} +5 R!H ux r0 {4,D} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 90, - label = "Ca_Cds-CtH", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 C u0 {1,D} -4 Ct u0 {2,S} -5 H u0 {2,S} +1 *1 R!H u0 r1 {2,[D,T]} +2 *2 [O,S,C] u0 r1 {1,[D,T]} {4,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {2,[S,D,T,B,Q]} {5,[S,T,Q,B]} +5 R!H ux {4,[S,T,Q,B]} """, kinetics = None, ) entry( index = 91, - label = "Ca_Cds-CbH", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 C u0 {1,D} -4 Cb u0 {2,S} -5 H u0 {2,S} +1 *1 R!H u0 r1 {2,[D,T]} {6,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r1 {1,[D,T]} {4,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {2,[S,D,T,B,Q]} {5,[S,T,Q,B]} +5 R!H ux {4,[S,T,Q,B]} +6 R!H ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 92, - label = "Ca_Cds-COH", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-5R!H-4R!H", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 C u0 {1,D} -4 CO u0 {2,S} -5 H u0 {2,S} +1 *1 R!H u0 r1 {2,[D,T]} {6,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r1 {1,[D,T]} {4,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {2,[S,D,T,B,Q]} {5,S} +5 R!H ux {4,S} +6 R!H ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 93, - label = "Ca_Cds-CdH", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-5R!H-4R!H_Sp-4R!H-2COS", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 C u0 {1,D} -4 Cd u0 {2,S} {6,D} -5 H u0 {2,S} -6 C u0 {4,D} +1 *1 R!H u0 r1 {2,[D,T]} {6,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r1 {1,[D,T]} {4,S} +3 *3 H u[1,2,3,4] +4 R!H ux {2,S} {5,S} +5 R!H ux {4,S} +6 R!H ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 94, - label = "Ca_Cds-C=SH", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-5R!H-4R!H_Sp-4R!H-2COS_7R!H-inRing", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 C u0 {1,D} -4 CS u0 {2,S} -5 H u0 {2,S} +1 *1 R!H u0 r1 {2,[D,T]} {6,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r1 {1,[D,T]} {4,S} +3 *3 H u[1,2,3,4] +4 R!H ux {2,S} {5,S} +5 R!H ux {4,S} +6 R!H ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux r1 {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 95, - label = "Ca_Cds-OneDeCs", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-5R!H-4R!H_Sp-4R!H-2COS_7R!H-inRing_5R!H-inRing", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cdd u0 {1,D} {5,D} -3 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -4 Cs u0 {1,S} -5 C u0 {2,D} +1 *1 R!H u0 r1 {2,[D,T]} {6,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r1 {1,[D,T]} {4,S} +3 *3 H u[1,2,3,4] +4 R!H ux {2,S} {5,S} +5 R!H ux r1 {4,S} +6 R!H ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux r1 {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 96, - label = "Ca_Cds-CtCs", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-5R!H-4R!H_Sp-4R!H-2COS_7R!H-inRing_5R!H-inRing_Sp-7R!H=6R!H", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 C u0 {1,D} -4 Ct u0 {2,S} -5 Cs u0 {2,S} +1 *1 R!H u0 r1 {2,[D,T]} {6,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r1 {1,[D,T]} {4,S} +3 *3 H u[1,2,3,4] +4 R!H ux {2,S} {5,S} +5 R!H ux r1 {4,S} +6 R!H ux {1,[S,D,T,B,Q]} {7,D} +7 R!H ux r1 {6,D} """, kinetics = None, ) entry( index = 97, - label = "Ca_Cds-CbCs", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-5R!H-4R!H_Sp-4R!H-2COS_7R!H-inRing_5R!H-inRing_Sp-7R!H=6R!H_Ext-5R!H-R", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 C u0 {1,D} -4 Cb u0 {2,S} -5 Cs u0 {2,S} +1 *1 R!H u0 r1 {2,[D,T]} {6,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r1 {1,[D,T]} {4,S} +3 *3 H u[1,2,3,4] +4 R!H ux {2,S} {5,S} +5 R!H ux r1 {4,S} {8,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} {7,D} +7 R!H ux r1 {6,D} +8 R!H ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 98, - label = "Ca_Cds-COCs", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-5R!H-4R!H_Sp-4R!H-2COS_7R!H-inRing_5R!H-inRing_N-Sp-7R!H=6R!H", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 C u0 {1,D} -4 CO u0 {2,S} -5 Cs u0 {2,S} +1 *1 R!H u0 r1 {2,[D,T]} {6,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r1 {1,[D,T]} {4,S} +3 *3 H u[1,2,3,4] +4 R!H ux {2,S} {5,S} +5 R!H ux r1 {4,S} +6 R!H ux {1,[S,D,T,B,Q]} {7,[S,B]} +7 R!H ux r1 {6,[S,B]} """, kinetics = None, ) entry( index = 99, - label = "Ca_Cds-CdCs", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-5R!H-4R!H_Sp-4R!H-2COS_7R!H-inRing_5R!H-inRing_N-Sp-7R!H=6R!H_Ext-4R!H-R", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 C u0 {1,D} -4 Cd u0 {2,S} {6,D} -5 Cs u0 {2,S} -6 C u0 {4,D} +1 *1 R!H u0 r1 {2,[D,T]} {6,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r1 {1,[D,T]} {4,S} +3 *3 H u[1,2,3,4] +4 R!H ux {2,S} {5,S} {8,[S,D,T,B,Q]} +5 R!H ux r1 {4,S} +6 R!H ux {1,[S,D,T,B,Q]} {7,[S,B]} +7 R!H ux r1 {6,[S,B]} +8 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 100, - label = "Ca_Cds-C=SCs", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-5R!H-4R!H_Sp-4R!H-2COS_7R!H-inRing_5R!H-inRing_N-Sp-7R!H=6R!H_Ext-5R!H-R", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 C u0 {1,D} -4 CS u0 {2,S} -5 Cs u0 {2,S} +1 *1 R!H u0 r1 {2,[D,T]} {6,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r1 {1,[D,T]} {4,S} +3 *3 H u[1,2,3,4] +4 R!H ux {2,S} {5,S} +5 R!H ux r1 {4,S} {8,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} {7,[S,B]} +7 R!H ux r1 {6,[S,B]} +8 R!H ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 101, - label = "Ca_Cds-TwoDe", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-5R!H-4R!H_Sp-4R!H-2COS_7R!H-inRing_Ext-2COS-R", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cdd u0 {1,D} {5,D} -3 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -4 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -5 C u0 {2,D} +1 *1 R!H u0 r1 {2,[D,T]} {6,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r1 {1,[D,T]} {4,S} {8,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {2,S} {5,S} +5 R!H ux {4,S} +6 R!H ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux r1 {6,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 102, - label = "Ca_Cds-CtCt", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-5R!H-4R!H_Sp-4R!H-2COS_N-7R!H-inRing", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 C u0 {1,D} -4 Ct u0 {2,S} -5 Ct u0 {2,S} +1 *1 R!H u0 r1 {2,[D,T]} {6,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r1 {1,[D,T]} {4,S} +3 *3 H u[1,2,3,4] +4 R!H ux {2,S} {5,S} +5 R!H ux {4,S} +6 R!H ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux r0 {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 103, - label = "Ca_Cds-CtCb", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-5R!H-4R!H_Sp-4R!H-2COS_N-7R!H-inRing_Ext-2COS-R", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 C u0 {1,D} -4 Ct u0 {2,S} -5 Cb u0 {2,S} +1 *1 R!H u0 r1 {2,[D,T]} {6,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r1 {1,[D,T]} {4,S} {8,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {2,S} {5,S} +5 R!H ux {4,S} +6 R!H ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux r0 {6,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 104, - label = "Ca_Cds-CtCO", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-5R!H-4R!H_N-Sp-4R!H-2COS", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 C u0 {1,D} -4 Ct u0 {2,S} -5 CO u0 {2,S} +1 *1 R!H u0 r1 {2,[D,T]} {6,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r1 {1,[D,T]} {4,D} +3 *3 H u[1,2,3,4] +4 R!H ux {2,D} {5,S} +5 R!H ux {4,S} +6 R!H ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 105, - label = "Ca_Cds-CbCb", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 C u0 {1,D} -4 Cb u0 {2,S} -5 Cb u0 {2,S} +1 *1 R!H u0 r1 {2,[D,T]} {6,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r1 {1,[D,T]} {4,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {2,[S,D,T,B,Q]} {5,[S,T,Q,B]} +5 R!H ux {4,[S,T,Q,B]} +6 R!H ux {1,[S,D,T,B,Q]} {7,D} +7 R!H ux {6,D} """, kinetics = None, ) entry( index = 106, - label = "Ca_Cds-CbCO", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Sp-2COS=1R!H", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 C u0 {1,D} -4 Cb u0 {2,S} -5 CO u0 {2,S} +1 *1 R!H u0 r1 {2,D} {6,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r1 {1,D} {4,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {2,[S,D,T,B,Q]} {5,[S,T,Q,B]} +5 R!H ux {4,[S,T,Q,B]} +6 R!H ux {1,[S,D,T,B,Q]} {7,D} +7 R!H ux {6,D} """, kinetics = None, ) entry( index = 107, - label = "Ca_Cds-COCO", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-Sp-2COS=1R!H", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 C u0 {1,D} -4 CO u0 {2,S} -5 CO u0 {2,S} +1 *1 R!H u0 r1 {2,T} {6,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r1 {1,T} {4,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {2,[S,D,T,B,Q]} {5,[S,T,Q,B]} +5 R!H ux {4,[S,T,Q,B]} +6 R!H ux {1,[S,D,T,B,Q]} {7,D} +7 R!H ux {6,D} """, kinetics = None, ) entry( index = 108, - label = "Ca_Cds-CdCt", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 C u0 {1,D} -4 Cd u0 {2,S} {6,D} -5 Ct u0 {2,S} -6 C u0 {4,D} +1 *1 R!H u0 r1 {2,[D,T]} {6,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r1 {1,[D,T]} {4,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {2,[S,D,T,B,Q]} {5,[S,T,Q,B]} +5 R!H ux {4,[S,T,Q,B]} +6 R!H ux {1,[S,D,T,B,Q]} {7,[S,T,Q,B]} +7 R!H ux {6,[S,T,Q,B]} """, kinetics = None, ) entry( index = 109, - label = "Ca_Cds-CdCb", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-4R!H-R", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 C u0 {1,D} -4 Cd u0 {2,S} {6,D} -5 Cb u0 {2,S} -6 C u0 {4,D} +1 *1 C u0 r1 {2,[D,T]} {6,[S,D,T,B,Q]} +2 *2 C u0 r1 {1,[D,T]} {4,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C ux {2,[S,D,T,B,Q]} {5,[S,T,Q,B]} {8,[S,D,T,B,Q]} +5 C ux {4,[S,T,Q,B]} +6 C ux {1,[S,D,T,B,Q]} {7,[S,T,Q,B]} +7 C ux {6,[S,T,Q,B]} +8 C ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 110, - label = "Ca_Cds-CdCO", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-4R!H-R_Int-6R!H-5R!H", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 C u0 {1,D} -4 Cd u0 {2,S} {6,D} -5 CO u0 {2,S} -6 C u0 {4,D} +1 *1 C u0 r1 {2,[D,T]} {6,[S,D,T,B,Q]} +2 *2 C u0 r1 {1,[D,T]} {4,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C ux {2,[S,D,T,B,Q]} {5,[S,T,Q,B]} {8,[S,D,T,B,Q]} +5 C ux {4,[S,T,Q,B]} {6,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {7,[S,T,Q,B]} +7 C ux {6,[S,T,Q,B]} +8 C ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 111, - label = "Ca_Cds-CtC=S", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-4R!H-R_Int-6R!H-5R!H_Sp-6R!H-5R!H", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 C u0 {1,D} -4 Ct u0 {2,S} -5 CS u0 {2,S} +1 *1 C u0 r1 {2,[D,T]} {6,[S,D,T,B,Q]} +2 *2 C u0 r1 {1,[D,T]} {4,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C ux r1 {2,[S,D,T,B,Q]} {5,[S,T,Q,B]} {8,[S,D,T,B,Q]} +5 C ux r1 {4,[S,T,Q,B]} {6,S} +6 C ux r1 {1,[S,D,T,B,Q]} {5,S} {7,[S,T,Q,B]} +7 C ux {6,[S,T,Q,B]} +8 C ux r1 {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 112, - label = "Ca_Cds-CbC=S", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-4R!H-R_Int-6R!H-5R!H_N-Sp-6R!H-5R!H", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 C u0 {1,D} -4 Cb u0 {2,S} -5 CS u0 {2,S} +1 *1 C u0 r1 {2,[D,T]} {6,[S,D,T,B,Q]} +2 *2 C u0 r1 {1,[D,T]} {4,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C ux r1 {2,[S,D,T,B,Q]} {5,[S,T,Q,B]} {8,[S,D,T,B,Q]} +5 C ux r1 {4,[S,T,Q,B]} {6,[B,D,T,Q]} +6 C ux r1 {1,[S,D,T,B,Q]} {5,[B,D,T,Q]} {7,[S,T,Q,B]} +7 C ux {6,[S,T,Q,B]} +8 C ux r1 {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 113, - label = "Ca_Cds-COC=S", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-5R!H-R_Ext-1R!H-R", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 C u0 {1,D} -4 CO u0 {2,S} -5 CS u0 {2,S} +1 *1 R!H u0 r1 {2,[D,T]} {7,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r1 {1,[D,T]} {4,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {2,[S,D,T,B,Q]} {5,[S,T,Q,B]} +5 R!H ux {4,[S,T,Q,B]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 114, - label = "Ca_Cds-CdCd", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-5R!H-R_Ext-1R!H-R_Ext-2COS-R", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 C u0 {1,D} -4 Cd u0 {2,S} {6,D} -5 Cd u0 {2,S} {7,D} -6 C u0 {4,D} -7 C u0 {5,D} +1 *1 R!H u0 r1 {2,[D,T]} {7,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r1 {1,[D,T]} {4,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {2,[S,D,T,B,Q]} {5,[S,T,Q,B]} +5 R!H ux {4,[S,T,Q,B]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 115, - label = "Ca_Cds-CdCdCdCdCd_cycle", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_N-1R!H-inRing", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 C u0 {1,D} -4 Cd u0 {2,S} {6,D} -5 Cd u0 {2,S} {7,D} {9,S} -6 Cd u0 {4,D} {8,S} -7 C u0 {5,D} -8 Cd u0 {6,S} {9,D} -9 Cd u0 {5,S} {8,D} +1 *1 R!H u0 r0 {2,[D,T]} +2 *2 [O,S,C] u0 r1 {1,[D,T]} +3 *3 H u[1,2,3,4] """, kinetics = None, ) entry( index = 116, - label = "Ca_Cds-CdC=S", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_N-1R!H-inRing_Ext-1R!H-R", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 C u0 {1,D} -4 Cd u0 {2,S} {6,D} -5 CS u0 {2,S} -6 C u0 {4,D} +1 *1 R!H u0 r0 {2,[D,T]} {4,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r1 {1,[D,T]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 117, - label = "Ca_Cds-C=SC=S", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_N-1R!H-inRing_Ext-1R!H-R_Ext-2COS-R_Ext-5R!H-R_Ext-5R!H-R", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 C u0 {1,D} -4 CS u0 {2,S} -5 CS u0 {2,S} +1 *1 R!H u0 r0 {2,[D,T]} {4,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r1 {1,[D,T]} {5,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} +5 R!H ux {2,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 118, - label = "Ck_Cds", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_N-1R!H-inRing_Ext-2COS-R_Ext-4R!H-R_Ext-2COS-R", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 O2d u0 {1,D} -4 R u0 {2,S} -5 R u0 {2,S} +1 *1 R!H u0 r0 {2,[D,T]} +2 *2 [O,S,C] u0 r1 {1,[D,T]} {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {2,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 119, - label = "Ck_Cds-HH", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_N-1R!H-inRing_Ext-2COS-R_Ext-4R!H-R_Ext-2COS-R_Ext-6R!H-R_Ext-5R!H-R", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 O2d u0 {1,D} -4 H u0 {2,S} -5 H u0 {2,S} +1 *1 R!H u0 r0 {2,[D,T]} +2 *2 [O,S,C] u0 r1 {1,[D,T]} {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {2,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 120, - label = "Ck_Cds-CsH", + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_N-1R!H-inRing_Ext-2COS-R_Ext-4R!H-R_Ext-2COS-R_Ext-6R!H-R_Ext-5R!H-R_Ext-4R!H-R", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 O2d u0 {1,D} -4 Cs u0 {2,S} -5 H u0 {2,S} +1 *1 R!H u0 r0 {2,[D,T]} +2 *2 [O,S,C] u0 r1 {1,[D,T]} {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {2,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +9 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 121, - label = "Ck_Cds-CsCs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 O2d u0 {1,D} -4 Cs u0 {2,S} -5 Cs u0 {2,S} +1 *1 R!H u0 {2,[D,T,B]} +2 *2 [O,S,C] u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] """, kinetics = None, ) entry( index = 122, - label = "Ck_Cds-OneDeH", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_1R!H->N", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 O2d u0 {1,D} -4 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} -5 H u0 {2,S} +1 *1 N u0 {2,[D,T,B]} +2 *2 [O,S,C] u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] """, kinetics = None, ) entry( index = 123, - label = "Ck_Cds-CtH", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_1R!H->N_Sp-2COS=1N", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 O2d u0 {1,D} -4 Ct u0 {2,S} -5 H u0 {2,S} +1 *1 N u0 r0 {2,D} +2 *2 C u0 r0 {1,D} +3 *3 H u1 r0 """, kinetics = None, ) entry( index = 124, - label = "Ck_Cds-CbH", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_1R!H->N_N-Sp-2COS=1N", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 O2d u0 {1,D} -4 Cb u0 {2,S} -5 H u0 {2,S} +1 *1 N u0 {2,T} +2 *2 [O,S,C] u0 r0 {1,T} +3 *3 H u[1,2,3,4] """, kinetics = None, ) entry( index = 125, - label = "Ck_Cds-COH", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 O2d u0 {1,D} -4 CO u0 {2,S} -5 H u0 {2,S} +1 *1 [O,S,C] u0 {2,[D,T,B]} +2 *2 [O,S,C] u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] """, kinetics = None, ) entry( index = 126, - label = "Ck_Cds-CdH", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 O2d u0 {1,D} -4 Cd u0 {2,S} {6,D} -5 H u0 {2,S} -6 C u0 {4,D} +1 *1 [O,S,C] u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 127, - label = "Ck_Cds-C=SH", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 O2d u0 {1,D} -4 CS u0 {2,S} -5 H u0 {2,S} +1 *1 [O,S,C] u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 R!H ux r0 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 128, - label = "Ck_Cds-OneDeCs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 O2d u0 {1,D} -4 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} -5 Cs u0 {2,S} +1 *1 [O,S,C] u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 129, - label = "Ck_Cds-CtCs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 O2d u0 {1,D} -4 Ct u0 {2,S} -5 Cs u0 {2,S} +1 *1 [O,S,C] u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,[D,T,B]} {5,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} +5 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 130, - label = "Ck_Cds-CbCs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 O2d u0 {1,D} -4 Cb u0 {2,S} -5 Cs u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} +5 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 131, - label = "Ck_Cds-COCs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 O2d u0 {1,D} -4 CO u0 {2,S} -5 Cs u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} +5 R!H ux r0 {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 132, - label = "Ck_Cds-CdCs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 O2d u0 {1,D} -4 Cd u0 {2,S} {6,D} -5 Cs u0 {2,S} -6 C u0 {4,D} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} +5 R!H ux r0 {2,S} """, kinetics = None, ) entry( index = 133, - label = "Ck_Cds-C=SCs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 O2d u0 {1,D} -4 CS u0 {2,S} -5 Cs u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} +5 R!H ux r0 {2,S} +6 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 134, - label = "Ck_Cds-TwoDe", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 O2d u0 {1,D} -4 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} -5 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} +5 R!H ux r0 {2,S} {7,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 135, - label = "Ck_Cds-CtCt", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 O2d u0 {1,D} -4 Ct u0 {2,S} -5 Ct u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} +5 R!H ux r0 {2,S} {7,T} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {5,T} """, kinetics = None, ) entry( index = 136, - label = "Ck_Cds-CtCb", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 O2d u0 {1,D} -4 Ct u0 {2,S} -5 Cb u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} +5 R!H ux r0 {2,S} {7,T} +6 R!H ux {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {5,T} +8 R!H ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 137, - label = "Ck_Cds-CtCO", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 O2d u0 {1,D} -4 Ct u0 {2,S} -5 CO u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} +5 R!H ux r0 {2,S} {7,T} +6 R!H ux {2,[S,D,T,B,Q]} {8,D} +7 R!H ux {5,T} +8 R!H ux {6,D} """, kinetics = None, ) entry( index = 138, - label = "Ck_Cds-CbCb", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4R!H-R", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 O2d u0 {1,D} -4 Cb u0 {2,S} -5 Cb u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +5 R!H ux r0 {2,S} {7,T} +6 R!H ux {2,[S,D,T,B,Q]} {8,D} +7 R!H ux {5,T} +8 R!H ux {6,D} +9 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 139, - label = "Ck_Cds-CbCO", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4R!H-R_Sp-9R!H=4R!H", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 O2d u0 {1,D} -4 Cb u0 {2,S} -5 CO u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} {9,D} +5 R!H ux r0 {2,S} {7,T} +6 R!H ux {2,[S,D,T,B,Q]} {8,D} +7 R!H ux {5,T} +8 R!H ux {6,D} +9 R!H ux {4,D} """, kinetics = None, ) entry( index = 140, - label = "Ck_Cds-COCO", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4R!H-R_Sp-9R!H=4R!H_Ext-1COS-R", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 O2d u0 {1,D} -4 CO u0 {2,S} -5 CO u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} {9,D} +5 R!H ux r0 {2,S} {7,T} +6 R!H ux {2,[S,D,T,B,Q]} {8,D} +7 R!H ux {5,T} +8 R!H ux {6,D} +9 R!H ux {4,D} +10 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 141, - label = "Ck_Cds-CdCt", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4R!H-R_Sp-9R!H=4R!H_Ext-1COS-R_Ext-10R!H-R", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 O2d u0 {1,D} -4 Cd u0 {2,S} {6,D} -5 Ct u0 {2,S} -6 C u0 {4,D} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} {9,D} +5 R!H ux r0 {2,S} {7,T} +6 R!H ux {2,[S,D,T,B,Q]} {8,D} +7 R!H ux {5,T} +8 R!H ux {6,D} +9 R!H ux {4,D} +10 R!H ux {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 R!H ux {10,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 142, - label = "Ck_Cds-CdCb", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4R!H-R_Sp-9R!H=4R!H_Ext-1COS-R_Ext-10R!H-R_Sp-11R!H=10R!H", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 O2d u0 {1,D} -4 Cd u0 {2,S} {6,D} -5 Cb u0 {2,S} -6 C u0 {4,D} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} {9,D} +5 R!H ux r0 {2,S} {7,T} +6 R!H ux {2,[S,D,T,B,Q]} {8,D} +7 R!H ux {5,T} +8 R!H ux {6,D} +9 R!H ux {4,D} +10 R!H ux {1,[S,D,T,B,Q]} {11,D} +11 R!H ux {10,D} """, kinetics = None, ) entry( index = 143, - label = "Ck_Cds-CdCO", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4R!H-R_Sp-9R!H=4R!H_Ext-1COS-R_Ext-10R!H-R_N-Sp-11R!H=10R!H", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 O2d u0 {1,D} -4 Cd u0 {2,S} {6,D} -5 CO u0 {2,S} -6 C u0 {4,D} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} {9,D} +5 R!H ux r0 {2,S} {7,T} +6 R!H ux {2,[S,D,T,B,Q]} {8,D} +7 R!H ux {5,T} +8 R!H ux {6,D} +9 R!H ux {4,D} +10 R!H ux {1,[S,D,T,B,Q]} {11,[S,T,Q,B]} +11 R!H ux {10,[S,T,Q,B]} """, kinetics = None, ) entry( index = 144, - label = "Ck_Cds-CtC=S", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4R!H-R_N-Sp-9R!H=4R!H", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 O2d u0 {1,D} -4 Ct u0 {2,S} -5 CS u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} {9,[S,T,Q,B]} +5 R!H ux r0 {2,S} {7,T} +6 R!H ux {2,[S,D,T,B,Q]} {8,D} +7 R!H ux {5,T} +8 R!H ux {6,D} +9 R!H ux {4,[S,T,Q,B]} """, kinetics = None, ) entry( index = 145, - label = "Ck_Cds-CbC=S", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4R!H-R_N-Sp-9R!H=4R!H_Ext-1COS-R", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 O2d u0 {1,D} -4 Cb u0 {2,S} -5 CS u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} {9,[S,T,Q,B]} +5 R!H ux r0 {2,S} {7,T} +6 R!H ux {2,[S,D,T,B,Q]} {8,D} +7 R!H ux {5,T} +8 R!H ux {6,D} +9 R!H ux {4,[S,T,Q,B]} +10 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 146, - label = "Ck_Cds-COC=S", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4R!H-R_N-Sp-9R!H=4R!H_Ext-1COS-R_Ext-10R!H-R", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 O2d u0 {1,D} -4 CO u0 {2,S} -5 CS u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} {9,[S,T,Q,B]} +5 R!H ux r0 {2,S} {7,T} +6 R!H ux {2,[S,D,T,B,Q]} {8,D} +7 R!H ux {5,T} +8 R!H ux {6,D} +9 R!H ux {4,[S,T,Q,B]} +10 R!H ux {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 R!H ux {10,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 147, - label = "Ck_Cds-CdCd", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-1COS-R", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 O2d u0 {1,D} -4 Cd u0 {2,S} {6,D} -5 Cd u0 {2,S} {7,D} -6 C u0 {4,D} -7 C u0 {5,D} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} +5 R!H ux r0 {2,S} {7,T} +6 R!H ux {2,[S,D,T,B,Q]} {8,D} +7 R!H ux {5,T} +8 R!H ux {6,D} +9 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 148, - label = "Ck_Cds-CdC=S", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-1COS-R_9R!H-inRing", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 O2d u0 {1,D} -4 Cd u0 {2,S} {6,D} -5 CS u0 {2,S} -6 C u0 {4,D} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} +5 R!H ux r0 {2,S} {7,T} +6 R!H ux {2,[S,D,T,B,Q]} {8,D} +7 R!H ux {5,T} +8 R!H ux {6,D} +9 R!H ux r1 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 149, - label = "Ck_Cds-C=SC=S", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-1COS-R_N-9R!H-inRing", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 O2d u0 {1,D} -4 CS u0 {2,S} -5 CS u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} +5 R!H ux r0 {2,S} {7,T} +6 R!H ux {2,[S,D,T,B,Q]} {8,D} +7 R!H ux {5,T} +8 R!H ux {6,D} +9 R!H ux r0 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 150, - label = "Cdd_Cdd", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cdd u0 {1,D} {4,D} -3 R!H u0 {1,D} -4 R!H u0 {2,D} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} +5 R!H ux r0 {2,S} {7,T} +6 R!H ux {2,[S,D,T,B,Q]} {8,[S,T,Q,B]} +7 R!H ux {5,T} +8 R!H ux {6,[S,T,Q,B]} """, kinetics = None, ) entry( index = 151, - label = "Ca_Ca", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4R!H-R", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cdd u0 {1,D} {4,D} -3 C u0 {1,D} -4 C u0 {2,D} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +5 R!H ux r0 {2,S} {7,T} +6 R!H ux {2,[S,D,T,B,Q]} {8,[S,T,Q,B]} +7 R!H ux {5,T} +8 R!H ux {6,[S,T,Q,B]} +9 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 152, - label = "Ca-Cb_Ca-Cb_cyc6", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4R!H-R_Sp-9R!H=4R!H", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cdd u0 {1,D} {4,D} -3 Cd u0 {1,D} {5,S} -4 Cd u0 {2,D} {6,S} -5 Cb u0 {3,S} {6,B} -6 Cb u0 {4,S} {5,B} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} {9,D} +5 R!H ux r0 {2,S} {7,T} +6 R!H ux {2,[S,D,T,B,Q]} {8,[S,T,Q,B]} +7 R!H ux {5,T} +8 R!H ux {6,[S,T,Q,B]} +9 R!H ux {4,D} """, kinetics = None, ) entry( index = 153, - label = "Ck_Ck", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4R!H-R_Sp-9R!H=4R!H_Ext-1COS-R", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cdd u0 {1,D} {4,D} -3 O2d u0 {1,D} -4 O2d u0 {2,D} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} {9,D} +5 R!H ux r0 {2,S} {7,T} +6 R!H ux {2,[S,D,T,B,Q]} {8,[S,T,Q,B]} +7 R!H ux {5,T} +8 R!H ux {6,[S,T,Q,B]} +9 R!H ux {4,D} +10 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 154, - label = "Ca_Ck", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4R!H-R_Sp-9R!H=4R!H_Ext-1COS-R_Ext-10R!H-R", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cdd u0 {1,D} {4,D} -3 C u0 {1,D} -4 O2d u0 {2,D} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} {9,D} +5 R!H ux r0 {2,S} {7,T} +6 R!H ux {2,[S,D,T,B,Q]} {8,[S,T,Q,B]} +7 R!H ux {5,T} +8 R!H ux {6,[S,T,Q,B]} +9 R!H ux {4,D} +10 R!H ux {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 R!H ux {10,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 155, - label = "Ck_Ca", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4R!H-R_Sp-9R!H=4R!H_Ext-1COS-R_Ext-10R!H-R_Sp-11R!H=10R!H", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cdd u0 {1,D} {4,D} -3 O2d u0 {1,D} -4 C u0 {2,D} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} {9,D} +5 R!H ux r0 {2,S} {7,T} +6 R!H ux {2,[S,D,T,B,Q]} {8,[S,T,Q,B]} +7 R!H ux {5,T} +8 R!H ux {6,[S,T,Q,B]} +9 R!H ux {4,D} +10 R!H ux {1,[S,D,T,B,Q]} {11,D} +11 R!H ux {10,D} """, kinetics = None, ) entry( index = 156, - label = "Cds_Sd", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4R!H-R_Sp-9R!H=4R!H_Ext-1COS-R_Ext-10R!H-R_N-Sp-11R!H=10R!H", group = """ -1 *1 CS u0 {2,D} {3,S} {4,S} -2 *2 S2d u0 p2 {1,D} -3 R ux {1,S} -4 R ux {1,S} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} {9,D} +5 R!H ux r0 {2,S} {7,T} +6 R!H ux {2,[S,D,T,B,Q]} {8,[S,T,Q,B]} +7 R!H ux {5,T} +8 R!H ux {6,[S,T,Q,B]} +9 R!H ux {4,D} +10 R!H ux {1,[S,D,T,B,Q]} {11,[S,T,Q,B]} +11 R!H ux {10,[S,T,Q,B]} """, kinetics = None, ) entry( index = 157, - label = "Cds-HH_Sd", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4R!H-R_N-Sp-9R!H=4R!H", group = """ -1 *1 CS u0 {2,D} {3,S} {4,S} -2 *2 S2d u0 p2 {1,D} -3 H u0 {1,S} -4 H u0 {1,S} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} {9,[S,T,Q,B]} +5 R!H ux r0 {2,S} {7,T} +6 R!H ux {2,[S,D,T,B,Q]} {8,[S,T,Q,B]} +7 R!H ux {5,T} +8 R!H ux {6,[S,T,Q,B]} +9 R!H ux {4,[S,T,Q,B]} """, kinetics = None, ) entry( index = 158, - label = "Cds-CsH_Sd", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4R!H-R_N-Sp-9R!H=4R!H_Ext-1COS-R", group = """ -1 *1 CS u0 {2,D} {3,S} {4,S} -2 *2 S2d u0 p2 {1,D} -3 Cs u0 {1,S} -4 H u0 {1,S} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} {9,[S,T,Q,B]} +5 R!H ux r0 {2,S} {7,T} +6 R!H ux {2,[S,D,T,B,Q]} {8,[S,T,Q,B]} +7 R!H ux {5,T} +8 R!H ux {6,[S,T,Q,B]} +9 R!H ux {4,[S,T,Q,B]} +10 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 159, - label = "Cds-CsCs_Sd", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4R!H-R_N-Sp-9R!H=4R!H_Ext-1COS-R_Ext-10R!H-R", group = """ -1 *1 CS u0 {2,D} {3,S} {4,S} -2 *2 S2d u0 p2 {1,D} -3 Cs u0 {1,S} -4 Cs u0 {1,S} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} {9,[S,T,Q,B]} +5 R!H ux r0 {2,S} {7,T} +6 R!H ux {2,[S,D,T,B,Q]} {8,[S,T,Q,B]} +7 R!H ux {5,T} +8 R!H ux {6,[S,T,Q,B]} +9 R!H ux {4,[S,T,Q,B]} +10 R!H ux {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 R!H ux {10,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 160, - label = "Cds-OsH_Sd", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-1COS-R", group = """ -1 *1 CS u0 {2,D} {3,S} {4,S} -2 *2 S2d u0 p2 {1,D} -3 O2s u0 {1,S} -4 H u0 {1,S} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} +5 R!H ux r0 {2,S} {7,T} +6 R!H ux {2,[S,D,T,B,Q]} {8,[S,T,Q,B]} +7 R!H ux {5,T} +8 R!H ux {6,[S,T,Q,B]} +9 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 161, - label = "Cds-OsCs_Sd", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-1COS-R_9R!H-inRing", group = """ -1 *1 CS u0 {2,D} {3,S} {4,S} -2 *2 S2d u0 p2 {1,D} -3 O2s u0 {1,S} -4 Cs u0 {1,S} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} +5 R!H ux r0 {2,S} {7,T} +6 R!H ux {2,[S,D,T,B,Q]} {8,[S,T,Q,B]} +7 R!H ux {5,T} +8 R!H ux {6,[S,T,Q,B]} +9 R!H ux r1 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 162, - label = "Cds-SsH_Sd", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-1COS-R_N-9R!H-inRing", group = """ -1 *1 CS u0 {2,D} {3,S} {4,S} -2 *2 S2d u0 p2 {1,D} -3 S2s u0 {1,S} -4 H u0 {1,S} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} +5 R!H ux r0 {2,S} {7,T} +6 R!H ux {2,[S,D,T,B,Q]} {8,[S,T,Q,B]} +7 R!H ux {5,T} +8 R!H ux {6,[S,T,Q,B]} +9 R!H ux r0 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 163, - label = "Cds-SsCs_Sd", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4R!H-R", group = """ -1 *1 CS u0 {2,D} {3,S} {4,S} -2 *2 S2d u0 p2 {1,D} -3 S2s u0 {1,S} -4 Cs u0 {1,S} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +5 R!H ux r0 {2,S} {7,T} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {5,T} +8 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 164, - label = "Cds-OneDeH_Sd", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4R!H-R_Sp-8R!H=4R!H", group = """ -1 *1 CS u0 {2,D} {3,S} {4,S} -2 *2 S2d u0 p2 {1,D} -3 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -4 H u0 {1,S} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} {8,D} +5 R!H ux r0 {2,S} {7,T} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {5,T} +8 R!H ux {4,D} """, kinetics = None, ) entry( index = 165, - label = "Cds-CtH_Sd", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4R!H-R_Sp-8R!H=4R!H_Ext-1COS-R", group = """ -1 *1 CS u0 {2,D} {3,S} {4,S} -2 *2 S2d u0 p2 {1,D} -3 Ct u0 {1,S} -4 H u0 {1,S} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} {8,D} +5 R!H ux r0 {2,S} {7,T} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {5,T} +8 R!H ux {4,D} +9 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 166, - label = "Cds-CbH_Sd", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4R!H-R_Sp-8R!H=4R!H_Ext-1COS-R_Ext-9R!H-R", group = """ -1 *1 CS u0 {2,D} {3,S} {4,S} -2 *2 S2d u0 p2 {1,D} -3 Cb u0 {1,S} -4 H u0 {1,S} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} {8,D} +5 R!H ux r0 {2,S} {7,T} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {5,T} +8 R!H ux {4,D} +9 R!H ux {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 R!H ux {9,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 167, - label = "Cds-COH_Sd", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4R!H-R_Sp-8R!H=4R!H_Ext-1COS-R_Ext-9R!H-R_Sp-10R!H=9R!H", group = """ -1 *1 CS u0 {2,D} {3,S} {4,S} -2 *2 S2d u0 p2 {1,D} -3 CO u0 {1,S} -4 H u0 {1,S} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} {8,D} +5 R!H ux r0 {2,S} {7,T} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {5,T} +8 R!H ux {4,D} +9 R!H ux {1,[S,D,T,B,Q]} {10,D} +10 R!H ux {9,D} """, kinetics = None, ) entry( index = 168, - label = "Cds-CdH_Sd", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4R!H-R_Sp-8R!H=4R!H_Ext-1COS-R_Ext-9R!H-R_N-Sp-10R!H=9R!H", group = """ -1 *1 CS u0 {2,D} {3,S} {4,S} -2 *2 S2d u0 p2 {1,D} -3 Cd u0 {1,S} {5,D} -4 H u0 {1,S} -5 C u0 {3,D} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} {8,D} +5 R!H ux r0 {2,S} {7,T} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {5,T} +8 R!H ux {4,D} +9 R!H ux {1,[S,D,T,B,Q]} {10,[S,T,Q,B]} +10 R!H ux {9,[S,T,Q,B]} """, kinetics = None, ) entry( index = 169, - label = "Cds-C=SH_Sd", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4R!H-R_N-Sp-8R!H=4R!H", group = """ -1 *1 CS u0 {2,D} {3,S} {4,S} -2 *2 S2d u0 p2 {1,D} -3 CS u0 {1,S} -4 H u0 {1,S} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} {8,[S,T,Q,B]} +5 R!H ux r0 {2,S} {7,T} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {5,T} +8 R!H ux {4,[S,T,Q,B]} """, kinetics = None, ) entry( index = 170, - label = "Cds-OneDeCs_Sd", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4R!H-R_N-Sp-8R!H=4R!H_Ext-1COS-R", group = """ -1 *1 CS u0 {2,D} {3,S} {4,S} -2 *2 S2d u0 p2 {1,D} -3 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -4 Cs u0 {1,S} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} {8,[S,T,Q,B]} +5 R!H ux r0 {2,S} {7,T} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {5,T} +8 R!H ux {4,[S,T,Q,B]} +9 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 171, - label = "Cds-CtCs_Sd", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4R!H-R_N-Sp-8R!H=4R!H_Ext-1COS-R_Ext-9R!H-R", group = """ -1 *1 CS u0 {2,D} {3,S} {4,S} -2 *2 S2d u0 p2 {1,D} -3 Ct u0 {1,S} -4 Cs u0 {1,S} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} {8,[S,T,Q,B]} +5 R!H ux r0 {2,S} {7,T} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {5,T} +8 R!H ux {4,[S,T,Q,B]} +9 R!H ux {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 R!H ux {9,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 172, - label = "Cds-CbCs_Sd", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-1COS-R", group = """ -1 *1 CS u0 {2,D} {3,S} {4,S} -2 *2 S2d u0 p2 {1,D} -3 Cb u0 {1,S} -4 Cs u0 {1,S} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} +5 R!H ux r0 {2,S} {7,T} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {5,T} +8 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 173, - label = "Cds-COCs_Sd", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-1COS-R_8R!H-inRing", group = """ -1 *1 CS u0 {2,D} {3,S} {4,S} -2 *2 S2d u0 p2 {1,D} -3 CO u0 {1,S} -4 Cs u0 {1,S} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} +5 R!H ux r0 {2,S} {7,T} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {5,T} +8 R!H ux r1 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 174, - label = "Cds-CdCs_Sd", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-1COS-R_N-8R!H-inRing", group = """ -1 *1 CS u0 {2,D} {3,S} {4,S} -2 *2 S2d u0 p2 {1,D} -3 Cd u0 {1,S} {5,D} -4 Cs u0 {1,S} -5 C u0 {3,D} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} +5 R!H ux r0 {2,S} {7,T} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {5,T} +8 R!H ux r0 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 175, - label = "Cds-C=SCs_Sd", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H", group = """ -1 *1 CS u0 {2,D} {3,S} {4,S} -2 *2 S2d u0 p2 {1,D} -3 CS u0 {1,S} -4 Cs u0 {1,S} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} +5 R!H ux r0 {2,S} {7,[S,D,Q,B]} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,Q,B]} """, kinetics = None, ) entry( index = 176, - label = "Cds-TwoDe_Sd", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R", group = """ -1 *1 CS u0 {2,D} {3,S} {4,S} -2 *2 S2d u0 p2 {1,D} -3 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -4 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} +5 R!H ux r0 {2,S} {7,[S,D,Q,B]} +6 R!H ux {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,Q,B]} +8 R!H ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 177, - label = "Cds-CtCt_Sd", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4R!H-R", group = """ -1 *1 CS u0 {2,D} {3,S} {4,S} -2 *2 S2d u0 p2 {1,D} -3 Ct u0 {1,S} -4 Ct u0 {1,S} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +5 R!H ux r0 {2,S} {7,[S,D,Q,B]} +6 R!H ux {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,Q,B]} +8 R!H ux {6,[S,D,T,B,Q]} +9 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 178, - label = "Cds-CtCb_Sd", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4R!H-R_Sp-9R!H=4R!H", group = """ -1 *1 CS u0 {2,D} {3,S} {4,S} -2 *2 S2d u0 p2 {1,D} -3 Ct u0 {1,S} -4 Cb u0 {1,S} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} {9,D} +5 R!H ux r0 {2,S} {7,[S,D,Q,B]} +6 R!H ux {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,Q,B]} +8 R!H ux {6,[S,D,T,B,Q]} +9 R!H ux {4,D} """, kinetics = None, ) entry( index = 179, - label = "Cds-CtCO_Sd", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4R!H-R_Sp-9R!H=4R!H_Ext-1COS-R", group = """ -1 *1 CS u0 {2,D} {3,S} {4,S} -2 *2 S2d u0 p2 {1,D} -3 Ct u0 {1,S} -4 CO u0 {1,S} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} {9,D} +5 R!H ux r0 {2,S} {7,[S,D,Q,B]} +6 R!H ux {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,Q,B]} +8 R!H ux {6,[S,D,T,B,Q]} +9 R!H ux {4,D} +10 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 180, - label = "Cds-CbCb_Sd", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4R!H-R_Sp-9R!H=4R!H_Ext-1COS-R_Ext-10R!H-R", group = """ -1 *1 CS u0 {2,D} {3,S} {4,S} -2 *2 S2d u0 p2 {1,D} -3 Cb u0 {1,S} -4 Cb u0 {1,S} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} {9,D} +5 R!H ux r0 {2,S} {7,[S,D,Q,B]} +6 R!H ux {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,Q,B]} +8 R!H ux {6,[S,D,T,B,Q]} +9 R!H ux {4,D} +10 R!H ux {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 R!H ux {10,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 181, - label = "Cds-CbCO_Sd", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4R!H-R_Sp-9R!H=4R!H_Ext-1COS-R_Ext-10R!H-R_Sp-11R!H=10R!H", group = """ -1 *1 CS u0 {2,D} {3,S} {4,S} -2 *2 S2d u0 p2 {1,D} -3 Cb u0 {1,S} -4 CO u0 {1,S} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} {9,D} +5 R!H ux r0 {2,S} {7,[S,D,Q,B]} +6 R!H ux {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,Q,B]} +8 R!H ux {6,[S,D,T,B,Q]} +9 R!H ux {4,D} +10 R!H ux {1,[S,D,T,B,Q]} {11,D} +11 R!H ux {10,D} """, kinetics = None, ) entry( index = 182, - label = "Cds-COCO_Sd", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4R!H-R_Sp-9R!H=4R!H_Ext-1COS-R_Ext-10R!H-R_N-Sp-11R!H=10R!H", group = """ -1 *1 CS u0 {2,D} {3,S} {4,S} -2 *2 S2d u0 p2 {1,D} -3 CO u0 {1,S} -4 CO u0 {1,S} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} {9,D} +5 R!H ux r0 {2,S} {7,[S,D,Q,B]} +6 R!H ux {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,Q,B]} +8 R!H ux {6,[S,D,T,B,Q]} +9 R!H ux {4,D} +10 R!H ux {1,[S,D,T,B,Q]} {11,[S,T,Q,B]} +11 R!H ux {10,[S,T,Q,B]} """, kinetics = None, ) entry( index = 183, - label = "Cds-CdCt_Sd", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4R!H-R_N-Sp-9R!H=4R!H", group = """ -1 *1 CS u0 {2,D} {3,S} {4,S} -2 *2 S2d u0 p2 {1,D} -3 Cd u0 {1,S} {5,D} -4 Ct u0 {1,S} -5 C u0 {3,D} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} {9,[S,T,Q,B]} +5 R!H ux r0 {2,S} {7,[S,D,Q,B]} +6 R!H ux {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,Q,B]} +8 R!H ux {6,[S,D,T,B,Q]} +9 R!H ux {4,[S,T,Q,B]} """, kinetics = None, ) entry( index = 184, - label = "Cds-CdCb_Sd", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4R!H-R_N-Sp-9R!H=4R!H_Ext-1COS-R", group = """ -1 *1 CS u0 {2,D} {3,S} {4,S} -2 *2 S2d u0 p2 {1,D} -3 Cd u0 {1,S} {5,D} -4 Cb u0 {1,S} -5 C u0 {3,D} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} {9,[S,T,Q,B]} +5 R!H ux r0 {2,S} {7,[S,D,Q,B]} +6 R!H ux {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,Q,B]} +8 R!H ux {6,[S,D,T,B,Q]} +9 R!H ux {4,[S,T,Q,B]} +10 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 185, - label = "Cds-CdCO_Sd", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4R!H-R_N-Sp-9R!H=4R!H_Ext-1COS-R_Ext-10R!H-R", group = """ -1 *1 CS u0 {2,D} {3,S} {4,S} -2 *2 S2d u0 p2 {1,D} -3 Cd u0 {1,S} {5,D} -4 CO u0 {1,S} -5 C u0 {3,D} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} {9,[S,T,Q,B]} +5 R!H ux r0 {2,S} {7,[S,D,Q,B]} +6 R!H ux {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,Q,B]} +8 R!H ux {6,[S,D,T,B,Q]} +9 R!H ux {4,[S,T,Q,B]} +10 R!H ux {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 R!H ux {10,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 186, - label = "Cds-CtC=S_Sd", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-1COS-R", group = """ -1 *1 CS u0 {2,D} {3,S} {4,S} -2 *2 S2d u0 p2 {1,D} -3 Ct u0 {1,S} -4 CS u0 {1,S} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} +5 R!H ux r0 {2,S} {7,[S,D,Q,B]} +6 R!H ux {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,Q,B]} +8 R!H ux {6,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 187, - label = "Cds-CbC=S_Sd", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-1COS-R_9R!H-inRing", group = """ -1 *1 CS u0 {2,D} {3,S} {4,S} -2 *2 S2d u0 p2 {1,D} -3 Cb u0 {1,S} -4 CS u0 {1,S} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} +5 R!H ux r0 {2,S} {7,[S,D,Q,B]} +6 R!H ux {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,Q,B]} +8 R!H ux {6,[S,D,T,B,Q]} +9 R!H ux r1 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 188, - label = "Cds-COC=S_Sd", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-1COS-R_N-9R!H-inRing", group = """ -1 *1 CS u0 {2,D} {3,S} {4,S} -2 *2 S2d u0 p2 {1,D} -3 CO u0 {1,S} -4 CS u0 {1,S} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} +5 R!H ux r0 {2,S} {7,[S,D,Q,B]} +6 R!H ux {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,Q,B]} +8 R!H ux {6,[S,D,T,B,Q]} +9 R!H ux r0 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 189, - label = "Cds-CdCd_Sd", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4R!H-R", group = """ -1 *1 CS u0 {2,D} {3,S} {4,S} -2 *2 S2d u0 p2 {1,D} -3 Cd u0 {1,S} {5,D} -4 Cd u0 {1,S} {6,D} -5 C u0 {3,D} -6 C u0 {4,D} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +5 R!H ux r0 {2,S} {7,[S,D,Q,B]} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,Q,B]} +8 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 190, - label = "Cds-CdC=S_Sd", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4R!H-R_Sp-8R!H=4R!H", group = """ -1 *1 CS u0 {2,D} {3,S} {4,S} -2 *2 S2d u0 p2 {1,D} -3 Cd u0 {1,S} {5,D} -4 CS u0 {1,S} -5 C u0 {3,D} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} {8,D} +5 R!H ux r0 {2,S} {7,[S,D,Q,B]} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,Q,B]} +8 R!H ux {4,D} """, kinetics = None, ) entry( index = 191, - label = "Cds-C=SC=S_Sd", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4R!H-R_Sp-8R!H=4R!H_Ext-1COS-R", group = """ -1 *1 CS u0 {2,D} {3,S} {4,S} -2 *2 S2d u0 p2 {1,D} -3 CS u0 {1,S} -4 CS u0 {1,S} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} {8,D} +5 R!H ux r0 {2,S} {7,[S,D,Q,B]} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,Q,B]} +8 R!H ux {4,D} +9 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 192, - label = "Cds_Nd", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4R!H-R_Sp-8R!H=4R!H_Ext-1COS-R_Ext-9R!H-R", group = """ -1 *1 Cd u0 {2,D} -2 *2 N u0 {1,D} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} {8,D} +5 R!H ux r0 {2,S} {7,[S,D,Q,B]} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,Q,B]} +8 R!H ux {4,D} +9 R!H ux {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 R!H ux {9,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 193, - label = "Cds_N3d", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4R!H-R_Sp-8R!H=4R!H_Ext-1COS-R_Ext-9R!H-R_Sp-10R!H=9R!H", group = """ -1 *1 Cd u0 {2,D} -2 *2 N3d u0 {1,D} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} {8,D} +5 R!H ux r0 {2,S} {7,[S,D,Q,B]} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,Q,B]} +8 R!H ux {4,D} +9 R!H ux {1,[S,D,T,B,Q]} {10,D} +10 R!H ux {9,D} """, kinetics = None, ) entry( index = 194, - label = "Cds-HH_N3d", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4R!H-R_Sp-8R!H=4R!H_Ext-1COS-R_Ext-9R!H-R_N-Sp-10R!H=9R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 N3d u0 {1,D} -3 H u0 {1,S} -4 H u0 {1,S} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} {8,D} +5 R!H ux r0 {2,S} {7,[S,D,Q,B]} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,Q,B]} +8 R!H ux {4,D} +9 R!H ux {1,[S,D,T,B,Q]} {10,[S,T,Q,B]} +10 R!H ux {9,[S,T,Q,B]} """, kinetics = None, ) entry( index = 195, - label = "Cds-NonDeH_N3d", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4R!H-R_N-Sp-8R!H=4R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 N3d u0 {1,D} -3 H u0 {1,S} -4 [Cs,O2s,N3s,N5sc,S2s] u0 {1,S} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} {8,[S,T,Q,B]} +5 R!H ux r0 {2,S} {7,[S,D,Q,B]} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,Q,B]} +8 R!H ux {4,[S,T,Q,B]} """, kinetics = None, ) entry( index = 196, - label = "Cds-NonDe2_N3d", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4R!H-R_N-Sp-8R!H=4R!H_Ext-1COS-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 N3d u0 {1,D} -3 [Cs,O2s,N3s,N5sc,S2s] u0 {1,S} -4 [Cs,O2s,N3s,N5sc,S2s] u0 {1,S} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} {8,[S,T,Q,B]} +5 R!H ux r0 {2,S} {7,[S,D,Q,B]} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,Q,B]} +8 R!H ux {4,[S,T,Q,B]} +9 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 197, - label = "Cds_Cds", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4R!H-R_N-Sp-8R!H=4R!H_Ext-1COS-R_Ext-9R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 R ux {1,S} -4 R ux {1,S} -5 R u0 {2,S} -6 R u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} {8,[S,T,Q,B]} +5 R!H ux r0 {2,S} {7,[S,D,Q,B]} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,Q,B]} +8 R!H ux {4,[S,T,Q,B]} +9 R!H ux {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 R!H ux {9,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 198, - label = "Cds-HH_Cds", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-1COS-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} +5 R!H ux r0 {2,S} {7,[S,D,Q,B]} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,Q,B]} +8 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 199, - label = "Cds-HH_Cds-HH", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-1COS-R_8R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 H u0 {2,S} -6 H u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} +5 R!H ux r0 {2,S} {7,[S,D,Q,B]} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,Q,B]} +8 R!H ux r1 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 200, - label = "Cds-HH_Cds-CsH", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-1COS-R_N-8R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 Cs u0 {2,S} -6 H u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} +5 R!H ux r0 {2,S} {7,[S,D,Q,B]} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,Q,B]} +8 R!H ux r0 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 201, - label = "Cds-HH_Cds-Cs\O2s/H", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} {7,S} -4 H u0 {1,S} -5 H u0 {2,S} -6 H u0 {2,S} -7 O2s u0 {3,S} +1 *1 [O,S,C] u0 {2,D} {4,S} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,S} +5 R!H ux r0 {2,S} +6 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 202, - label = "Cds-HH_Cds-Cs\H3/H", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R", group = """ -1 Cs u0 {2,S} {4,S} {5,S} {6,S} -2 *2 Cd u0 {1,S} {3,D} {7,S} -3 *1 Cd u0 {2,D} {8,S} {9,S} -4 H u0 {1,S} -5 H u0 {1,S} -6 H u0 {1,S} -7 H u0 {2,S} -8 H u0 {3,S} -9 H u0 {3,S} +1 *1 [O,S,C] u0 {2,D} {4,S} {7,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,S} +5 R!H ux r0 {2,S} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 203, - label = "Cds-HH_Cds-CsCs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_6R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 Cs u0 {2,S} -6 Cs u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,S} {7,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,S} +5 R!H ux r0 {2,S} +6 R!H ux r1 {2,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 204, - label = "Cds-HH_Cds-OsH", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_6R!H-inRing_Ext-4R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 O2s u0 {2,S} -6 H u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,S} {7,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,S} {8,[S,D,T,B,Q]} +5 R!H ux r0 {2,S} +6 R!H ux r1 {2,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 205, - label = "Cds-HH_Cds-OsCs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_6R!H-inRing_Ext-4R!H-R_Sp-8R!H#4R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 O2s u0 {2,S} -6 Cs u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,S} {7,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,S} {8,T} +5 R!H ux r0 {2,S} +6 R!H ux r1 {2,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {4,T} """, kinetics = None, ) entry( index = 206, - label = "Cds-HH_Cds-OsOs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_6R!H-inRing_Ext-4R!H-R_Sp-8R!H#4R!H_Ext-7R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 O2s u0 {2,S} -6 O2s u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,S} {7,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,S} {8,T} +5 R!H ux r0 {2,S} +6 R!H ux r1 {2,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 R!H ux {4,T} +9 R!H ux {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 207, - label = "Cds-HH_Cds-SsH", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_6R!H-inRing_Ext-4R!H-R_Sp-8R!H#4R!H_Ext-7R!H-R_Sp-9R!H=7R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 S2s u0 {2,S} -6 H u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,S} {7,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,S} {8,T} +5 R!H ux r0 {2,S} +6 R!H ux r1 {2,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} {9,D} +8 R!H ux {4,T} +9 R!H ux {7,D} """, kinetics = None, ) entry( index = 208, - label = "Cds-HH_Cds-SsCs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_6R!H-inRing_Ext-4R!H-R_Sp-8R!H#4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 S2s u0 {2,S} -6 Cs u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,S} {7,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,S} {8,T} +5 R!H ux r0 {2,S} +6 R!H ux r1 {2,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} {9,[S,T,Q,B]} +8 R!H ux {4,T} +9 R!H ux {7,[S,T,Q,B]} """, kinetics = None, ) entry( index = 209, - label = "Cds-HH_Cds-SsOs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_6R!H-inRing_Ext-4R!H-R_N-Sp-8R!H#4R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 S2s u0 {2,S} -6 O2s u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,S} {7,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,S} {8,[S,D,Q,B]} +5 R!H ux r0 {2,S} +6 R!H ux r1 {2,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {4,[S,D,Q,B]} """, kinetics = None, ) entry( index = 210, - label = "Cds-HH_Cds-SsSs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_6R!H-inRing_Ext-4R!H-R_N-Sp-8R!H#4R!H_Ext-7R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 S2s u0 {2,S} -6 S2s u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,S} {7,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,S} {8,[S,D,Q,B]} +5 R!H ux r0 {2,S} +6 R!H ux r1 {2,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 R!H ux {4,[S,D,Q,B]} +9 R!H ux {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 211, - label = "Cds-HH_Cds-OneDe", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_6R!H-inRing_7R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 [H,Cs,O2s,S2s] u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 C u0 r0 {2,D} {4,S} {7,S} +2 *2 C u0 r0 {1,D} {5,S} {6,S} +3 *3 H u1 r0 +4 C u0 r0 {1,S} +5 C u0 r0 {2,S} +6 C u0 r1 {2,S} +7 C u0 r1 {1,S} """, kinetics = None, ) entry( index = 212, - label = "Cds-HH_Cds-OneDeH", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_6R!H-inRing_N-7R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 H u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 C u0 r0 {2,D} {4,S} {7,S} +2 *2 C u0 r0 {1,D} {5,S} {6,S} +3 *3 H u1 r0 +4 C u0 r0 {1,S} +5 C u0 r0 {2,S} +6 C u0 r1 {2,S} +7 C u0 r0 {1,S} """, kinetics = None, ) entry( index = 213, - label = "Cds-HH_Cds-CtH", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_N-6R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 H u0 {2,S} -6 Ct u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,S} {7,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,S} +5 R!H ux r0 {2,S} +6 R!H ux r0 {2,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 214, - label = "Cds-HH_Cds-CbH", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_N-6R!H-inRing_7R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 H u0 {2,S} -6 Cb u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,S} {7,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,S} +5 R!H ux r0 {2,S} +6 R!H ux r0 {2,[S,D,T,B,Q]} +7 R!H ux r1 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 215, - label = "Cds-HH_Cds-COH", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 H u0 {2,S} -6 CO u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,S} {7,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,S} +5 R!H ux r0 {2,S} +6 R!H ux r0 {2,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 216, - label = "Cds-HH_Cds-(Cd-Cd-Cb)H", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing_Ext-4R!H-R", group = """ -1 *2 Cd u0 {2,D} {3,S} {5,S} -2 *1 Cd u0 {1,D} {6,S} {7,S} -3 Cd u0 {1,S} {4,D} -4 Cd u0 {3,D} {8,S} -5 H u0 {1,S} -6 H u0 {2,S} -7 H u0 {2,S} -8 Cb u0 {4,S} +1 *1 [O,S,C] u0 {2,D} {4,S} {7,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,S} {8,[S,D,T,B,Q]} +5 R!H ux r0 {2,S} +6 R!H ux r0 {2,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 217, - label = "Cds-HH_Cds-CdH", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing_Ext-4R!H-R_Sp-8R!H#4R!H", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 H u0 {2,S} -6 H u0 {2,S} -7 C u0 {3,D} +1 *1 [O,S,C] u0 {2,D} {4,S} {7,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,S} {8,T} +5 R!H ux r0 {2,S} +6 R!H ux r0 {2,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {4,T} """, kinetics = None, ) entry( index = 218, - label = "Cds-HH_Cds-C=SH", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing_Ext-4R!H-R_Sp-8R!H#4R!H_Ext-7R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 H u0 {2,S} -6 CS u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,S} {7,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,S} {8,T} +5 R!H ux r0 {2,S} +6 R!H ux r0 {2,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 R!H ux {4,T} +9 R!H ux {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 219, - label = "Cds-HH_Cds-OneDeCs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing_Ext-4R!H-R_Sp-8R!H#4R!H_Ext-7R!H-R_Sp-9R!H=7R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 Cs u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,S} {7,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,S} {8,T} +5 R!H ux r0 {2,S} +6 R!H ux r0 {2,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,D,T,B,Q]} {9,D} +8 R!H ux {4,T} +9 R!H ux {7,D} """, kinetics = None, ) entry( index = 220, - label = "Cds-HH_Cds-CtCs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing_Ext-4R!H-R_Sp-8R!H#4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 Cs u0 {2,S} -6 Ct u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,S} {7,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,S} {8,T} +5 R!H ux r0 {2,S} +6 R!H ux r0 {2,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,D,T,B,Q]} {9,[S,T,Q,B]} +8 R!H ux {4,T} +9 R!H ux {7,[S,T,Q,B]} """, kinetics = None, ) entry( index = 221, - label = "Cds-HH_Cds-CbCs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing_Ext-4R!H-R_N-Sp-8R!H#4R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 Cs u0 {2,S} -6 Cb u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,S} {7,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,S} {8,[S,D,Q,B]} +5 R!H ux r0 {2,S} +6 R!H ux r0 {2,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {4,[S,D,Q,B]} """, kinetics = None, ) entry( index = 222, - label = "Cds-HH_Cds-COCs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing_Ext-4R!H-R_N-Sp-8R!H#4R!H_Ext-7R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 Cs u0 {2,S} -6 CO u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,S} {7,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,S} {8,[S,D,Q,B]} +5 R!H ux r0 {2,S} +6 R!H ux r0 {2,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 R!H ux {4,[S,D,Q,B]} +9 R!H ux {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 223, - label = "Cds-HH_Cds-CdCs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_6R!H-inRing", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 H u0 {2,S} -6 H u0 {2,S} -7 C u0 {3,D} +1 *1 [O,S,C] u0 {2,D} {4,S} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,S} +5 R!H ux r0 {2,S} +6 R!H ux r1 {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 224, - label = "Cds-HH_Cds-C=SCs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_6R!H-inRing_Ext-4R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 Cs u0 {2,S} -6 CS u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,S} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,S} {7,[S,D,T,B,Q]} +5 R!H ux r0 {2,S} +6 R!H ux r1 {2,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 225, - label = "Cds-HH_Cds-OneDeOs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_6R!H-inRing_Ext-4R!H-R_Sp-7R!H=4R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 O2s u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,S} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,S} {7,D} +5 R!H ux r0 {2,S} +6 R!H ux r1 {2,[S,D,T,B,Q]} +7 R!H ux {4,D} """, kinetics = None, ) entry( index = 226, - label = "Cds-HH_Cds-CtOs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_6R!H-inRing_Ext-4R!H-R_N-Sp-7R!H=4R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 O2s u0 {2,S} -6 Ct u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,S} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,S} {7,[S,T,Q,B]} +5 R!H ux r0 {2,S} +6 R!H ux r1 {2,[S,D,T,B,Q]} +7 R!H ux {4,[S,T,Q,B]} """, kinetics = None, ) entry( index = 227, - label = "Cds-HH_Cds-CbOs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_N-6R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 O2s u0 {2,S} -6 Cb u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,S} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,S} +5 R!H ux r0 {2,S} +6 R!H ux r0 {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 228, - label = "Cds-HH_Cds-COOs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_N-6R!H-inRing_Ext-4R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 O2s u0 {2,S} -6 CO u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,S} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,S} {7,[S,D,T,B,Q]} +5 R!H ux r0 {2,S} +6 R!H ux r0 {2,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 229, - label = "Cds-HH_Cds-CdOs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_N-6R!H-inRing_Ext-4R!H-R_Ext-4R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 O2s u0 {2,S} -6 Cd u0 {2,S} {7,D} -7 C u0 {6,D} +1 *1 [O,S,C] u0 {2,D} {4,S} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +5 R!H ux r0 {2,S} +6 R!H ux r0 {2,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +8 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 230, - label = "Cds-HH_Cds-C=SOs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_N-6R!H-inRing_Ext-4R!H-R_Sp-7R!H=4R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 O2s u0 {2,S} -6 CS u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,S} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,S} {7,D} +5 R!H ux r0 {2,S} +6 R!H ux r0 {2,[S,D,T,B,Q]} +7 R!H ux {4,D} """, kinetics = None, ) entry( index = 231, - label = "Cds-HH_Cds-OneDeSs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_N-6R!H-inRing_Ext-4R!H-R_N-Sp-7R!H=4R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 S2s u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,S} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,S} {7,[S,T]} +5 R!H ux r0 {2,S} +6 R!H ux r0 {2,[S,D,T,B,Q]} +7 R!H ux {4,[S,T]} """, kinetics = None, ) entry( index = 232, - label = "Cds-HH_Cds-CtSs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_N-Sp-4R!H-1COS", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 S2s u0 {2,S} -6 Ct u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,D} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,D} +5 R!H ux r0 {2,S} +6 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 233, - label = "Cds-HH_Cds-CbSs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_4R!H->O", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 S2s u0 {2,S} -6 Cb u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} +3 *3 H u[1,2,3,4] +4 O u0 r0 {1,[S,D,T,B,Q]} +5 R!H ux r0 {2,S} """, kinetics = None, ) entry( index = 234, - label = "Cds-HH_Cds-COSs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 S2s u0 {2,S} -6 CO u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} +5 R!H ux r0 {2,S} """, kinetics = None, ) entry( index = 235, - label = "Cds-HH_Cds-CdSs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 S2s u0 {2,S} -6 Cd u0 {2,S} {7,D} -7 C u0 {6,D} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} +5 R!H ux r0 {2,S} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 236, - label = "Cds-HH_Cds-C=SSs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 S2s u0 {2,S} -6 CS u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +5 R!H ux r0 {2,S} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 237, - label = "Cds-HH_Cds-TwoDe", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_Sp-7R!H=4C", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} {7,D} +5 R!H ux r0 {2,S} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H ux {4,D} """, kinetics = None, ) entry( index = 238, - label = "Cds-HH_Cds-CtCt", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_Sp-7R!H=4C_Sp-6R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 Ct u0 {2,S} -6 Ct u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} {7,D} +5 R!H ux r0 {2,S} {6,D} +6 R!H ux {5,D} +7 R!H ux {4,D} """, kinetics = None, ) entry( index = 239, - label = "Cds-HH_Cds-CtCb", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_Sp-7R!H=4C_Sp-6R!H=5R!H_Ext-1COS-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 Ct u0 {2,S} -6 Cb u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} {7,D} +5 R!H ux r0 {2,S} {6,D} +6 R!H ux {5,D} +7 R!H ux {4,D} +8 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 240, - label = "Cds-HH_Cds-CtCO", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_Sp-7R!H=4C_Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 Ct u0 {2,S} -6 CO u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} {7,D} +5 R!H ux r0 {2,S} {6,D} +6 R!H ux {5,D} +7 R!H ux {4,D} +8 R!H ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 241, - label = "Cds-HH_Cds-CbCb", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_Sp-7R!H=4C_Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R_Sp-9R!H=8R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 Cb u0 {2,S} -6 Cb u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} {7,D} +5 R!H ux r0 {2,S} {6,D} +6 R!H ux {5,D} +7 R!H ux {4,D} +8 R!H ux {1,[S,D,T,B,Q]} {9,D} +9 R!H ux {8,D} """, kinetics = None, ) entry( index = 242, - label = "Cds-HH_Cds-CbCO", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_Sp-7R!H=4C_Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R_N-Sp-9R!H=8R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 Cb u0 {2,S} -6 CO u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} {7,D} +5 R!H ux r0 {2,S} {6,D} +6 R!H ux {5,D} +7 R!H ux {4,D} +8 R!H ux {1,[S,D,T,B,Q]} {9,[S,T,Q,B]} +9 R!H ux {8,[S,T,Q,B]} """, kinetics = None, ) entry( index = 243, - label = "Cds-HH_Cds-COCO", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_Sp-7R!H=4C_N-Sp-6R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 CO u0 {2,S} -6 CO u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} {7,D} +5 R!H ux r0 {2,S} {6,T} +6 R!H ux {5,T} +7 R!H ux {4,D} """, kinetics = None, ) entry( index = 244, - label = "Cds-HH_Cds-CdCt", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_Sp-7R!H=4C_N-Sp-6R!H=5R!H_Ext-1COS-R", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 H u0 {2,S} -6 H u0 {2,S} -7 C u0 {3,D} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} {7,D} +5 R!H ux r0 {2,S} {6,T} +6 R!H ux {5,T} +7 R!H ux {4,D} +8 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 245, - label = "Cds-HH_Cds-CdCb", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_Sp-7R!H=4C_N-Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cb u0 {1,S} -5 H u0 {2,S} -6 H u0 {2,S} -7 C u0 {3,D} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} {7,D} +5 R!H ux r0 {2,S} {6,T} +6 R!H ux {5,T} +7 R!H ux {4,D} +8 R!H ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 246, - label = "Cds-HH_Cds-CdCbCbCdCdCd_cycle", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_Sp-7R!H=4C_N-Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R_Sp-9R!H=8R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 Cd u0 {2,S} {7,D} -6 Cb u0 {2,S} {8,B} -7 Cd u0 {5,D} {8,S} -8 Cb u0 {6,B} {7,S} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} {7,D} +5 R!H ux r0 {2,S} {6,T} +6 R!H ux {5,T} +7 R!H ux {4,D} +8 R!H ux {1,[S,D,T,B,Q]} {9,D} +9 R!H ux {8,D} """, kinetics = None, ) entry( index = 247, - label = "Cds-HH_Cds-CdCO", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_Sp-7R!H=4C_N-Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R_N-Sp-9R!H=8R!H", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 CO u0 {1,S} -5 H u0 {2,S} -6 H u0 {2,S} -7 C u0 {3,D} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} {7,D} +5 R!H ux r0 {2,S} {6,T} +6 R!H ux {5,T} +7 R!H ux {4,D} +8 R!H ux {1,[S,D,T,B,Q]} {9,[S,T,Q,B]} +9 R!H ux {8,[S,T,Q,B]} """, kinetics = None, ) entry( index = 248, - label = "Cds-HH_Cds-CtC=S", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_N-Sp-7R!H=4C", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 Ct u0 {2,S} -6 CS u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} {7,[S,T,Q,B]} +5 R!H ux r0 {2,S} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H ux {4,[S,T,Q,B]} """, kinetics = None, ) entry( index = 249, - label = "Cds-HH_Cds-CbC=S", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_N-Sp-7R!H=4C_Sp-6R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 Cb u0 {2,S} -6 CS u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} {7,[S,T,Q,B]} +5 R!H ux r0 {2,S} {6,D} +6 R!H ux {5,D} +7 R!H ux {4,[S,T,Q,B]} """, kinetics = None, ) entry( index = 250, - label = "Cds-HH_Cds-COC=S", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_N-Sp-7R!H=4C_Sp-6R!H=5R!H_Ext-1COS-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 CO u0 {2,S} -6 CS u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} {7,[S,T,Q,B]} +5 R!H ux r0 {2,S} {6,D} +6 R!H ux {5,D} +7 R!H ux {4,[S,T,Q,B]} +8 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 251, - label = "Cds-HH_Cds-CdCd", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_N-Sp-7R!H=4C_Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 H u0 {2,S} -6 H u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} {7,[S,T,Q,B]} +5 R!H ux r0 {2,S} {6,D} +6 R!H ux {5,D} +7 R!H ux {4,[S,T,Q,B]} +8 R!H ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 252, - label = "Cds-HH_Cds-CdCd_cyc", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_N-Sp-7R!H=4C_N-Sp-6R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 Cd u0 {2,S} {7,D} -6 Cd u0 {2,S} {8,D} -7 Cd u0 {5,D} {9,S} -8 Cd u0 {6,D} {12,S} -9 Cd u0 {7,S} {10,D} -10 Cd u0 {9,D} {11,S} -11 Cd u0 {10,S} {12,D} -12 Cd u0 {8,S} {11,D} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} {7,[S,T,Q,B]} +5 R!H ux r0 {2,S} {6,T} +6 R!H ux {5,T} +7 R!H ux {4,[S,T,Q,B]} """, kinetics = None, ) entry( index = 253, - label = "Cds-HH_Cds-CdC=S", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_N-Sp-7R!H=4C_N-Sp-6R!H=5R!H_Ext-1COS-R", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 CS u0 {1,S} -5 H u0 {2,S} -6 H u0 {2,S} -7 C u0 {3,D} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} {7,[S,T,Q,B]} +5 R!H ux r0 {2,S} {6,T} +6 R!H ux {5,T} +7 R!H ux {4,[S,T,Q,B]} +8 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 254, - label = "Cds-HH_Cds-C=SC=S", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_N-Sp-7R!H=4C_N-Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 CS u0 {2,S} -6 CS u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} {7,[S,T,Q,B]} +5 R!H ux r0 {2,S} {6,T} +6 R!H ux {5,T} +7 R!H ux {4,[S,T,Q,B]} +8 R!H ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 255, - label = "Cds-CsH_Cds", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Sp-6R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 H u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} +5 R!H ux r0 {2,S} {6,D} +6 R!H ux {5,D} """, kinetics = None, ) entry( index = 256, - label = "Cds-CsH_Cds-HH", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1COS-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 H u0 {1,S} -5 H u0 {2,S} -6 H u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} +5 R!H ux r0 {2,S} {6,D} +6 R!H ux {5,D} +7 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 257, - label = "Cds-Cs\O2s/H_Cds-HH", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1COS-R_7R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} {7,S} -4 H u0 {1,S} -5 H u0 {2,S} -6 H u0 {2,S} -7 O2s u0 {3,S} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} +5 R!H ux r0 {2,S} {6,D} +6 R!H ux {5,D} +7 R!H ux r1 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 258, - label = "Cds-CsH_Cds-CsH", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1COS-R_N-7R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 H u0 {1,S} -5 Cs u0 {2,S} -6 H u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} +5 R!H ux r0 {2,S} {6,D} +6 R!H ux {5,D} +7 R!H ux r0 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 259, - label = "Cds-CsH_Cds-(CsH-Cds-Cds)_cyc6", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_N-Sp-6R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} {8,S} -4 H u0 {1,S} -5 Cs u0 {2,S} {7,S} -6 H u0 {2,S} -7 Cd u0 {5,S} {8,D} -8 Cd u0 {3,S} {7,D} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} +5 R!H ux r0 {2,S} {6,T} +6 R!H ux {5,T} """, kinetics = None, ) entry( index = 260, - label = "Cds-CsH_Cds-CsCs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1COS-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 H u0 {1,S} -5 Cs u0 {2,S} -6 Cs u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} +5 R!H ux r0 {2,S} {6,T} +6 R!H ux {5,T} +7 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 261, - label = "Cds-CsH_Cds-OsH", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1COS-R_7R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 H u0 {1,S} -5 O2s u0 {2,S} -6 H u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} +5 R!H ux r0 {2,S} {6,T} +6 R!H ux {5,T} +7 R!H ux r1 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 262, - label = "Cds-CsH_Cds-OsCs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1COS-R_N-7R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 H u0 {1,S} -5 O2s u0 {2,S} -6 Cs u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} +5 R!H ux r0 {2,S} {6,T} +6 R!H ux {5,T} +7 R!H ux r0 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 263, - label = "Cds-CsH_Cds-OsOs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 H u0 {1,S} -5 O2s u0 {2,S} -6 O2s u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,S} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,S} +5 R!H ux r0 {2,S} """, kinetics = None, ) entry( index = 264, - label = "Cds-CsH_Cds-SsH", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 H u0 {1,S} -5 S2s u0 {2,S} -6 H u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,S} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,S} +5 C ux r0 {2,S} """, kinetics = None, ) entry( index = 265, - label = "Cds-CsH_Cds-SsCs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C_Ext-1COS-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 H u0 {1,S} -5 S2s u0 {2,S} -6 Cs u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,S} {6,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,S} +5 C ux r0 {2,S} +6 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 266, - label = "Cds-CsH_Cds-SsOs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C_Ext-1COS-R_6R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 H u0 {1,S} -5 S2s u0 {2,S} -6 O2s u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,S} {6,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,S} +5 C ux r0 {2,S} +6 R!H ux r1 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 267, - label = "Cds-CsH_Cds-SsSs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C_Ext-1COS-R_N-6R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 H u0 {1,S} -5 S2s u0 {2,S} -6 S2s u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,S} {6,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,S} +5 C ux r0 {2,S} +6 R!H ux r0 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 268, - label = "Cds-CsH_Cds-OneDe", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C_Ext-1COS-R_N-6R!H-inRing_Ext-4C-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 H u0 {1,S} -5 [H,Cs,O2s,S2s] u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,S} {6,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,S} {7,[S,D,T,B,Q]} +5 C ux r0 {2,S} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 269, - label = "Cds-CsH_Cds-OneDeH", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C_Ext-1COS-R_N-6R!H-inRing_Ext-4C-R_Sp-7R!H#4C", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 H u0 {1,S} -5 H u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,S} {6,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,S} {7,T} +5 C ux r0 {2,S} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {4,T} """, kinetics = None, ) entry( index = 270, - label = "Cds-CsH_Cds-CtH", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C_Ext-1COS-R_N-6R!H-inRing_Ext-4C-R_Sp-7R!H#4C_Ext-6R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 H u0 {1,S} -5 H u0 {2,S} -6 Ct u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,S} {6,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,S} {7,T} +5 C ux r0 {2,S} +6 R!H ux r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {4,T} +8 R!H ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 271, - label = "Cds-CsH_Cds-CbH", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C_Ext-1COS-R_N-6R!H-inRing_Ext-4C-R_Sp-7R!H#4C_Ext-6R!H-R_Sp-8R!H=6R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 H u0 {1,S} -5 H u0 {2,S} -6 Cb u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,S} {6,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,S} {7,T} +5 C ux r0 {2,S} +6 R!H ux r0 {1,[S,D,T,B,Q]} {8,D} +7 R!H ux {4,T} +8 R!H ux {6,D} """, kinetics = None, ) entry( index = 272, - label = "Cds-CsH_Cds-COH", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C_Ext-1COS-R_N-6R!H-inRing_Ext-4C-R_Sp-7R!H#4C_Ext-6R!H-R_N-Sp-8R!H=6R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 H u0 {1,S} -5 H u0 {2,S} -6 CO u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,S} {6,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,S} {7,T} +5 C ux r0 {2,S} +6 R!H ux r0 {1,[S,D,T,B,Q]} {8,[S,T,Q,B]} +7 R!H ux {4,T} +8 R!H ux {6,[S,T,Q,B]} """, kinetics = None, ) entry( index = 273, - label = "Cds-CsH_Cds-(Cd-Cd-Cd-Cd-Cd)H", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C_Ext-1COS-R_N-6R!H-inRing_Ext-4C-R_N-Sp-7R!H#4C", group = """ -1 *2 Cd u0 {2,D} {3,S} {7,S} -2 *1 Cd u0 {1,D} {8,S} {9,S} -3 Cd u0 {1,S} {4,D} -4 Cd u0 {3,D} {5,S} -5 Cd u0 {4,S} {6,D} -6 Cd u0 {5,D} {10,S} -7 H u0 {1,S} -8 Cs u0 {2,S} -9 H u0 {2,S} -10 Cd u0 {6,S} +1 *1 [O,S,C] u0 {2,D} {4,S} {6,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,S} {7,[S,D,Q,B]} +5 C ux r0 {2,S} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,Q,B]} """, kinetics = None, ) entry( index = 274, - label = "Cds-CsH_Cds-(Cd-Cd-Cd)H", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C_Ext-1COS-R_N-6R!H-inRing_Ext-4C-R_N-Sp-7R!H#4C_Ext-6R!H-R", group = """ -1 *2 Cd u0 {2,D} {3,S} {5,S} -2 *1 Cd u0 {1,D} {6,S} {7,S} -3 Cd u0 {1,S} {4,D} -4 Cd u0 {3,D} {8,S} -5 H u0 {1,S} -6 Cs u0 {2,S} -7 H u0 {2,S} -8 Cd u0 {4,S} +1 *1 [O,S,C] u0 {2,D} {4,S} {6,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,S} {7,[S,D,Q,B]} +5 C ux r0 {2,S} +6 R!H ux r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,Q,B]} +8 R!H ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 275, - label = "Cds-CsH_Cds-Cd(Cd)H", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C_Ext-4C-R", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,S} -4 H u0 {1,S} -5 Cs u0 {2,S} -6 H u0 {2,S} -7 Cd u0 {3,S} +1 *1 [O,S,C] u0 {2,D} {4,S} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,S} {6,[S,D,T,B,Q]} +5 C ux r0 {2,S} +6 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 276, - label = "Cds-CsH_Cds-CdH", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C_Ext-4C-R_Sp-6R!H=4C", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 Cs u0 {2,S} -6 H u0 {2,S} -7 C u0 {3,D} +1 *1 [O,S,C] u0 {2,D} {4,S} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,S} {6,D} +5 C ux r0 {2,S} +6 R!H ux {4,D} """, kinetics = None, ) entry( index = 277, - label = "Cds-CsH_Cds-(CdsH-Cds)_cyc5", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C_Ext-4C-R_N-Sp-6R!H=4C", group = """ -1 *1 Cd u0 {2,D} {3,S} {6,S} -2 *2 Cd u0 {1,D} {4,S} {7,S} -3 Cs u0 {1,S} {5,S} -4 Cd u0 {2,S} {5,D} -5 Cd u0 {3,S} {4,D} -6 H u0 {1,S} -7 H u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,S} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,S} {6,[S,T,Q,B]} +5 C ux r0 {2,S} +6 R!H ux {4,[S,T,Q,B]} """, kinetics = None, ) entry( index = 278, - label = "Cds-CsH_Cds-C=SH", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C_Ext-4C-R_N-Sp-6R!H=4C_Ext-4C-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 H u0 {1,S} -5 H u0 {2,S} -6 CS u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,S} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,S} {6,[S,T,Q,B]} {7,[S,D,T,B,Q]} +5 C ux r0 {2,S} +6 R!H ux {4,[S,T,Q,B]} +7 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 279, - label = "Cds-CsH_Cds-OneDeCs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_N-5R!H->C", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 H u0 {1,S} -5 Cs u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,S} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,S} +5 O ux r0 {2,S} """, kinetics = None, ) entry( index = 280, - label = "Cds-CsH_Cds-CtCs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_N-Sp-4C-1COS", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 H u0 {1,S} -5 Cs u0 {2,S} -6 Ct u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,D} +2 *2 [O,S,C] u0 r0 {1,D} {5,S} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,D} +5 R!H ux r0 {2,S} """, kinetics = None, ) entry( index = 281, - label = "Cds-CsH_Cds-CbCs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 H u0 {1,S} -5 Cs u0 {2,S} -6 Cb u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,D} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} +5 R!H ux r0 {2,D} """, kinetics = None, ) entry( index = 282, - label = "Cds-CsH_Cds-COCs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS_Sp-4R!H-1COS", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 H u0 {1,S} -5 Cs u0 {2,S} -6 CO u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,S} +2 *2 [O,S,C] u0 r0 {1,D} {5,D} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,S} +5 R!H ux r0 {2,D} """, kinetics = None, ) entry( index = 283, - label = "Cds-CsH_Cds-CdCs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS_Sp-4R!H-1COS_Ext-4R!H-R", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 Cs u0 {2,S} -6 H u0 {2,S} -7 C u0 {3,D} +1 *1 [O,S,C] u0 {2,D} {4,S} +2 *2 [O,S,C] u0 r0 {1,D} {5,D} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,S} {6,[S,D,T,B,Q]} +5 R!H ux r0 {2,D} +6 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 284, - label = "Cds-CsH_Cds-C=SCs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS_Sp-4R!H-1COS_Ext-4R!H-R_Sp-6R!H=4R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 H u0 {1,S} -5 Cs u0 {2,S} -6 CS u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,S} +2 *2 [O,S,C] u0 r0 {1,D} {5,D} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,S} {6,D} +5 R!H ux r0 {2,D} +6 R!H ux {4,D} """, kinetics = None, ) entry( index = 285, - label = "Cds-CsH_Cds-OneDeOs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS_Sp-4R!H-1COS_Ext-4R!H-R_Sp-6R!H=4R!H_Ext-1COS-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 H u0 {1,S} -5 O2s u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,S} {7,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,D} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,S} {6,D} +5 R!H ux r0 {2,D} +6 R!H ux {4,D} +7 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 286, - label = "Cds-CsH_Cds-CtOs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS_Sp-4R!H-1COS_Ext-4R!H-R_Sp-6R!H=4R!H_Ext-1COS-R_Ext-7R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 H u0 {1,S} -5 O2s u0 {2,S} -6 Ct u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,S} {7,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,D} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,S} {6,D} +5 R!H ux r0 {2,D} +6 R!H ux {4,D} +7 R!H ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 287, - label = "Cds-CsH_Cds-CbOs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS_Sp-4R!H-1COS_Ext-4R!H-R_Sp-6R!H=4R!H_Ext-1COS-R_Ext-7R!H-R_Sp-8R!H=7R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 H u0 {1,S} -5 O2s u0 {2,S} -6 Cb u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,S} {7,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,D} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,S} {6,D} +5 R!H ux r0 {2,D} +6 R!H ux {4,D} +7 R!H ux {1,[S,D,T,B,Q]} {8,D} +8 R!H ux {7,D} """, kinetics = None, ) entry( index = 288, - label = "Cds-CsH_Cds-COOs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS_Sp-4R!H-1COS_Ext-4R!H-R_Sp-6R!H=4R!H_Ext-1COS-R_Ext-7R!H-R_N-Sp-8R!H=7R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 H u0 {1,S} -5 O2s u0 {2,S} -6 CO u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,S} {7,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,D} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,S} {6,D} +5 R!H ux r0 {2,D} +6 R!H ux {4,D} +7 R!H ux {1,[S,D,T,B,Q]} {8,[S,T,Q,B]} +8 R!H ux {7,[S,T,Q,B]} """, kinetics = None, ) entry( index = 289, - label = "Cds-CsH_Cds-CdOs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS_Sp-4R!H-1COS_Ext-4R!H-R_N-Sp-6R!H=4R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 H u0 {1,S} -5 O2s u0 {2,S} -6 Cd u0 {2,S} {7,D} -7 C u0 {6,D} +1 *1 [O,S,C] u0 {2,D} {4,S} +2 *2 [O,S,C] u0 r0 {1,D} {5,D} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,S} {6,[S,T,Q,B]} +5 R!H ux r0 {2,D} +6 R!H ux {4,[S,T,Q,B]} """, kinetics = None, ) entry( index = 290, - label = "Cds-CsH_Cds-C=SOs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS_Sp-4R!H-1COS_Ext-4R!H-R_N-Sp-6R!H=4R!H_Ext-1COS-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 H u0 {1,S} -5 O2s u0 {2,S} -6 CS u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,S} {7,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,D} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,S} {6,[S,T,Q,B]} +5 R!H ux r0 {2,D} +6 R!H ux {4,[S,T,Q,B]} +7 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 291, - label = "Cds-CsH_Cds-OneDeSs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS_Sp-4R!H-1COS_Ext-4R!H-R_N-Sp-6R!H=4R!H_Ext-1COS-R_Ext-7R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 H u0 {1,S} -5 S2s u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,S} {7,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,D} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,S} {6,[S,T,Q,B]} +5 R!H ux r0 {2,D} +6 R!H ux {4,[S,T,Q,B]} +7 R!H ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 292, - label = "Cds-CsH_Cds-CtSs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS_Sp-4R!H-1COS_Ext-1COS-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 H u0 {1,S} -5 S2s u0 {2,S} -6 Ct u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,S} {6,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,D} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,S} +5 R!H ux r0 {2,D} +6 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 293, - label = "Cds-CsH_Cds-CbSs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS_Sp-4R!H-1COS_Ext-1COS-R_6R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 H u0 {1,S} -5 S2s u0 {2,S} -6 Cb u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,S} {6,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,D} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,S} +5 R!H ux r0 {2,D} +6 R!H ux r1 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 294, - label = "Cds-CsH_Cds-COSs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS_Sp-4R!H-1COS_Ext-1COS-R_N-6R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 H u0 {1,S} -5 S2s u0 {2,S} -6 CO u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,S} {6,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,D} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,S} +5 R!H ux r0 {2,D} +6 R!H ux r0 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 295, - label = "Cds-CsH_Cds-CdSs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS_N-Sp-4R!H-1COS", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 H u0 {1,S} -5 S2s u0 {2,S} -6 Cd u0 {2,S} {7,D} -7 C u0 {6,D} +1 *1 C u0 r0 {2,D} {4,D} +2 *2 C u0 r0 {1,D} {5,D} +3 *3 H u1 r0 +4 C u0 r0 {1,D} +5 C u0 r0 {2,D} """, kinetics = None, ) entry( index = 296, - label = "Cds-CsH_Cds-C=SSs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_Ext-1COS-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 H u0 {1,S} -5 S2s u0 {2,S} -6 CS u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} +5 R!H ux {2,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 297, - label = "Cds-CsH_Cds-TwoDe", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_Ext-1COS-R_Ext-4R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 H u0 {1,S} -5 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +5 R!H ux {2,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 298, - label = "Cds-CsH_Cds-CtCt", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_Ext-1COS-R_Ext-4R!H-R_Sp-7R!H#4R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 H u0 {1,S} -5 Ct u0 {2,S} -6 Ct u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} {7,T} +5 R!H ux {2,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {4,T} """, kinetics = None, ) entry( index = 299, - label = "Cds-CsH_Cds-CtCb", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_Ext-1COS-R_Ext-4R!H-R_Sp-7R!H#4R!H_Ext-6R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 H u0 {1,S} -5 Ct u0 {2,S} -6 Cb u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} {7,T} +5 R!H ux {2,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {4,T} +8 R!H ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 300, - label = "Cds-CsH_Cds-CtCO", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_Ext-1COS-R_Ext-4R!H-R_Sp-7R!H#4R!H_Ext-6R!H-R_Sp-8R!H=6R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 H u0 {1,S} -5 Ct u0 {2,S} -6 CO u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} {7,T} +5 R!H ux {2,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} {8,D} +7 R!H ux {4,T} +8 R!H ux {6,D} """, kinetics = None, ) entry( index = 301, - label = "Cds-CsH_Cds-CbCb", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_Ext-1COS-R_Ext-4R!H-R_Sp-7R!H#4R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 H u0 {1,S} -5 Cb u0 {2,S} -6 Cb u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} {7,T} +5 R!H ux {2,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} {8,[S,T,Q,B]} +7 R!H ux {4,T} +8 R!H ux {6,[S,T,Q,B]} """, kinetics = None, ) entry( index = 302, - label = "Cds-CsH_Cds-CbCO", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_Ext-1COS-R_Ext-4R!H-R_N-Sp-7R!H#4R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 H u0 {1,S} -5 Cb u0 {2,S} -6 CO u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} {7,[S,D,Q,B]} +5 R!H ux {2,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,Q,B]} """, kinetics = None, ) entry( index = 303, - label = "Cds-CsH_Cds-COCO", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_Ext-1COS-R_Ext-4R!H-R_N-Sp-7R!H#4R!H_Ext-6R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 H u0 {1,S} -5 CO u0 {2,S} -6 CO u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} {7,[S,D,Q,B]} +5 R!H ux {2,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,Q,B]} +8 R!H ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 304, - label = "Cds-CsH_Cds-CdCt", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_Ext-1COS-R_6R!H-inRing", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 Cs u0 {2,S} -6 H u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 r0 {2,D} {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {5,S} +3 *3 H u1 r0 +4 R!H u0 r0 {1,[S,D,T,B,Q]} +5 C u0 r1 {2,S} +6 R!H ux r1 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 305, - label = "Cds-CsH_Cds-CdCb", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_Ext-1COS-R_N-6R!H-inRing", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cb u0 {1,S} -5 Cs u0 {2,S} -6 H u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 r0 {2,D} {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {5,S} +3 *3 H u1 r0 +4 R!H u0 r0 {1,[S,D,T,B,Q]} +5 C u0 r1 {2,S} +6 R!H ux r0 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 306, - label = "Cds-CsH_Cds-CdCO", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_Sp-4R!H-1COS", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 CO u0 {1,S} -5 Cs u0 {2,S} -6 H u0 {2,S} -7 C u0 {3,D} +1 *1 [O,S,C] u0 {2,D} {4,S} +2 *2 [O,S,C] u0 r0 {1,D} {5,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,S} +5 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 307, - label = "Cds-CsH_Cds-CtC=S", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_Sp-4R!H-1COS_Ext-4R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 H u0 {1,S} -5 Ct u0 {2,S} -6 CS u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,S} +2 *2 [O,S,C] u0 r0 {1,D} {5,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,S} {6,[S,D,T,B,Q]} +5 R!H ux {2,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 308, - label = "Cds-CsH_Cds-CbC=S", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_Sp-4R!H-1COS_Ext-4R!H-R_Sp-6R!H=4R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 H u0 {1,S} -5 Cb u0 {2,S} -6 CS u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,S} +2 *2 [O,S,C] u0 r0 {1,D} {5,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,S} {6,D} +5 R!H ux {2,[S,D,T,B,Q]} +6 R!H ux {4,D} """, kinetics = None, ) entry( index = 309, - label = "Cds-CsH_Cds-COC=S", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_Sp-4R!H-1COS_Ext-4R!H-R_N-Sp-6R!H=4R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 H u0 {1,S} -5 CO u0 {2,S} -6 CS u0 {2,S} +1 *1 C u0 r0 {2,D} {4,S} +2 *2 C u0 r0 {1,D} {5,S} +3 *3 H u1 r0 +4 C u0 r0 {1,S} {6,T} +5 C u0 r1 {2,S} +6 C u0 r0 {4,T} """, kinetics = None, ) entry( index = 310, - label = "Cds-CsH_Cds-CdCd", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-Sp-4R!H-1COS", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 Cs u0 {2,S} -6 H u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 [O,S,C] u0 {2,D} {4,[B,D,T,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[B,D,T,Q]} +5 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 311, - label = "Cds-CsH_Cds-CdC=S", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-Sp-4R!H-1COS_Ext-4R!H-R", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 CS u0 {1,S} -5 Cs u0 {2,S} -6 H u0 {2,S} -7 C u0 {3,D} +1 *1 [O,S,C] u0 {2,D} {4,[B,D,T,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {5,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[B,D,T,Q]} {6,[S,D,T,B,Q]} +5 R!H ux {2,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 312, - label = "Cds-CsH_Cds-C=SC=S", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 H u0 {1,S} -5 CS u0 {2,S} -6 CS u0 {2,S} +1 *1 [O,S,C] u0 {2,T} {4,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,T} {5,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} +5 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 313, - label = "Cds-CsCs_Cds", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_5R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} +1 *1 [O,S,C] u0 {2,T} {4,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,T} {5,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} +5 R!H ux r1 {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 314, - label = "Cds-CsCs_Cds-HH", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_5R!H-inRing_Ext-4R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 H u0 {2,S} -6 H u0 {2,S} +1 *1 [O,S,C] u0 {2,T} {4,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,T} {5,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux r1 {2,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 315, - label = "Cds-CsCs_Cds-CsH", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 Cs u0 {2,S} -6 H u0 {2,S} +1 *1 [O,S,C] u0 {2,T} {4,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,T} {5,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} +5 R!H ux r0 {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 316, - label = "Cds-CsCs_Cds-CsCs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-5R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 Cs u0 {2,S} -6 Cs u0 {2,S} +1 *1 [O,S,C] u0 {2,T} {4,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,T} {5,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} +5 R!H ux r0 {2,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 317, - label = "Cds-CsCs_Cds-OsH", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-5R!H-R_Sp-6R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 O2s u0 {2,S} -6 H u0 {2,S} +1 *1 [O,S,C] u0 {2,T} {4,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,T} {5,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} +5 R!H ux r0 {2,[S,D,T,B,Q]} {6,D} +6 R!H ux {5,D} """, kinetics = None, ) entry( index = 318, - label = "Cds-CsCs_Cds-OsCs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-4R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 O2s u0 {2,S} -6 Cs u0 {2,S} +1 *1 [O,S,C] u0 {2,T} {4,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,T} {5,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +5 R!H ux r0 {2,[S,D,T,B,Q]} {6,D} +6 R!H ux {5,D} +7 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 319, - label = "Cds-CsCs_Cds-OsOs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-4R!H-R_Sp-7R!H=4R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 O2s u0 {2,S} -6 O2s u0 {2,S} +1 *1 [O,S,C] u0 {2,T} {4,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,T} {5,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} {7,D} +5 R!H ux r0 {2,[S,D,T,B,Q]} {6,D} +6 R!H ux {5,D} +7 R!H ux {4,D} """, kinetics = None, ) entry( index = 320, - label = "Cds-CsCs_Cds-SsH", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 S2s u0 {2,S} -6 H u0 {2,S} +1 *1 [O,S,C] u0 {2,T} {4,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,T} {5,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} {7,[S,T,Q,B]} +5 R!H ux r0 {2,[S,D,T,B,Q]} {6,D} +6 R!H ux {5,D} +7 R!H ux {4,[S,T,Q,B]} """, kinetics = None, ) entry( index = 321, - label = "Cds-CsCs_Cds-SsCs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 S2s u0 {2,S} -6 Cs u0 {2,S} +1 *1 [O,S,C] u0 {2,T} {4,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,T} {5,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} +5 R!H ux r0 {2,[S,D,T,B,Q]} {6,[S,T,Q,B]} +6 R!H ux {5,[S,T,Q,B]} """, kinetics = None, ) entry( index = 322, - label = "Cds-CsCs_Cds-SsOs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 S2s u0 {2,S} -6 O2s u0 {2,S} +1 *1 [O,S,C] u0 {2,T} {4,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,T} {5,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +5 R!H ux r0 {2,[S,D,T,B,Q]} {6,[S,T,Q,B]} +6 R!H ux {5,[S,T,Q,B]} +7 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 323, - label = "Cds-CsCs_Cds-SsSs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R_Ext-7R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 S2s u0 {2,S} -6 S2s u0 {2,S} +1 *1 [O,S,C] u0 {2,T} {4,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,T} {5,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +5 R!H ux r0 {2,[S,D,T,B,Q]} {6,[S,T,Q,B]} +6 R!H ux {5,[S,T,Q,B]} +7 R!H ux {4,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 324, - label = "Cds-CsCs_Cds-OneDe", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R_Ext-7R!H-R_Sp-7R!H-4R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 [H,Cs,O2s,S2s] u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 [O,S,C] u0 {2,T} {4,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,T} {5,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} {7,S} +5 R!H ux r0 {2,[S,D,T,B,Q]} {6,[S,T,Q,B]} +6 R!H ux {5,[S,T,Q,B]} +7 R!H ux {4,S} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 325, - label = "Cds-CsCs_Cds-OneDeH", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R_Ext-7R!H-R_N-Sp-7R!H-4R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 H u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 [O,S,C] u0 {2,T} {4,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,T} {5,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} {7,[D,T]} +5 R!H ux r0 {2,[S,D,T,B,Q]} {6,[S,T,Q,B]} +6 R!H ux {5,[S,T,Q,B]} +7 R!H ux {4,[D,T]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 326, - label = "Cds-CsCs_Cds-CtH", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R_Sp-7R!H=4R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 H u0 {2,S} -6 Ct u0 {2,S} +1 *1 [O,S,C] u0 {2,T} {4,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,T} {5,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} {7,D} +5 R!H ux r0 {2,[S,D,T,B,Q]} {6,[S,T,Q,B]} +6 R!H ux {5,[S,T,Q,B]} +7 R!H ux {4,D} """, kinetics = None, ) entry( index = 327, - label = "Cds-CsCs_Cds-CbH", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 H u0 {2,S} -6 Cb u0 {2,S} +1 *1 [O,S,C] u0 {2,T} {4,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,T} {5,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} {7,[S,T]} +5 R!H ux r0 {2,[S,D,T,B,Q]} {6,[S,T,Q,B]} +6 R!H ux {5,[S,T,Q,B]} +7 R!H ux {4,[S,T]} """, kinetics = None, ) entry( index = 328, - label = "Cds-CsCs_Cds-COH", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-4R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 H u0 {2,S} -6 CO u0 {2,S} +1 *1 [O,S,C] u0 {2,T} {4,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,T} {5,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux r0 {2,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 329, - label = "Cds-CsCs_Cds-CdH", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-4R!H-R_Sp-6R!H=4R!H", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 Cs u0 {2,S} -6 Cs u0 {2,S} -7 C u0 {3,D} +1 *1 [O,S,C] u0 {2,T} {4,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,T} {5,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} {6,D} +5 R!H ux r0 {2,[S,D,T,B,Q]} +6 R!H ux {4,D} """, kinetics = None, ) entry( index = 330, - label = "Cds-CsCs_Cds-C=SH", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-4R!H-R_N-Sp-6R!H=4R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 H u0 {2,S} -6 CS u0 {2,S} +1 *1 [O,S,C] u0 {2,T} {4,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,T} {5,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} {6,[S,T,Q,B]} +5 R!H ux r0 {2,[S,D,T,B,Q]} +6 R!H ux {4,[S,T,Q,B]} """, kinetics = None, ) entry( index = 331, - label = "Cds-CsCs_Cds-OneDeCs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_2COS->O", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 Cs u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 [O,S,C] u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 O u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 332, - label = "Cds-CsCs_Cds-CtCs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_2COS->O_Ext-4R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 Cs u0 {2,S} -6 Ct u0 {2,S} +1 *1 [O,S,C] u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 O u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 333, - label = "Cds-CsCs_Cds-CbCs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_2COS->O_Ext-4R!H-R_Sp-5R!H=4R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 Cs u0 {2,S} -6 Cb u0 {2,S} +1 *1 [O,S,C] u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 O u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} {5,D} +5 R!H ux {4,D} """, kinetics = None, ) entry( index = 334, - label = "Cds-CsCs_Cds-COCs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_2COS->O_Ext-4R!H-R_Sp-5R!H=4R!H_Ext-1COS-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 Cs u0 {2,S} -6 CO u0 {2,S} +1 *1 [O,S,C] u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 O u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} {5,D} +5 R!H ux {4,D} +6 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 335, - label = "Cds-CsCs_Cds-CdCs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_2COS->O_Ext-4R!H-R_N-Sp-5R!H=4R!H", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 Cs u0 {2,S} -6 Cs u0 {2,S} -7 C u0 {3,D} +1 *1 [O,S,C] u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 O u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} {5,[S,T,Q,B]} +5 R!H ux {4,[S,T,Q,B]} """, kinetics = None, ) entry( index = 336, - label = "Cds-CsCs_Cds-C=SCs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_2COS->O_Ext-4R!H-R_N-Sp-5R!H=4R!H_Ext-1COS-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 Cs u0 {2,S} -6 CS u0 {2,S} +1 *1 [O,S,C] u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 O u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} {5,[S,T,Q,B]} +5 R!H ux {4,[S,T,Q,B]} +6 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 337, - label = "Cds-CsCs_Cds-OneDeOs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_2COS->O_Sp-4R!H-1COS", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 O2s u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 C u0 r0 {2,D} {4,S} +2 *2 O u0 r0 {1,D} +3 *3 H u1 r0 +4 C u0 r0 {1,S} """, kinetics = None, ) entry( index = 338, - label = "Cds-CsCs_Cds-CtOs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_2COS->O_N-Sp-4R!H-1COS", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 O2s u0 {2,S} -6 Ct u0 {2,S} +1 *1 [O,S,C] u0 {2,[D,T,B]} {4,D} +2 *2 O u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,D} """, kinetics = None, ) entry( index = 339, - label = "Cds-CsCs_Cds-CbOs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_2COS->O_N-Sp-4R!H-1COS_4R!H->C", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 O2s u0 {2,S} -6 Cb u0 {2,S} +1 *1 [O,S,C] u0 {2,[D,T,B]} {4,D} +2 *2 O u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,D} """, kinetics = None, ) entry( index = 340, - label = "Cds-CsCs_Cds-COOs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_2COS->O_N-Sp-4R!H-1COS_N-4R!H->C", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 O2s u0 {2,S} -6 CO u0 {2,S} +1 *1 [O,S,C] u0 {2,[D,T,B]} {4,D} +2 *2 O u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 S u0 r0 {1,D} """, kinetics = None, ) entry( index = 341, - label = "Cds-CsCs_Cds-CdOs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 O2s u0 {2,S} -6 Cd u0 {2,S} {7,D} -7 C u0 {6,D} +1 *1 [O,S,C] u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 342, - label = "Cds-CsCs_Cds-C=SOs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_4R!H->N", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 O2s u0 {2,S} -6 CS u0 {2,S} +1 *1 [O,S,C] u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 N u0 r0 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 343, - label = "Cds-CsCs_Cds-OneDeSs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 S2s u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 [O,S,C] u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 [O,S,C] u0 r0 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 344, - label = "Cds-CsCs_Cds-CtSs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 S2s u0 {2,S} -6 Ct u0 {2,S} +1 *1 [O,S,C] u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 [O,S,C] u0 r0 {1,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 345, - label = "Cds-CsCs_Cds-CbSs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_Sp-5R!H-4COS", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 S2s u0 {2,S} -6 Cb u0 {2,S} +1 *1 [O,S,C] u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 [O,S,C] u0 r0 {1,[S,D,T,B,Q]} {5,S} +5 R!H ux {4,S} """, kinetics = None, ) entry( index = 346, - label = "Cds-CsCs_Cds-COSs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_Sp-5R!H-4COS_Ext-4COS-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 S2s u0 {2,S} -6 CO u0 {2,S} +1 *1 [O,S,C] u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 [O,S,C] u0 r0 {1,[S,D,T,B,Q]} {5,S} {6,[S,D,T,B,Q]} +5 R!H ux {4,S} +6 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 347, - label = "Cds-CsCs_Cds-CdSs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_Sp-5R!H-4COS_Ext-4COS-R_Sp-6R!H-4COS", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 S2s u0 {2,S} -6 Cd u0 {2,S} {7,D} -7 C u0 {6,D} +1 *1 [O,S,C] u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 [O,S,C] u0 r0 {1,[S,D,T,B,Q]} {5,S} {6,S} +5 R!H ux {4,S} +6 R!H ux {4,S} """, kinetics = None, ) entry( index = 348, - label = "Cds-CsCs_Cds-C=SSs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_Sp-5R!H-4COS_Ext-4COS-R_N-Sp-6R!H-4COS", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 S2s u0 {2,S} -6 CS u0 {2,S} +1 *1 [O,S,C] u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 [O,S,C] u0 r0 {1,[S,D,T,B,Q]} {5,S} {6,[B,D,T,Q]} +5 R!H ux {4,S} +6 R!H ux {4,[B,D,T,Q]} """, kinetics = None, ) entry( index = 349, - label = "Cds-CsCs_Cds-TwoDe", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_Sp-5R!H-4COS_5R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 [O,S,C] u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 [O,S,C] u0 r0 {1,[S,D,T,B,Q]} {5,S} +5 R!H ux r1 {4,S} """, kinetics = None, ) entry( index = 350, - label = "Cds-CsCs_Cds-CtCt", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_Sp-5R!H-4COS_5R!H-inRing_Sp-2CS=1CCOSS", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 Ct u0 {2,S} -6 Ct u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} +3 *3 H u[1,2,3,4] +4 [O,S,C] u0 r0 {1,[S,D,T,B,Q]} {5,S} +5 R!H ux r1 {4,S} """, kinetics = None, ) entry( index = 351, - label = "Cds-CsCs_Cds-CtCb", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_Sp-5R!H-4COS_5R!H-inRing_N-Sp-2CS=1CCOSS", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 Ct u0 {2,S} -6 Cb u0 {2,S} +1 *1 [O,S,C] u0 {2,T} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,T} +3 *3 H u[1,2,3,4] +4 [O,S,C] u0 r0 {1,[S,D,T,B,Q]} {5,S} +5 R!H ux r1 {4,S} """, kinetics = None, ) entry( index = 352, - label = "Cds-CsCs_Cds-CtCO", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_Sp-5R!H-4COS_N-5R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 Ct u0 {2,S} -6 CO u0 {2,S} +1 *1 [O,S,C] u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 [O,S,C] u0 r0 {1,[S,D,T,B,Q]} {5,S} +5 R!H ux r0 {4,S} """, kinetics = None, ) entry( index = 353, - label = "Cds-CsCs_Cds-CbCb", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_Sp-5R!H-4COS_N-5R!H-inRing_Ext-5R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 Cb u0 {2,S} -6 Cb u0 {2,S} +1 *1 [O,S,C] u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 [O,S,C] u0 r0 {1,[S,D,T,B,Q]} {5,S} +5 R!H ux r0 {4,S} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 354, - label = "Cds-CsCs_Cds-CbCO", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_Sp-5R!H-4COS_N-5R!H-inRing_Ext-5R!H-R_Sp-2CS=1CCOSS", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 Cb u0 {2,S} -6 CO u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} +3 *3 H u[1,2,3,4] +4 [O,S,C] u0 r0 {1,[S,D,T,B,Q]} {5,S} +5 R!H ux r0 {4,S} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 355, - label = "Cds-CsCs_Cds-COCO", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_Sp-5R!H-4COS_N-5R!H-inRing_Ext-5R!H-R_Sp-2CS=1CCOSS_Ext-6R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 CO u0 {2,S} -6 CO u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} +3 *3 H u[1,2,3,4] +4 [O,S,C] u0 r0 {1,[S,D,T,B,Q]} {5,S} +5 R!H ux r0 {4,S} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 356, - label = "Cds-CsCs_Cds-CdCt", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_Sp-5R!H-4COS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-2CS=1CCOSS", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 Cs u0 {2,S} -6 Cs u0 {2,S} -7 C u0 {3,D} +1 *1 [O,S,C] u0 {2,T} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,T} +3 *3 H u[1,2,3,4] +4 [O,S,C] u0 r0 {1,[S,D,T,B,Q]} {5,S} +5 R!H ux r0 {4,S} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 357, - label = "Cds-CsCs_Cds-CdCb", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_Sp-5R!H-4COS_N-5R!H-inRing_5R!H->C", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cb u0 {1,S} -5 Cs u0 {2,S} -6 Cs u0 {2,S} -7 C u0 {3,D} +1 *1 [O,S,C] u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 [O,S,C] u0 r0 {1,[S,D,T,B,Q]} {5,S} +5 C ux r0 {4,S} """, kinetics = None, ) entry( index = 358, - label = "Cds-CsCs_Cds-CdCO", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_Sp-5R!H-4COS_N-5R!H-inRing_N-5R!H->C", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 CO u0 {1,S} -5 Cs u0 {2,S} -6 Cs u0 {2,S} -7 C u0 {3,D} +1 *1 [O,S,C] u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 [O,S,C] u0 r0 {1,[S,D,T,B,Q]} {5,S} +5 O ux r0 {4,S} """, kinetics = None, ) entry( index = 359, - label = "Cds-CsCs_Cds-CtC=S", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 Ct u0 {2,S} -6 CS u0 {2,S} +1 *1 [O,S,C] u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 [O,S,C] u0 r0 {1,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} """, kinetics = None, ) entry( index = 360, - label = "Cds-CsCs_Cds-CbC=S", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 Cb u0 {2,S} -6 CS u0 {2,S} +1 *1 [O,S,C] u0 {2,[D,T,B]} {4,S} +2 *2 [C,S] u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 [O,S,C] u0 r0 {1,S} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} """, kinetics = None, ) entry( index = 361, - label = "Cds-CsCs_Cds-COC=S", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_Sp-2CS=1CCOSS", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 CO u0 {2,S} -6 CS u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,S} +2 *2 [C,S] u0 r0 {1,D} +3 *3 H u[1,2,3,4] +4 [O,S,C] u0 r0 {1,S} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} """, kinetics = None, ) entry( index = 362, - label = "Cds-CsCs_Cds-(Cd-Cd-Cd)Cd", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_Sp-2CS=1CCOSS_Sp-5R!H=4COS", group = """ -1 *2 Cd u0 {2,D} {3,S} {5,S} -2 *1 Cd u0 {1,D} {6,S} {7,S} -3 Cd u0 {1,S} {4,D} -4 Cd u0 {3,D} {8,S} -5 Cd u0 {1,S} -6 Cs u0 {2,S} -7 Cs u0 {2,S} -8 Cd u0 {4,S} +1 *1 [O,S,C] u0 {2,D} {4,S} +2 *2 [C,S] u0 r0 {1,D} +3 *3 H u[1,2,3,4] +4 [O,S,C] u0 r0 {1,S} {5,D} +5 R!H ux {4,D} """, kinetics = None, ) entry( index = 363, - label = "Cds-CsCs_Cds-CdCd", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_Sp-2CS=1CCOSS_Sp-5R!H=4COS_Ext-1COS-R", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 Cs u0 {2,S} -6 Cs u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 [O,S,C] u0 {2,D} {4,S} {6,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} +3 *3 H u[1,2,3,4] +4 [O,S,C] u0 r0 {1,S} {5,D} +5 R!H ux {4,D} +6 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 364, - label = "Cds-CsCs_Cds-CdC=S", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_Sp-2CS=1CCOSS_Sp-5R!H=4COS_Ext-1COS-R_Ext-6R!H-R", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 CS u0 {1,S} -5 Cs u0 {2,S} -6 Cs u0 {2,S} -7 C u0 {3,D} +1 *1 [O,S,C] u0 {2,D} {4,S} {6,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} +3 *3 H u[1,2,3,4] +4 [O,S,C] u0 r0 {1,S} {5,D} +5 R!H ux {4,D} +6 R!H ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 365, - label = "Cds-CsCs_Cds-C=SC=S", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_Sp-2CS=1CCOSS_Sp-5R!H=4COS_Ext-1COS-R_Ext-6R!H-R_Sp-7R!H=6R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 CS u0 {2,S} -6 CS u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,S} {6,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} +3 *3 H u[1,2,3,4] +4 [O,S,C] u0 r0 {1,S} {5,D} +5 R!H ux {4,D} +6 R!H ux {1,[S,D,T,B,Q]} {7,D} +7 R!H ux {6,D} """, kinetics = None, ) entry( index = 366, - label = "Cds-SsH_Cds", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_Sp-2CS=1CCOSS_Sp-5R!H=4COS_Ext-1COS-R_Ext-6R!H-R_N-Sp-7R!H=6R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 S2s u0 {1,S} -4 H u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,S} {6,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} +3 *3 H u[1,2,3,4] +4 [O,S,C] u0 r0 {1,S} {5,D} +5 R!H ux {4,D} +6 R!H ux {1,[S,D,T,B,Q]} {7,[S,T,Q,B]} +7 R!H ux {6,[S,T,Q,B]} """, kinetics = None, ) entry( index = 367, - label = "Cds-SsCs_Cds", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_Sp-2CS=1CCOSS_N-Sp-5R!H=4COS", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 S2s u0 {1,S} -4 Cs u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,S} +2 *2 [C,S] u0 r0 {1,D} +3 *3 H u[1,2,3,4] +4 [O,S,C] u0 r0 {1,S} {5,T} +5 R!H ux {4,T} """, kinetics = None, ) entry( index = 368, - label = "Cds-SsSs_Cds", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_Sp-2CS=1CCOSS_N-Sp-5R!H=4COS_Ext-1COS-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 S2s u0 {1,S} -4 S2s u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,S} {6,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} +3 *3 H u[1,2,3,4] +4 [O,S,C] u0 r0 {1,S} {5,T} +5 R!H ux {4,T} +6 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 369, - label = "Cds-N3sH_Cds", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_Sp-2CS=1CCOSS_N-Sp-5R!H=4COS_Ext-1COS-R_6R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 N3s u0 {1,S} -4 H u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,S} {6,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} +3 *3 H u[1,2,3,4] +4 [O,S,C] u0 r0 {1,S} {5,T} +5 R!H ux {4,T} +6 R!H ux r1 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 370, - label = "Cds-OsH_Cds", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_Sp-2CS=1CCOSS_N-Sp-5R!H=4COS_Ext-1COS-R_N-6R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 O2s u0 {1,S} -4 H u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,S} {6,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} +3 *3 H u[1,2,3,4] +4 [O,S,C] u0 r0 {1,S} {5,T} +5 R!H ux {4,T} +6 R!H ux r0 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 371, - label = "Cds-OsH_Cds-CsH", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_Sp-2CS=1CCOSS_N-Sp-5R!H=4COS_Ext-1COS-R_N-6R!H-inRing_Ext-6R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 O2s u0 {1,S} -4 H u0 {1,S} -5 Cs u0 {2,S} -6 H u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,S} {6,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} +3 *3 H u[1,2,3,4] +4 [O,S,C] u0 r0 {1,S} {5,T} +5 R!H ux {4,T} +6 R!H ux r0 {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 372, - label = "Cds-OsCs_Cds", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_N-Sp-2CS=1CCOSS", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 O2s u0 {1,S} -4 Cs u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} +1 *1 [O,S,C] u0 {2,T} {4,S} +2 *2 [C,S] u0 r0 {1,T} +3 *3 H u[1,2,3,4] +4 [O,S,C] u0 r0 {1,S} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} """, kinetics = None, ) entry( index = 373, - label = "Cds-OsOs_Cds", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_N-Sp-2CS=1CCOSS_Sp-5R!H=4COS", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 O2s u0 {1,S} -4 O2s u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} +1 *1 [O,S,C] u0 {2,T} {4,S} +2 *2 [C,S] u0 r0 {1,T} +3 *3 H u[1,2,3,4] +4 [O,S,C] u0 r0 {1,S} {5,D} +5 R!H ux {4,D} """, kinetics = None, ) entry( index = 374, - label = "Cds-OsSs_Cds", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_N-Sp-2CS=1CCOSS_Sp-5R!H=4COS_Ext-5R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 O2s u0 {1,S} -4 S2s u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} +1 *1 [O,S,C] u0 {2,T} {4,S} +2 *2 [C,S] u0 r0 {1,T} +3 *3 H u[1,2,3,4] +4 [O,S,C] u0 r0 {1,S} {5,D} +5 R!H ux {4,D} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 375, - label = "Cds-OneDe_Cds", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_N-Sp-2CS=1CCOSS_Sp-5R!H=4COS_Ext-5R!H-R_6R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -4 [H,Cs,O2s,S2s] u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} +1 *1 C u0 r0 {2,T} {4,S} +2 *2 C u0 r0 {1,T} +3 *3 H u1 r0 +4 C u0 r0 {1,S} {5,D} +5 C u0 r0 {4,D} {6,S} +6 C u0 r1 {5,S} """, kinetics = None, ) entry( index = 376, - label = "Cds-OneDeH_Cds", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_N-Sp-2CS=1CCOSS_Sp-5R!H=4COS_Ext-5R!H-R_N-6R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -4 H u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} +1 *1 [O,S,C] u0 {2,T} {4,S} +2 *2 [C,S] u0 r0 {1,T} +3 *3 H u[1,2,3,4] +4 [O,S,C] u0 r0 {1,S} {5,D} +5 R!H ux {4,D} {6,[S,D,T,B,Q]} +6 R!H ux r0 {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 377, - label = "Cds-CtH_Cds", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_N-Sp-2CS=1CCOSS_Sp-5R!H=4COS_Ext-5R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-7R!H-6R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 H u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} +1 *1 [O,S,C] u0 {2,T} {4,S} +2 *2 [C,S] u0 r0 {1,T} +3 *3 H u[1,2,3,4] +4 [O,S,C] u0 r0 {1,S} {5,D} +5 R!H ux {4,D} {6,[S,D,T,B,Q]} +6 R!H ux r0 {5,[S,D,T,B,Q]} {7,S} +7 R!H ux {6,S} """, kinetics = None, ) entry( index = 378, - label = "Cds-CtH_Cds-HH", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_N-Sp-2CS=1CCOSS_Sp-5R!H=4COS_Ext-5R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-7R!H-6R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 H u0 {1,S} -5 H u0 {2,S} -6 H u0 {2,S} +1 *1 [O,S,C] u0 {2,T} {4,S} +2 *2 [C,S] u0 r0 {1,T} +3 *3 H u[1,2,3,4] +4 [O,S,C] u0 r0 {1,S} {5,D} +5 R!H ux {4,D} {6,[S,D,T,B,Q]} +6 R!H ux r0 {5,[S,D,T,B,Q]} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} """, kinetics = None, ) entry( index = 379, - label = "Cds-CtH_Cds-CsH", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_N-Sp-2CS=1CCOSS_N-Sp-5R!H=4COS", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 H u0 {1,S} -5 Cs u0 {2,S} -6 H u0 {2,S} +1 *1 C u0 r0 {2,T} {4,S} +2 *2 C u0 r0 {1,T} +3 *3 H u1 r0 +4 C u0 r0 {1,S} {5,T} +5 C u0 r0 {4,T} """, kinetics = None, ) entry( index = 380, - label = "Cds-CtH_Cds-CsCs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_N-Sp-4COS-1CCOOSS", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 H u0 {1,S} -5 Cs u0 {2,S} -6 Cs u0 {2,S} +1 *1 [O,S,C] u0 {2,[D,T,B]} {4,D} +2 *2 [C,S] u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 [O,S,C] u0 r0 {1,D} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} """, kinetics = None, ) entry( index = 381, - label = "Cds-CtH_Cds-OsH", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_4COS->C", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 H u0 {1,S} -5 O2s u0 {2,S} -6 H u0 {2,S} +1 *1 [O,S,C] u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 382, - label = "Cds-CtH_Cds-OsCs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_4COS->C_2CS->C", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 H u0 {1,S} -5 O2s u0 {2,S} -6 Cs u0 {2,S} +1 *1 [O,S,C] u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 383, - label = "Cds-CtH_Cds-OsOs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_4COS->C_2CS->C_Sp-2C=1COS", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 H u0 {1,S} -5 O2s u0 {2,S} -6 O2s u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 384, - label = "Cds-CtH_Cds-SsH", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_4COS->C_2CS->C_Sp-2C=1COS_Sp-4C-1COS", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 H u0 {1,S} -5 S2s u0 {2,S} -6 H u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,S} +2 *2 C u0 r0 {1,D} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,S} """, kinetics = None, ) entry( index = 385, - label = "Cds-CtH_Cds-SsCs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_4COS->C_2CS->C_Sp-2C=1COS_Sp-4C-1COS_Ext-1COS-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 H u0 {1,S} -5 S2s u0 {2,S} -6 Cs u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,S} {5,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,S} +5 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 386, - label = "Cds-CtH_Cds-SsOs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_4COS->C_2CS->C_Sp-2C=1COS_Sp-4C-1COS_Ext-1COS-R_5R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 H u0 {1,S} -5 S2s u0 {2,S} -6 O2s u0 {2,S} +1 *1 C u0 r0 {2,D} {4,S} {5,S} +2 *2 C u0 r0 {1,D} +3 *3 H u1 r0 +4 C u0 r0 {1,S} +5 C u0 r1 {1,S} """, kinetics = None, ) entry( index = 387, - label = "Cds-CtH_Cds-SsSs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_4COS->C_2CS->C_Sp-2C=1COS_Sp-4C-1COS_Ext-1COS-R_N-5R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 H u0 {1,S} -5 S2s u0 {2,S} -6 S2s u0 {2,S} +1 *1 C u0 r0 {2,D} {4,S} {5,S} +2 *2 C u0 r0 {1,D} +3 *3 H u1 r0 +4 C u0 r0 {1,S} +5 C u0 r0 {1,S} """, kinetics = None, ) entry( index = 388, - label = "Cds-CtH_Cds-OneDe", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_4COS->C_2CS->C_Sp-2C=1COS_N-Sp-4C-1COS", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 H u0 {1,S} -5 [H,Cs,O2s,S2s] u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,D} +2 *2 C u0 r0 {1,D} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,D} """, kinetics = None, ) entry( index = 389, - label = "Cds-CtH_Cds-OneDeH", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_4COS->C_2CS->C_N-Sp-2C=1COS", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 H u0 {1,S} -5 H u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 [O,S,C] u0 {2,T} {4,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,T} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 390, - label = "Cds-CtH_Cds-CtH", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_4COS->C_N-2CS->C", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 H u0 {1,S} -5 H u0 {2,S} -6 Ct u0 {2,S} +1 *1 [O,S,C] u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 S u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 391, - label = "Cds-CtH_Cds-CbH", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_4COS->C_N-2CS->C_Ext-1COS-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 H u0 {1,S} -5 H u0 {2,S} -6 Cb u0 {2,S} +1 *1 [O,S,C] u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 S u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} +5 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 392, - label = "Cds-CtH_Cds-COH", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_4COS->C_N-2CS->C_Ext-1COS-R_5R!H->O", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 H u0 {1,S} -5 H u0 {2,S} -6 CO u0 {2,S} +1 *1 [O,S,C] u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 S u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} +5 O ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 393, - label = "Cds-CtH_Cds-CdH", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_4COS->C_N-2CS->C_Ext-1COS-R_N-5R!H->O", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 Ct u0 {2,S} -6 H u0 {2,S} -7 C u0 {3,D} +1 *1 [O,S,C] u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 S u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} +5 [C,Si,S,N,P,F,I,Br,Cl] ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 394, - label = "Cds-CtH_Cds-C=SH", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_N-4COS->C", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 H u0 {1,S} -5 H u0 {2,S} -6 CS u0 {2,S} +1 *1 [O,S,C] u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 [O,S] u0 r0 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 395, - label = "Cds-CtH_Cds-OneDeCs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_N-4COS->C_Sp-4OS-1COOSS", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 H u0 {1,S} -5 Cs u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 [O,S,C] u0 {2,[D,T,B]} {4,S} +2 *2 [C,S] u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 [O,S] u0 r0 {1,S} """, kinetics = None, ) entry( index = 396, - label = "Cds-CtH_Cds-CtCs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_N-4COS->C_N-Sp-4OS-1COOSS", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 H u0 {1,S} -5 Cs u0 {2,S} -6 Ct u0 {2,S} +1 *1 [O,S,C] u0 {2,[D,T,B]} {4,D} +2 *2 [C,S] u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 [O,S] u0 r0 {1,D} """, kinetics = None, ) entry( index = 397, - label = "Cds-CtH_Cds-CbCs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_N-4COS->C_N-Sp-4OS-1COOSS_2CS->C", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 H u0 {1,S} -5 Cs u0 {2,S} -6 Cb u0 {2,S} +1 *1 [O,S,C] u0 {2,[D,T,B]} {4,D} +2 *2 C u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 [O,S] u0 r0 {1,D} """, kinetics = None, ) entry( index = 398, - label = "Cds-CtH_Cds-COCs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_N-4COS->C_N-Sp-4OS-1COOSS_N-2CS->C", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 H u0 {1,S} -5 Cs u0 {2,S} -6 CO u0 {2,S} +1 *1 [O,S,C] u0 {2,[D,T,B]} {4,D} +2 *2 S u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 [O,S] u0 r0 {1,D} """, kinetics = None, ) entry( index = 399, - label = "Cds-CtH_Cds-CdCs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_N-4R!H-u0", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 Ct u0 {2,S} -6 H u0 {2,S} -7 C u0 {3,D} +1 *1 [O,S,C] u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 R!H u1 r0 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 400, - label = "Cds-CtH_Cds-C=SCs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_N-4R!H-u0_Ext-2COS-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 H u0 {1,S} -5 Cs u0 {2,S} -6 CS u0 {2,S} +1 *1 [O,S,C] u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,[D,T,B]} {5,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u1 r0 {1,[S,D,T,B,Q]} +5 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 401, - label = "Cds-CtH_Cds-OneDeOs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_Sp-5R!H-4R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 H u0 {1,S} -5 O2s u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 [O,S,C] u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,S} +5 R!H ux {4,S} """, kinetics = None, ) entry( index = 402, - label = "Cds-CtH_Cds-CtOs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_Sp-5R!H-4R!H_Sp-2COS=1CCOOSS", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 H u0 {1,S} -5 O2s u0 {2,S} -6 Ct u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,S} +5 R!H ux {4,S} """, kinetics = None, ) entry( index = 403, - label = "Cds-CtH_Cds-CbOs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_Sp-5R!H-4R!H_Sp-2COS=1CCOOSS_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 H u0 {1,S} -5 O2s u0 {2,S} -6 Cb u0 {2,S} +1 *1 [O,S,C] u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,S} +5 R!H ux {4,S} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 404, - label = "Cds-CtH_Cds-COOs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_Sp-5R!H-4R!H_Sp-2COS=1CCOOSS_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_1COS-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 H u0 {1,S} -5 O2s u0 {2,S} -6 CO u0 {2,S} +1 *1 [O,S,C] u0 r1 {2,D} {4,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,S} +5 R!H ux {4,S} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 405, - label = "Cds-CtH_Cds-CdOs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_Sp-5R!H-4R!H_Sp-2COS=1CCOOSS_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_N-1COS-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 H u0 {1,S} -5 O2s u0 {2,S} -6 Cd u0 {2,S} {7,D} -7 C u0 {6,D} +1 *1 [O,S,C] u0 r0 {2,D} {4,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,S} +5 R!H ux {4,S} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 406, - label = "Cds-CtH_Cds-C=SOs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_Sp-5R!H-4R!H_N-Sp-2COS=1CCOOSS", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 H u0 {1,S} -5 O2s u0 {2,S} -6 CS u0 {2,S} +1 *1 [O,S,C] u0 {2,T} {4,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,T} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,S} +5 R!H ux {4,S} """, kinetics = None, ) entry( index = 407, - label = "Cds-CtH_Cds-OneDeSs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 H u0 {1,S} -5 S2s u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 [O,S,C] u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} """, kinetics = None, ) entry( index = 408, - label = "Cds-CtH_Cds-CtSs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_1COS-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 H u0 {1,S} -5 S2s u0 {2,S} -6 Ct u0 {2,S} +1 *1 [O,S,C] u0 r1 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} """, kinetics = None, ) entry( index = 409, - label = "Cds-CtH_Cds-CbSs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Int-7R!H-6R!H_Sp-7R!H-6R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 H u0 {1,S} -5 S2s u0 {2,S} -6 Cb u0 {2,S} +1 *1 [O,S,C] u0 r1 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,S} +7 R!H ux {6,S} """, kinetics = None, ) entry( index = 410, - label = "Cds-CtH_Cds-COSs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Int-7R!H-6R!H_N-Sp-7R!H-6R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 H u0 {1,S} -5 S2s u0 {2,S} -6 CO u0 {2,S} +1 *1 [O,S,C] u0 r1 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} """, kinetics = None, ) entry( index = 411, - label = "Cds-CtH_Cds-CdSs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Int-7R!H-6R!H_N-Sp-7R!H-6R!H_Ext-1COS-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 H u0 {1,S} -5 S2s u0 {2,S} -6 Cd u0 {2,S} {7,D} -7 C u0 {6,D} +1 *1 [O,S,C] u0 r1 {2,[D,T,B]} {4,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} +8 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 412, - label = "Cds-CtH_Cds-C=SSs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 H u0 {1,S} -5 S2s u0 {2,S} -6 CS u0 {2,S} +1 *1 [O,S,C] u0 r0 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} """, kinetics = None, ) entry( index = 413, - label = "Cds-CtH_Cds-TwoDe", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Sp-7R!H=6R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 H u0 {1,S} -5 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 [O,S,C] u0 r0 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,D} +7 R!H ux {6,D} """, kinetics = None, ) entry( index = 414, - label = "Cds-CtH_Cds-CtCt", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 H u0 {1,S} -5 Ct u0 {2,S} -6 Ct u0 {2,S} +1 *1 [O,S,C] u0 r0 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[S,T,Q,B]} +7 R!H ux {6,[S,T,Q,B]} """, kinetics = None, ) entry( index = 415, - label = "Cds-CtH_Cds-CtCb", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 H u0 {1,S} -5 Ct u0 {2,S} -6 Cb u0 {2,S} +1 *1 [O,S,C] u0 r0 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,[D,T,B]} {8,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[S,T,Q,B]} +7 R!H ux {6,[S,T,Q,B]} +8 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 416, - label = "Cds-CtH_Cds-CtCO", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_Ext-2COS-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 H u0 {1,S} -5 Ct u0 {2,S} -6 CO u0 {2,S} +1 *1 [O,S,C] u0 r0 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[S,T,Q,B]} +7 R!H ux {6,[S,T,Q,B]} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 417, - label = "Cds-CtH_Cds-CbCb", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_Ext-2COS-R_Ext-8R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 H u0 {1,S} -5 Cb u0 {2,S} -6 Cb u0 {2,S} +1 *1 [O,S,C] u0 r0 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[S,T,Q,B]} +7 R!H ux {6,[S,T,Q,B]} +8 R!H ux {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +10 R!H ux {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 418, - label = "Cds-CtH_Cds-CbCO", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_Ext-2COS-R_Ext-8R!H-R_Sp-10R!H#8R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 H u0 {1,S} -5 Cb u0 {2,S} -6 CO u0 {2,S} +1 *1 [O,S,C] u0 r0 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[S,T,Q,B]} +7 R!H ux {6,[S,T,Q,B]} +8 R!H ux {2,[S,D,T,B,Q]} {10,T} +9 R!H ux {2,[S,D,T,B,Q]} +10 R!H ux {8,T} """, kinetics = None, ) entry( index = 419, - label = "Cds-CtH_Cds-COCO", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_Ext-2COS-R_Ext-8R!H-R_Sp-10R!H#8R!H_Ext-9R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 H u0 {1,S} -5 CO u0 {2,S} -6 CO u0 {2,S} +1 *1 [O,S,C] u0 r0 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[S,T,Q,B]} +7 R!H ux {6,[S,T,Q,B]} +8 R!H ux {2,[S,D,T,B,Q]} {10,T} +9 R!H ux {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +10 R!H ux {8,T} +11 R!H ux {9,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 420, - label = "Cds-CtH_Cds-CdCt", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_Ext-2COS-R_Ext-8R!H-R_Sp-10R!H#8R!H_Ext-9R!H-R_Sp-11R!H=9R!H", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 Ct u0 {2,S} -6 H u0 {2,S} -7 C u0 {3,D} +1 *1 [O,S,C] u0 r0 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[S,T,Q,B]} +7 R!H ux {6,[S,T,Q,B]} +8 R!H ux {2,[S,D,T,B,Q]} {10,T} +9 R!H ux {2,[S,D,T,B,Q]} {11,D} +10 R!H ux {8,T} +11 R!H ux {9,D} """, kinetics = None, ) entry( index = 421, - label = "Cds-CtH_Cds-CdCb", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_Ext-2COS-R_Ext-8R!H-R_Sp-10R!H#8R!H_Ext-9R!H-R_N-Sp-11R!H=9R!H", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cb u0 {1,S} -5 Ct u0 {2,S} -6 H u0 {2,S} -7 C u0 {3,D} +1 *1 [O,S,C] u0 r0 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[S,T,Q,B]} +7 R!H ux {6,[S,T,Q,B]} +8 R!H ux {2,[S,D,T,B,Q]} {10,T} +9 R!H ux {2,[S,D,T,B,Q]} {11,[S,T,Q,B]} +10 R!H ux {8,T} +11 R!H ux {9,[S,T,Q,B]} """, kinetics = None, ) entry( index = 422, - label = "Cds-CtH_Cds-CdCO", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_Ext-2COS-R_Ext-8R!H-R_8R!H-inRing", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 CO u0 {1,S} -5 Ct u0 {2,S} -6 H u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 r0 {2,D} {4,S} +2 *2 C u0 r0 {1,D} {8,S} {9,S} +3 *3 H u1 r0 +4 C u0 r1 {1,S} {5,B} +5 C u0 r1 {4,B} {6,B} +6 C u0 r1 {5,B} {7,B} +7 C u0 r1 {6,B} +8 C u0 r1 {2,S} {10,[S,D,T,B,Q]} +9 C u0 r0 {2,S} +10 C u0 {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 423, - label = "Cds-CtH_Cds-CtC=S", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_Ext-2COS-R_Ext-8R!H-R_N-8R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 H u0 {1,S} -5 Ct u0 {2,S} -6 CS u0 {2,S} +1 *1 C u0 r0 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C ux {1,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 C ux {4,[B,D,T,Q]} {6,[S,D,T,B,Q]} +6 C ux {5,[S,D,T,B,Q]} {7,[S,T,Q,B]} +7 C ux {6,[S,T,Q,B]} +8 C ux r0 {2,[S,D,T,B,Q]} {10,D} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {8,D} """, kinetics = None, ) entry( index = 424, - label = "Cds-CtH_Cds-CbC=S", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_Ext-2COS-R_Ext-8R!H-R_N-8R!H-inRing_Ext-9R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 H u0 {1,S} -5 Cb u0 {2,S} -6 CS u0 {2,S} +1 *1 C u0 r0 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C ux r1 {1,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 C ux r1 {4,[B,D,T,Q]} {6,[S,D,T,B,Q]} +6 C ux r1 {5,[S,D,T,B,Q]} {7,[S,T,Q,B]} +7 C ux r1 {6,[S,T,Q,B]} +8 C ux r0 {2,[S,D,T,B,Q]} {10,D} +9 C ux {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +10 C ux r0 {8,D} +11 R!H ux {9,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 425, - label = "Cds-CtH_Cds-COC=S", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_8R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 H u0 {1,S} -5 CO u0 {2,S} -6 CS u0 {2,S} +1 *1 [O,S,C] u0 r0 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,[D,T,B]} {8,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[S,T,Q,B]} +7 R!H ux {6,[S,T,Q,B]} +8 R!H ux r1 {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 426, - label = "Cds-CtH_Cds-CdCd", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_N-8R!H-inRing", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 Ct u0 {2,S} -6 H u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 [O,S,C] u0 r0 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,[D,T,B]} {8,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[S,T,Q,B]} +7 R!H ux {6,[S,T,Q,B]} +8 R!H ux r0 {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 427, - label = "Cds-CtH_Cds-CdC=S", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_N-8R!H-inRing_Ext-8R!H-R", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 CS u0 {1,S} -5 Ct u0 {2,S} -6 H u0 {2,S} -7 C u0 {3,D} +1 *1 [O,S,C] u0 r0 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,[D,T,B]} {8,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[S,T,Q,B]} +7 R!H ux {6,[S,T,Q,B]} +8 R!H ux r0 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 428, - label = "Cds-CtH_Cds-C=SC=S", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_N-8R!H-inRing_Ext-8R!H-R_Sp-9R!H=8R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 H u0 {1,S} -5 CS u0 {2,S} -6 CS u0 {2,S} +1 *1 [O,S,C] u0 r0 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,[D,T,B]} {8,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[S,T,Q,B]} +7 R!H ux {6,[S,T,Q,B]} +8 R!H ux r0 {2,[S,D,T,B,Q]} {9,D} +9 R!H ux {8,D} """, kinetics = None, ) entry( index = 429, - label = "Cds-CbH_Cds", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_N-8R!H-inRing_Ext-8R!H-R_Sp-9R!H=8R!H_Sp-2COS=1CCOOSS", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 H u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} +1 *1 C u0 r0 {2,D} {4,S} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 H u1 r0 +4 C u0 r1 {1,S} {5,B} +5 C u0 r1 {4,B} {6,B} +6 C u0 r1 {5,B} {7,B} +7 C u0 r1 {6,B} +8 C u0 r0 {2,S} {9,D} +9 C u0 r0 {8,D} """, kinetics = None, ) entry( index = 430, - label = "Cds-CbH_Cds-HH", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_N-8R!H-inRing_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-2COS=1CCOOSS", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 H u0 {1,S} -5 H u0 {2,S} -6 H u0 {2,S} +1 *1 [O,S,C] u0 r0 {2,T} {4,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,T} {8,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[S,T,Q,B]} +7 R!H ux {6,[S,T,Q,B]} +8 R!H ux r0 {2,[S,D,T,B,Q]} {9,D} +9 R!H ux {8,D} """, kinetics = None, ) entry( index = 431, - label = "Cds-CbH_Cds-CsH", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_N-8R!H-inRing_Ext-8R!H-R_N-Sp-9R!H=8R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 H u0 {1,S} -5 Cs u0 {2,S} -6 H u0 {2,S} +1 *1 C u0 r0 {2,D} {4,S} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 H u1 r0 +4 C u0 r1 {1,S} {5,B} +5 C u0 r1 {4,B} {6,B} +6 C u0 r1 {5,B} {7,B} +7 C u0 r1 {6,B} +8 C u0 r0 {2,S} {9,T} +9 C u0 r0 {8,T} """, kinetics = None, ) entry( index = 432, - label = "Cds-CbH_Cds-CsCs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_N-8R!H-inRing_Sp-2COS=1CCOOSS", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 H u0 {1,S} -5 Cs u0 {2,S} -6 Cs u0 {2,S} +1 *1 [O,S,C] u0 r0 {2,D} {4,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} {8,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[S,T,Q,B]} +7 R!H ux {6,[S,T,Q,B]} +8 R!H ux r0 {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 433, - label = "Cds-CbH_Cds-OsH", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_N-8R!H-inRing_Sp-2COS=1CCOOSS_Sp-8R!H-2COS", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 H u0 {1,S} -5 O2s u0 {2,S} -6 H u0 {2,S} +1 *1 C u0 r0 {2,D} {4,S} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 H u1 r0 +4 C u0 r1 {1,S} {5,B} +5 C u0 r1 {4,B} {6,B} +6 C u0 r1 {5,B} {7,B} +7 C u0 r1 {6,B} +8 C u0 r0 {2,S} """, kinetics = None, ) entry( index = 434, - label = "Cds-CbH_Cds-OsCs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_N-8R!H-inRing_Sp-2COS=1CCOOSS_N-Sp-8R!H-2COS", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 H u0 {1,S} -5 O2s u0 {2,S} -6 Cs u0 {2,S} +1 *1 C u0 r0 {2,D} {4,S} +2 *2 C u0 r0 {1,D} {8,D} +3 *3 H u1 r0 +4 C u0 r1 {1,S} {5,B} +5 C u0 r1 {4,B} {6,B} +6 C u0 r1 {5,B} {7,B} +7 C u0 r1 {6,B} +8 C u0 r0 {2,D} """, kinetics = None, ) entry( index = 435, - label = "Cds-CbH_Cds-OsOs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_N-8R!H-inRing_N-Sp-2COS=1CCOOSS", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 H u0 {1,S} -5 O2s u0 {2,S} -6 O2s u0 {2,S} +1 *1 [O,S,C] u0 r0 {2,T} {4,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,T} {8,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[S,T,Q,B]} +7 R!H ux {6,[S,T,Q,B]} +8 R!H ux r0 {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 436, - label = "Cds-CbH_Cds-SsH", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Sp-2COS=1CCOOSS", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 H u0 {1,S} -5 S2s u0 {2,S} -6 H u0 {2,S} +1 *1 [O,S,C] u0 r0 {2,D} {4,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,D} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[S,T,Q,B]} +7 R!H ux {6,[S,T,Q,B]} """, kinetics = None, ) entry( index = 437, - label = "Cds-CbH_Cds-SsCs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_N-Sp-2COS=1CCOOSS", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 H u0 {1,S} -5 S2s u0 {2,S} -6 Cs u0 {2,S} +1 *1 [O,S,C] u0 r0 {2,T} {4,[S,D,T,B,Q]} +2 *2 [O,S,C] u0 r0 {1,T} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[S,T,Q,B]} +7 R!H ux {6,[S,T,Q,B]} """, kinetics = None, ) entry( index = 438, - label = "Cds-CbH_Cds-SsOs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_N-Sp-2COS=1CCOOSS_Ext-5R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 H u0 {1,S} -5 S2s u0 {2,S} -6 O2s u0 {2,S} +1 *1 C u0 r0 {2,T} {4,S} +2 *2 C u0 r0 {1,T} +3 *3 H u1 +4 C u0 {1,S} {5,B} +5 C u0 {4,B} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 C u0 {5,[S,D,T,B,Q]} {7,[S,T,Q,B]} +7 C u0 {6,[S,T,Q,B]} +8 C u0 {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 439, - label = "Cds-CbH_Cds-SsSs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_N-Sp-2COS=1CCOOSS_Ext-5R!H-R_Ext-6R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 H u0 {1,S} -5 S2s u0 {2,S} -6 S2s u0 {2,S} +1 *1 C u0 r0 {2,T} {4,S} +2 *2 C u0 r0 {1,T} +3 *3 H u1 +4 C u0 {1,S} {5,B} +5 C u0 {4,B} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 C u0 {5,[S,D,T,B,Q]} {7,[S,T,Q,B]} {9,[S,D,T,B,Q]} +7 C u0 {6,[S,T,Q,B]} +8 C u0 {5,[S,D,T,B,Q]} +9 C ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 440, - label = "Cds-CbH_Cds-OneDe", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_N-Sp-2COS=1CCOOSS_Ext-5R!H-R_Ext-6R!H-R_Ext-9R!H-R_Ext-9R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 H u0 {1,S} -5 [H,Cs,O2s,S2s] u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 C u0 r0 {2,T} {4,S} +2 *2 C u0 r0 {1,T} +3 *3 H u1 r0 +4 C u0 r1 {1,S} {5,B} +5 C u0 r1 {4,B} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 C u0 r1 {5,[S,D,T,B,Q]} {7,[S,T,Q,B]} {9,[S,D,T,B,Q]} +7 C u0 r1 {6,[S,T,Q,B]} +8 C u0 r1 {5,[S,D,T,B,Q]} +9 C ux r1 {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +10 R!H ux {9,[S,D,T,B,Q]} +11 R!H ux {9,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 441, - label = "Cds-CbH_Cds-OneDeH", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_2COS->O", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 H u0 {1,S} -5 H u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 C u0 r0 {2,D} +2 *2 O u0 r0 {1,D} +3 *3 H u1 r0 """, kinetics = None, ) entry( index = 442, - label = "Cds-CbH_Cds-CtH", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 H u0 {1,S} -5 H u0 {2,S} -6 Ct u0 {2,S} +1 *1 [O,S,C] u0 {2,[D,T,B]} +2 *2 [C,S] u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] """, kinetics = None, ) entry( index = 443, - label = "Cds-CbH_Cds-CbH", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_1COS->O", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 H u0 {1,S} -5 H u0 {2,S} -6 Cb u0 {2,S} +1 *1 O u0 {2,[D,T,B]} +2 *2 [C,S] u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] """, kinetics = None, ) entry( index = 444, - label = "Cds-CbH_Cds-COH", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_1COS->O_2CS->C", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 H u0 {1,S} -5 H u0 {2,S} -6 CO u0 {2,S} +1 *1 O u0 {2,[D,T,B]} +2 *2 C u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] """, kinetics = None, ) entry( index = 445, - label = "Cds-CbH_Cds-CdH", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_1COS->O_2CS->C_Ext-2C-R", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 Cb u0 {2,S} -6 H u0 {2,S} -7 C u0 {3,D} +1 *1 O u0 {2,[D,T,B]} +2 *2 C u0 r0 {1,[D,T,B]} {4,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 446, - label = "Cds-CbH_Cds-Cd(CdCb)H", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_1COS->O_2CS->C_Ext-2C-R_Ext-2C-R", group = """ -1 *2 Cd u0 {2,D} {3,S} {5,S} -2 *1 Cd u0 {1,D} {6,S} {7,S} -3 Cd u0 {1,S} {4,D} -4 Cd u0 {3,D} {8,S} -5 H u0 {1,S} -6 Cb u0 {2,S} -7 H u0 {2,S} -8 Cb u0 {4,S} +1 *1 O u0 {2,[D,T,B]} +2 *2 C u0 r0 {1,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {2,[S,D,T,B,Q]} +5 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 447, - label = "Cds-CbH_Cds-C=SH", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_1COS->O_2CS->C_Ext-2C-R_Ext-2C-R_Ext-4R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 H u0 {1,S} -5 H u0 {2,S} -6 CS u0 {2,S} +1 *1 O u0 {2,[D,T,B]} +2 *2 C u0 r0 {1,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {2,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux {2,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 448, - label = "Cds-CbH_Cds-OneDeCs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_1COS->O_2CS->C_Ext-2C-R_Ext-2C-R_Ext-4R!H-R_Sp-6R!H=4R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 H u0 {1,S} -5 Cs u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 O u0 {2,[D,T,B]} +2 *2 C u0 r0 {1,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {2,[S,D,T,B,Q]} {6,D} +5 R!H ux {2,[S,D,T,B,Q]} +6 R!H ux {4,D} """, kinetics = None, ) entry( index = 449, - label = "Cds-CbH_Cds-CtCs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_1COS->O_2CS->C_Ext-2C-R_Ext-2C-R_Ext-4R!H-R_N-Sp-6R!H=4R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 H u0 {1,S} -5 Cs u0 {2,S} -6 Ct u0 {2,S} +1 *1 O u0 {2,[D,T,B]} +2 *2 C u0 r0 {1,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {2,[S,D,T,B,Q]} {6,[S,T,Q,B]} +5 R!H ux {2,[S,D,T,B,Q]} +6 R!H ux {4,[S,T,Q,B]} """, kinetics = None, ) entry( index = 450, - label = "Cds-CbH_Cds-CbCs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_1COS->O_2CS->C_Ext-2C-R_Ext-4R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 H u0 {1,S} -5 Cs u0 {2,S} -6 Cb u0 {2,S} +1 *1 O u0 {2,[D,T,B]} +2 *2 C u0 r0 {1,[D,T,B]} {4,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {2,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 451, - label = "Cds-CbH_Cds-COCs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_1COS->O_2CS->C_Ext-2C-R_Ext-4R!H-R_Sp-5R!H=4R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 H u0 {1,S} -5 Cs u0 {2,S} -6 CO u0 {2,S} +1 *1 O u0 {2,[D,T,B]} +2 *2 C u0 r0 {1,[D,T,B]} {4,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {2,[S,D,T,B,Q]} {5,D} +5 R!H ux {4,D} """, kinetics = None, ) entry( index = 452, - label = "Cds-CbH_Cds-CdCs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_1COS->O_2CS->C_Ext-2C-R_Ext-4R!H-R_N-Sp-5R!H=4R!H", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 Cb u0 {2,S} -6 H u0 {2,S} -7 C u0 {3,D} +1 *1 O u0 {2,[D,T,B]} +2 *2 C u0 r0 {1,[D,T,B]} {4,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {2,[S,D,T,B,Q]} {5,[S,T,Q,B]} +5 R!H ux {4,[S,T,Q,B]} """, kinetics = None, ) entry( index = 453, - label = "Cds-CbH_Cds-C=SCs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_1COS->O_N-2CS->C", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 H u0 {1,S} -5 Cs u0 {2,S} -6 CS u0 {2,S} +1 *1 O u0 {2,[D,T,B]} +2 *2 S u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] """, kinetics = None, ) entry( index = 454, - label = "Cds-CbH_Cds-OneDeOs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 H u0 {1,S} -5 O2s u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 [C,S] u0 {2,[D,T,B]} +2 *2 [C,S] u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] """, kinetics = None, ) entry( index = 455, - label = "Cds-CbH_Cds-CtOs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 H u0 {1,S} -5 O2s u0 {2,S} -6 Ct u0 {2,S} +1 *1 [C,S] u0 {2,D} +2 *2 [C,S] u0 r0 {1,D} +3 *3 H u[1,2,3,4] """, kinetics = None, ) entry( index = 456, - label = "Cds-CbH_Cds-CbOs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 H u0 {1,S} -5 O2s u0 {2,S} -6 Cb u0 {2,S} +1 *1 [C,S] u0 {2,D} +2 *2 C u0 r0 {1,D} +3 *3 H u[1,2,3,4] """, kinetics = None, ) entry( index = 457, - label = "Cds-CbH_Cds-COOs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 H u0 {1,S} -5 O2s u0 {2,S} -6 CO u0 {2,S} +1 *1 [C,S] u0 {2,D} +2 *2 C u0 r0 {1,D} {4,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 458, - label = "Cds-CbH_Cds-CdOs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 H u0 {1,S} -5 O2s u0 {2,S} -6 Cd u0 {2,S} {7,D} -7 C u0 {6,D} +1 *1 [C,S] u0 {2,D} +2 *2 C u0 r0 {1,D} {4,S} +3 *3 H u[1,2,3,4] +4 R!H ux {2,S} """, kinetics = None, ) entry( index = 459, - label = "Cds-CbH_Cds-C=SOs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_4R!H->O", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 H u0 {1,S} -5 O2s u0 {2,S} -6 CS u0 {2,S} +1 *1 [C,S] u0 {2,D} +2 *2 C u0 r0 {1,D} {4,S} +3 *3 H u[1,2,3,4] +4 O ux {2,S} """, kinetics = None, ) entry( index = 460, - label = "Cds-CbH_Cds-OneDeSs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_4R!H->O_1CS->C", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 H u0 {1,S} -5 S2s u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 C u0 {2,D} +2 *2 C u0 r0 {1,D} {4,S} +3 *3 H u[1,2,3,4] +4 O ux {2,S} """, kinetics = None, ) entry( index = 461, - label = "Cds-CbH_Cds-CtSs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_4R!H->O_N-1CS->C", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 H u0 {1,S} -5 S2s u0 {2,S} -6 Ct u0 {2,S} +1 *1 S u0 {2,D} +2 *2 C u0 r0 {1,D} {4,S} +3 *3 H u[1,2,3,4] +4 O ux {2,S} """, kinetics = None, ) entry( index = 462, - label = "Cds-CbH_Cds-CbSs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 H u0 {1,S} -5 S2s u0 {2,S} -6 Cb u0 {2,S} +1 *1 [C,S] u0 {2,D} +2 *2 C u0 r0 {1,D} {4,S} +3 *3 H u[1,2,3,4] +4 C ux {2,S} """, kinetics = None, ) entry( index = 463, - label = "Cds-CbH_Cds-COSs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_4C-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 H u0 {1,S} -5 S2s u0 {2,S} -6 CO u0 {2,S} +1 *1 [C,S] u0 {2,D} +2 *2 C u0 r0 {1,D} {4,S} +3 *3 H u[1,2,3,4] +4 C ux r1 {2,S} """, kinetics = None, ) entry( index = 464, - label = "Cds-CbH_Cds-CdSs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_4C-inRing_Ext-4C-R_Sp-5R!H-4C", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 H u0 {1,S} -5 S2s u0 {2,S} -6 Cd u0 {2,S} {7,D} -7 C u0 {6,D} +1 *1 [C,S] u0 {2,D} +2 *2 C u0 r0 {1,D} {4,S} +3 *3 H u[1,2,3,4] +4 C ux r1 {2,S} {5,S} +5 R!H ux {4,S} """, kinetics = None, ) entry( index = 465, - label = "Cds-CbH_Cds-C=SSs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_4C-inRing_Ext-4C-R_N-Sp-5R!H-4C", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 H u0 {1,S} -5 S2s u0 {2,S} -6 CS u0 {2,S} +1 *1 [C,S] u0 {2,D} +2 *2 C u0 r0 {1,D} {4,S} +3 *3 H u[1,2,3,4] +4 C ux r1 {2,S} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} """, kinetics = None, ) entry( index = 466, - label = "Cds-CbH_Cds-TwoDe", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_4C-inRing_Ext-4C-R_N-Sp-5R!H-4C_Ext-2C-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 H u0 {1,S} -5 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 [C,S] u0 {2,D} +2 *2 C u0 r0 {1,D} {4,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C ux r1 {2,S} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} +6 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 467, - label = "Cds-CbH_Cds-CtCt", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 H u0 {1,S} -5 Ct u0 {2,S} -6 Ct u0 {2,S} +1 *1 [C,S] u0 {2,D} +2 *2 C u0 r0 {1,D} {4,S} +3 *3 H u[1,2,3,4] +4 C ux r0 {2,S} """, kinetics = None, ) entry( index = 468, - label = "Cds-CbH_Cds-CtCb", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-2C-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 H u0 {1,S} -5 Ct u0 {2,S} -6 Cb u0 {2,S} +1 *1 [C,S] u0 {2,D} +2 *2 C u0 r0 {1,D} {4,S} {5,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C ux r0 {2,S} +5 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 469, - label = "Cds-CbH_Cds-CtCO", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-2C-R_Ext-4C-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 H u0 {1,S} -5 Ct u0 {2,S} -6 CO u0 {2,S} +1 *1 [C,S] u0 {2,D} +2 *2 C u0 r0 {1,D} {4,S} {5,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C ux r0 {2,S} {6,[S,D,T,B,Q]} +5 R!H ux {2,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 470, - label = "Cds-CbH_Cds-CbCb", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-2C-R_Ext-4C-R_Ext-6R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 H u0 {1,S} -5 Cb u0 {2,S} -6 Cb u0 {2,S} +1 *1 [C,S] u0 {2,D} +2 *2 C u0 r0 {1,D} {4,S} {5,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C ux r0 {2,S} {6,[S,D,T,B,Q]} +5 R!H ux {2,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 471, - label = "Cds-CbH_Cds-CbCO", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-2C-R_Ext-4C-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 H u0 {1,S} -5 Cb u0 {2,S} -6 CO u0 {2,S} +1 *1 [C,S] u0 {2,D} +2 *2 C u0 r0 {1,D} {4,S} {5,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C ux r0 {2,S} {6,[S,D,T,B,Q]} +5 R!H ux {2,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 R!H ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 472, - label = "Cds-CbH_Cds-COCO", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-2C-R_Ext-4C-R_Sp-6R!H#4C", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 H u0 {1,S} -5 CO u0 {2,S} -6 CO u0 {2,S} +1 *1 [C,S] u0 {2,D} +2 *2 C u0 r0 {1,D} {4,S} {5,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C ux r0 {2,S} {6,T} +5 R!H ux {2,[S,D,T,B,Q]} +6 R!H ux {4,T} """, kinetics = None, ) entry( index = 473, - label = "Cds-CbH_Cds-CdCt", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-2C-R_Ext-4C-R_Sp-6R!H#4C_Ext-5R!H-R", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 Cb u0 {2,S} -6 H u0 {2,S} -7 C u0 {3,D} +1 *1 [C,S] u0 {2,D} +2 *2 C u0 r0 {1,D} {4,S} {5,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C ux r0 {2,S} {6,T} +5 R!H ux {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {4,T} +7 R!H ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 474, - label = "Cds-CbH_Cds-CdCb", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-2C-R_Ext-4C-R_Sp-6R!H#4C_Ext-5R!H-R_Sp-7R!H=5R!H", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cb u0 {1,S} -5 Cb u0 {2,S} -6 H u0 {2,S} -7 C u0 {3,D} +1 *1 [C,S] u0 {2,D} +2 *2 C u0 r0 {1,D} {4,S} {5,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C ux r0 {2,S} {6,T} +5 R!H ux {2,[S,D,T,B,Q]} {7,D} +6 R!H ux {4,T} +7 R!H ux {5,D} """, kinetics = None, ) entry( index = 475, - label = "Cds-CbH_Cds-CdCO", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-2C-R_Ext-4C-R_Sp-6R!H#4C_Ext-5R!H-R_N-Sp-7R!H=5R!H", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 CO u0 {1,S} -5 Cb u0 {2,S} -6 H u0 {2,S} -7 C u0 {3,D} +1 *1 [C,S] u0 {2,D} +2 *2 C u0 r0 {1,D} {4,S} {5,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C ux r0 {2,S} {6,T} +5 R!H ux {2,[S,D,T,B,Q]} {7,[S,T,Q,B]} +6 R!H ux {4,T} +7 R!H ux {5,[S,T,Q,B]} """, kinetics = None, ) entry( index = 476, - label = "Cds-CbH_Cds-CtC=S", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-2C-R_Ext-4C-R_N-Sp-6R!H#4C", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 H u0 {1,S} -5 Ct u0 {2,S} -6 CS u0 {2,S} +1 *1 [C,S] u0 {2,D} +2 *2 C u0 r0 {1,D} {4,S} {5,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C ux r0 {2,S} {6,[S,D]} +5 R!H ux {2,[S,D,T,B,Q]} +6 R!H ux {4,[S,D]} """, kinetics = None, ) entry( index = 477, - label = "Cds-CbH_Cds-CbC=S", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-2C-R_Ext-4C-R_N-Sp-6R!H#4C_Ext-5R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 H u0 {1,S} -5 Cb u0 {2,S} -6 CS u0 {2,S} +1 *1 [C,S] u0 {2,D} +2 *2 C u0 r0 {1,D} {4,S} {5,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C ux r0 {2,S} {6,[S,D]} +5 R!H ux {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {4,[S,D]} +7 R!H ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 478, - label = "Cds-CbH_Cds-COC=S", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-4C-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 H u0 {1,S} -5 CO u0 {2,S} -6 CS u0 {2,S} +1 *1 [C,S] u0 {2,D} +2 *2 C u0 r0 {1,D} {4,S} +3 *3 H u[1,2,3,4] +4 C ux r0 {2,S} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 479, - label = "Cds-CbH_Cds-CdCd", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-4C-R_N-Sp-5R!H-4C", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 Cb u0 {2,S} -6 H u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 [C,S] u0 {2,D} +2 *2 C u0 r0 {1,D} {4,S} +3 *3 H u[1,2,3,4] +4 C ux r0 {2,S} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} """, kinetics = None, ) entry( index = 480, - label = "Cds-CbH_Cds-CdC=S", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-4C-R_N-Sp-5R!H-4C_Ext-5R!H-R", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 CS u0 {1,S} -5 Cb u0 {2,S} -6 H u0 {2,S} -7 C u0 {3,D} +1 *1 [C,S] u0 {2,D} +2 *2 C u0 r0 {1,D} {4,S} +3 *3 H u[1,2,3,4] +4 C ux r0 {2,S} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 481, - label = "Cds-CbH_Cds-C=SC=S", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-4C-R_N-Sp-5R!H-4C_Sp-5R!H=4C", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 H u0 {1,S} -5 CS u0 {2,S} -6 CS u0 {2,S} +1 *1 [C,S] u0 {2,D} +2 *2 C u0 r0 {1,D} {4,S} +3 *3 H u[1,2,3,4] +4 C ux r0 {2,S} {5,D} +5 R!H ux {4,D} """, kinetics = None, ) entry( index = 482, - label = "Cds-COH_Cds", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-4C-R_N-Sp-5R!H-4C_N-Sp-5R!H=4C", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 CO u0 {1,S} -4 H u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {4,S} +3 *3 H u1 r0 +4 C u0 r0 {2,S} {5,T} +5 C u0 r0 {4,T} """, kinetics = None, ) entry( index = 483, - label = "Cds-CdH_Cds", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-4C-R_5R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} -7 C u0 {3,D} +1 *1 [C,S] u0 {2,D} +2 *2 C u0 r0 {1,D} {4,S} +3 *3 H u[1,2,3,4] +4 C ux r0 {2,S} {5,[S,D,T,B,Q]} +5 R!H ux r1 {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 484, - label = "Cds-CdH_Cds-HH", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-4C-R_N-5R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 H u0 {2,S} -6 H u0 {2,S} -7 C u0 {3,D} +1 *1 [C,S] u0 {2,D} +2 *2 C u0 r0 {1,D} {4,S} +3 *3 H u[1,2,3,4] +4 C ux r0 {2,S} {5,[S,D,T,B,Q]} +5 R!H ux r0 {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 485, - label = "Cds-CdH_Cds-CsH", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-4C-R_N-5R!H-inRing_5R!H->C", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 Cs u0 {2,S} -6 H u0 {2,S} -7 C u0 {3,D} +1 *1 [C,S] u0 {2,D} +2 *2 C u0 r0 {1,D} {4,S} +3 *3 H u[1,2,3,4] +4 C ux r0 {2,S} {5,[S,D,T,B,Q]} +5 C ux r0 {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 486, - label = "Cds-CdH_Cds-(CsH-Cs-Cds)_cyc6", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-4C-R_N-5R!H-inRing_N-5R!H->C", group = """ -1 *1 Cd u0 {2,D} {3,S} {7,S} -2 *2 Cd u0 {1,D} {4,S} {8,S} -3 Cd u0 {1,S} {5,D} -4 Cs u0 {2,S} {6,S} -5 Cd u0 {3,D} {6,S} -6 Cs u0 {4,S} {5,S} -7 H u0 {1,S} -8 H u0 {2,S} +1 *1 [C,S] u0 {2,D} +2 *2 C u0 r0 {1,D} {4,S} +3 *3 H u[1,2,3,4] +4 C ux r0 {2,S} {5,[S,D,T,B,Q]} +5 O ux r0 {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 487, - label = "Cds-CdH_Cds-(CsH-Cds)_cyc5", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_N-Sp-4R!H-2C", group = """ -1 *1 Cd u0 {2,D} {3,S} {6,S} -2 *2 Cd u0 {1,D} {4,S} {7,S} -3 Cd u0 {1,S} {5,D} -4 Cs u0 {2,S} {5,S} -5 C u0 {3,D} {4,S} -6 H u0 {1,S} -7 H u0 {2,S} +1 *1 [C,S] u0 {2,D} +2 *2 C u0 r0 {1,D} {4,[B,D,T,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {2,[B,D,T,Q]} """, kinetics = None, ) entry( index = 488, - label = "Cds-CdH_Cds-CsCs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_N-Sp-4R!H-2C_Ext-4R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 Cs u0 {2,S} -6 Cs u0 {2,S} -7 C u0 {3,D} +1 *1 [C,S] u0 {2,D} +2 *2 C u0 r0 {1,D} {4,[B,D,T,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {2,[B,D,T,Q]} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 489, - label = "Cds-CdH_Cds-OsH", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_N-Sp-4R!H-2C_Ext-4R!H-R_5R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 O2s u0 {2,S} -6 H u0 {2,S} -7 C u0 {3,D} +1 *1 [C,S] u0 {2,D} +2 *2 C u0 r0 {1,D} {4,[B,D,T,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {2,[B,D,T,Q]} {5,[S,D,T,B,Q]} +5 R!H ux r1 {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 490, - label = "Cds-CdH_Cds-OsCs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_N-Sp-4R!H-2C_Ext-4R!H-R_N-5R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 O2s u0 {2,S} -6 Cs u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {4,D} +3 *3 H u1 r0 +4 C u0 r0 {2,D} {5,D} +5 C u0 r0 {4,D} """, kinetics = None, ) entry( index = 491, - label = "Cds-CdH_Cds-OsOs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_N-Sp-4R!H-2C_4R!H->C", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 O2s u0 {2,S} -6 O2s u0 {2,S} -7 C u0 {3,D} +1 *1 [C,S] u0 {2,D} +2 *2 C u0 r0 {1,D} {4,[B,D,T,Q]} +3 *3 H u[1,2,3,4] +4 C ux {2,[B,D,T,Q]} """, kinetics = None, ) entry( index = 492, - label = "Cds-CdH_Cds-SsH", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_N-Sp-4R!H-2C_N-4R!H->C", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 S2s u0 {2,S} -6 H u0 {2,S} -7 C u0 {3,D} +1 *1 [C,S] u0 {2,D} +2 *2 C u0 r0 {1,D} {4,[B,D,T,Q]} +3 *3 H u[1,2,3,4] +4 O ux {2,[B,D,T,Q]} """, kinetics = None, ) entry( index = 493, - label = "Cds-CdH_Cds-SsCs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_1CS->C", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 S2s u0 {2,S} -6 Cs u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} +3 *3 H u1 r0 """, kinetics = None, ) entry( index = 494, - label = "Cds-CdH_Cds-SsOs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_N-1CS->C", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 S2s u0 {2,S} -6 O2s u0 {2,S} -7 C u0 {3,D} +1 *1 S u0 {2,D} +2 *2 C u0 r0 {1,D} +3 *3 H u[1,2,3,4] """, kinetics = None, ) entry( index = 495, - label = "Cds-CdH_Cds-SsSs", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_N-2CS->C", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 S2s u0 {2,S} -6 S2s u0 {2,S} -7 C u0 {3,D} +1 *1 [C,S] u0 {2,D} +2 *2 S u0 r0 {1,D} +3 *3 H u[1,2,3,4] """, kinetics = None, ) entry( index = 496, - label = "Cds-CdH_Cds-OneDe", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_N-Sp-2CS=1CCSS", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 R u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} -7 C u0 {3,D} +1 *1 [C,S] u0 {2,T} +2 *2 [C,S] u0 r0 {1,T} +3 *3 H u[1,2,3,4] """, kinetics = None, ) entry( index = 497, - label = "Cds-CdH_Cds-OneDeH", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 H u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} -7 C u0 {3,D} +1 *1 [C,S] u0 {2,T} +2 *2 [C,S] u0 r0 {1,T} {4,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 498, - label = "Cds-CdH_Cds-CtH", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_Ext-4R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 H u0 {2,S} -6 Ct u0 {2,S} -7 C u0 {3,D} +1 *1 [C,S] u0 {2,T} +2 *2 [C,S] u0 r0 {1,T} {4,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {2,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 499, - label = "Cds-CdH_Cds-CbH", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_Ext-4R!H-R_5R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 H u0 {2,S} -6 Cb u0 {2,S} -7 C u0 {3,D} +1 *1 [C,S] u0 {2,T} +2 *2 [C,S] u0 r0 {1,T} {4,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {2,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 R!H ux r1 {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 500, - label = "Cds(CdCb)-CdH_Cds-CbH_cycle", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_Ext-4R!H-R_N-5R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {7,S} -2 *2 Cd u0 {1,D} {4,S} {8,S} -3 Cd u0 {1,S} {5,D} -4 Cb u0 {2,S} {6,B} -5 Cd u0 {3,D} {6,S} -6 Cb u0 {4,B} {5,S} -7 H u0 {1,S} -8 H u0 {2,S} +1 *1 [C,S] u0 {2,T} +2 *2 [C,S] u0 r0 {1,T} {4,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {2,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 R!H ux r0 {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 501, - label = "Cds-CdH_Cds-Cb(Cb)H_cycle", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_Ext-4R!H-R_N-5R!H-inRing_Ext-5R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {6,S} -2 *2 Cd u0 {1,D} {4,S} {7,S} -3 Cd u0 {1,S} {5,S} {8,D} -4 Cb u0 {2,S} {5,B} -5 Cb u0 {3,S} {4,B} -6 H u0 {1,S} -7 H u0 {2,S} -8 C u0 {3,D} +1 *1 [C,S] u0 {2,T} +2 *2 [C,S] u0 r0 {1,T} {4,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {2,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 R!H ux r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 502, - label = "Cds-CdH_Cds-COH", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_Ext-4R!H-R_N-5R!H-inRing_Sp-5R!H=4R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 H u0 {2,S} -6 CO u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 r0 {2,T} +2 *2 C u0 r0 {1,T} {4,S} +3 *3 H u1 r0 +4 C u0 r0 {2,S} {5,D} +5 C u0 r0 {4,D} """, kinetics = None, ) entry( index = 503, - label = "Cds-CdH_Cds-CdH", + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_Ext-4R!H-R_N-5R!H-inRing_N-Sp-5R!H=4R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {5,S} -2 *2 Cd u0 {1,D} {4,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {2,S} {8,D} -5 H u0 {1,S} -6 H u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 r0 {2,T} +2 *2 C u0 r0 {1,T} {4,S} +3 *3 H u1 r0 +4 C u0 r0 {2,S} {5,T} +5 C u0 r0 {4,T} """, kinetics = None, ) entry( index = 504, - label = "Cds-CdH_Cds-CdH_cyc5_1", + label = "Root_3R-inRing", group = """ -1 *2 Cd u0 {2,D} {3,S} {6,S} -2 *1 Cd u0 {1,D} {4,S} {7,S} -3 Cd u0 {1,S} {5,S} {8,D} -4 Cd u0 {2,S} {5,D} -5 Cd u0 {3,S} {4,D} -6 H u0 {1,S} -7 H u0 {2,S} -8 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r1 """, kinetics = None, ) entry( index = 505, - label = "Cds-CdH_Cds-CdH_cyc5_2", + label = "Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R", group = """ -1 *1 Cd u0 {2,D} {3,S} {6,S} -2 *2 Cd u0 {1,D} {4,S} {7,S} -3 Cd u0 {1,S} {5,S} {8,D} -4 Cd u0 {2,S} {5,D} -5 Cd u0 {3,S} {4,D} -6 H u0 {1,S} -7 H u0 {2,S} -8 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u1 r1 {4,S} +4 R!H ux {3,S} """, kinetics = None, ) entry( index = 506, - label = "Cds-CdH_Cds-C=SH", + label = "Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_4R!H->O", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 H u0 {2,S} -6 CS u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u1 r1 {4,S} +4 O ux r1 {3,S} """, kinetics = None, ) entry( index = 507, - label = "Cds-CdH_Cds-OneDeCs", + label = "Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_N-4R!H->O", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 Cs u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u1 r1 {4,S} +4 C ux {3,S} """, kinetics = None, ) entry( index = 508, - label = "Cds-CdH_Cds-CtCs", + label = "Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_N-4R!H->O_1R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 Cs u0 {2,S} -6 Ct u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 r1 {2,D} +2 *2 C u0 {1,D} +3 *3 C u1 r1 {4,S} +4 C ux {3,S} """, kinetics = None, ) entry( index = 509, - label = "Cds-CdH_Cds-CbCs", + label = "Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_N-4R!H->O_1R!H-inRing_Ext-4C-R_Ext-5R!H-R_Ext-5R!H-R_Ext-5R!H-R_Ext-5R!H-R_Sp-6R!H-5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 Cs u0 {2,S} -6 Cb u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 r1 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 r1 {1,D} +3 *3 C u1 r1 {4,S} +4 C ux r1 {3,S} +5 C ux r1 {1,[S,D,T,B,Q]} {6,S} +6 C u0 r1 {5,S} """, kinetics = None, ) entry( index = 510, - label = "Cds-CdH_Cds-COCs", + label = "Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_N-4R!H->O_1R!H-inRing_Ext-4C-R_Ext-5R!H-R_Ext-5R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-6R!H-5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 Cs u0 {2,S} -6 CO u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 r1 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 r1 {1,D} +3 *3 C u1 r1 {4,S} +4 C ux r1 {3,S} +5 C ux r1 {1,[S,D,T,B,Q]} {6,[B,D,T,Q]} +6 C u0 r1 {5,[B,D,T,Q]} """, kinetics = None, ) entry( index = 511, - label = "Cds-CdH_Cds-CdCs", + label = "Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_N-4R!H->O_N-1R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {5,S} -2 *2 Cd u0 {1,D} {4,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {2,S} {8,D} -5 H u0 {1,S} -6 Cs u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 r0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u1 r1 {4,S} +4 C ux {3,S} """, kinetics = None, ) entry( index = 512, - label = "Cds-CdH_Cds-C=SCs", + label = "Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_N-4R!H->O_N-1R!H-inRing_Sp-2R!H=1R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 Cs u0 {2,S} -6 CS u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r1 {4,S} +4 C ux r1 {3,S} """, kinetics = None, ) entry( index = 513, - label = "Cds-CdH_Cds-OneDeOs", + label = "Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_N-4R!H->O_N-1R!H-inRing_N-Sp-2R!H=1R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 O2s u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 r0 {2,T} +2 *2 C u0 r0 {1,T} +3 *3 C u1 r1 {4,S} +4 C ux r1 {3,S} """, kinetics = None, ) entry( index = 514, - label = "Cds-CdH_Cds-CtOs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 O2s u0 {2,S} -6 Ct u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} """, kinetics = None, ) entry( index = 515, - label = "Cds-CdH_Cds-CbOs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 O2s u0 {2,S} -6 Cb u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 516, - label = "Cds-CdH_Cds-COOs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 O2s u0 {2,S} -6 CO u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 R!H ux r1 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 517, - label = "Cds-CdH_Cds-CdOs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 O2s u0 {2,S} -6 Cd u0 {2,S} {8,D} -7 C u0 {3,D} -8 C u0 {6,D} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 518, - label = "Cds-CdH_Cds-C=SOs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_1R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 O2s u0 {2,S} -6 CS u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 r1 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r1 {4,B} +4 C u0 r1 {3,B} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 519, - label = "Cds-CdH_Cds-OneDeSs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 S2s u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 r0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 520, - label = "Cds-CdH_Cds-CtSs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 S2s u0 {2,S} -6 Ct u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 r0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 521, - label = "Cds-CdH_Cds-CbSs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 S2s u0 {2,S} -6 Cb u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 r0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 C ux {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 522, - label = "Cds-CdH_Cds-COSs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 S2s u0 {2,S} -6 CO u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 r0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,B} +4 C u0 {3,B} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 C u0 r1 {2,[S,D,T,B,Q]} {8,B} +8 C ux {7,B} """, kinetics = None, ) entry( index = 523, - label = "Cds-CdH_Cds-CdSs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 S2s u0 {2,S} -6 Cd u0 {2,S} {8,D} -7 C u0 {3,D} -8 C u0 {6,D} +1 *1 C u0 r0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,B} +4 C u0 r1 {3,B} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 C u0 r1 {2,[S,D,T,B,Q]} {8,B} +8 C ux r1 {7,B} +9 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 524, - label = "Cds-CdH_Cds-C=SSs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 S2s u0 {2,S} -6 CS u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 r0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 525, - label = "Cds-CdH_Cds-TwoDe", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 r0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 526, - label = "Cds-CdH_Cds-CtCt", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 Ct u0 {2,S} -6 Ct u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,S} {8,[S,D,T,B,Q]} +8 C u0 {7,[S,D,T,B,Q]} +9 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +10 R!H ux {9,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 527, - label = "Cds-CdH_Cds-CtCb", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-8R!H=7R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 Ct u0 {2,S} -6 Cb u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 r0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 528, - label = "Cds-CdH_Cds-CtCO", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-8R!H=7R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 Ct u0 {2,S} -6 CO u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 r0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 529, - label = "Cds-CdH_Cds-CbCb", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 Cb u0 {2,S} -6 Cb u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 r0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} """, kinetics = None, ) entry( index = 530, - label = "Cds-CdH_Cds-CbCO", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 Cb u0 {2,S} -6 CO u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 r0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} """, kinetics = None, ) entry( index = 531, - label = "Cds-CdH_Cds-COCO", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-2R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 CO u0 {2,S} -6 CO u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 r0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 532, - label = "Cds-CdH_Cds-CdCt", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Sp-7R!H-2R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {5,S} -2 *2 Cd u0 {1,D} {4,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {2,S} {8,D} -5 H u0 {1,S} -6 Ct u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 r0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,S} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,S} """, kinetics = None, ) entry( index = 533, - label = "Cds-CdH_Cds-CdCb", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_N-Sp-7R!H-2R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {5,S} -2 *2 Cd u0 {1,D} {4,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {2,S} {8,D} -5 H u0 {1,S} -6 Cb u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 r0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,D} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,D} """, kinetics = None, ) entry( index = 534, - label = "Cds-CdH_Cds-CdCO", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {5,S} -2 *2 Cd u0 {1,D} {4,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {2,S} {8,D} -5 H u0 {1,S} -6 CO u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r1 {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 535, - label = "Cds-CdH_Cds-CtC=S", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 Ct u0 {2,S} -6 CS u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r1 {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +7 C ux {5,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 536, - label = "Cds-CdH_Cds-CbC=S", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_6R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 Cb u0 {2,S} -6 CS u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u1 r1 {4,B} +4 C u0 {3,B} +5 C u0 r1 {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 C u0 r1 {2,[S,D,T,B,Q]} {9,B} +7 C ux {5,[S,D,T,B,Q]} {8,B} +8 C u0 {7,B} +9 C ux {6,B} """, kinetics = None, ) entry( index = 537, - label = "Cds-CdH_Cds-COC=S", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-2R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 CO u0 {2,S} -6 CS u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u1 r1 {4,B} +4 C u0 r1 {3,B} +5 C u0 r1 {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 C u0 r1 {2,[S,D,T,B,Q]} {9,B} +7 C ux r1 {5,[S,D,T,B,Q]} {8,B} +8 C u0 r1 {7,B} +9 C ux r1 {6,B} +10 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 538, - label = "Cds-CdH_Cds-CdCd", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_N-6R!H-inRing", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {8,D} -4 Cd u0 {1,S} {9,D} -5 Cd u0 {2,S} {7,D} -6 H u0 {2,S} -7 C u0 {5,D} -8 C u0 {3,D} -9 C u0 {4,D} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r1 {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +7 C ux {5,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 539, - label = "Cds-CdH_Cds-CdCd_cyc6", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R", group = """ -1 *2 Cd u0 {2,S} {3,D} {4,S} -2 Cd u0 {1,S} {5,S} {10,D} -3 *1 Cd u0 {1,D} {8,S} {9,S} -4 Cd u0 {1,S} {6,D} -5 Cd u0 {2,S} {7,D} -6 Cd u0 {4,D} {7,S} -7 Cd u0 {5,D} {6,S} -8 Cd u0 {3,S} {11,D} -9 H u0 {3,S} -10 C u0 {2,D} -11 C u0 {8,D} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r1 {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +7 C ux {5,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {6,[S,D,T,B,Q]} +10 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 540, - label = "Cds-CdH_Cds-CdCd_cyc6_cyc5", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R_Ext-10R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} {9,S} -4 H u0 {1,S} -5 Cd u0 {2,S} {8,D} -6 Cd u0 {2,S} {9,D} {11,S} -7 C u0 {3,D} -8 Cd u0 {5,D} {10,S} -9 C u0 {3,S} {6,D} -10 Cd u0 {8,S} {11,D} -11 Cd u0 {6,S} {10,D} +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} {10,S} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r1 {1,S} {7,B} +6 C ux r0 {2,S} {9,[S,D,T,B,Q]} +7 C u0 r1 {5,B} {8,[S,D,T,B,Q]} +8 C ux r1 {7,[S,D,T,B,Q]} +9 C u0 {6,[S,D,T,B,Q]} +10 C u0 r0 {2,S} {11,[S,D,T,B,Q]} +11 R!H ux {10,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 541, - label = "Cds-CdH_Cds-CdC=S", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R_Sp-9R!H=6R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {5,S} -2 *2 Cd u0 {1,D} {4,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {2,S} {8,D} -5 H u0 {1,S} -6 CS u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r1 {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {9,D} +7 C ux r1 {5,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux r1 {7,[S,D,T,B,Q]} +9 C ux {6,D} +10 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 542, - label = "Cds-CdH_Cds-C=SC=S", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R_N-Sp-9R!H=6R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 CS u0 {2,S} -6 CS u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r1 {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {9,T} +7 C ux r1 {5,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux r1 {7,[S,D,T,B,Q]} +9 C ux {6,T} +10 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 543, - label = "Cds-C=SH_Cds", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_N-6R!H-inRing_Sp-9R!H=6R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 CS u0 {1,S} -4 H u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r1 {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {9,D} +7 C ux r1 {5,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux r1 {7,[S,D,T,B,Q]} +9 C ux {6,D} """, kinetics = None, ) entry( index = 544, - label = "Cds-OneDeCs_Cds", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-9R!H=6R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -4 Cs u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r1 {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {9,T} +7 C ux r1 {5,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux r1 {7,[S,D,T,B,Q]} +9 C ux {6,T} """, kinetics = None, ) entry( index = 545, - label = "Cds-CtCs_Cds", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Sp-6R!H=2R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Cs u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,D} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r1 {1,[S,D,T,B,Q]} +6 C ux {2,D} """, kinetics = None, ) entry( index = 546, - label = "Cds-CtCs_Cds-HH", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_N-Sp-6R!H=2R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Cs u0 {1,S} -5 H u0 {2,S} -6 H u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,B]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r1 {1,[S,D,T,B,Q]} +6 C ux {2,[S,B]} """, kinetics = None, ) entry( index = 547, - label = "Cds-CtCs_Cds-CsH", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_N-Sp-6R!H=2R!H_1R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Cs u0 {1,S} -5 Cs u0 {2,S} -6 H u0 {2,S} +1 *1 C u0 r1 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,B]} +3 *3 C u1 r1 {4,B} +4 C u0 r1 {3,B} +5 C u0 r1 {1,[S,D,T,B,Q]} +6 C u0 {2,[S,B]} """, kinetics = None, ) entry( index = 548, - label = "Cds-CtCs_Cds-CsCs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_N-Sp-6R!H=2R!H_N-1R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Cs u0 {1,S} -5 Cs u0 {2,S} -6 Cs u0 {2,S} +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,S} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r1 {1,S} +6 C ux {2,S} """, kinetics = None, ) entry( index = 549, - label = "Cds-CtCs_Cds-OsH", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_N-Sp-6R!H=2R!H_N-1R!H-inRing_Ext-2R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Cs u0 {1,S} -5 O2s u0 {2,S} -6 H u0 {2,S} +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r1 {1,S} +6 C ux r0 {2,S} +7 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 550, - label = "Cds-CtCs_Cds-OsCs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Cs u0 {1,S} -5 O2s u0 {2,S} -6 Cs u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 R!H ux r0 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 551, - label = "Cds-CtCs_Cds-OsOs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Cs u0 {1,S} -5 O2s u0 {2,S} -6 O2s u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 R!H ux r0 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 552, - label = "Cds-CtCs_Cds-SsH", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Cs u0 {1,S} -5 S2s u0 {2,S} -6 H u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 R!H ux r0 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 553, - label = "Cds-CtCs_Cds-SsCs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Cs u0 {1,S} -5 S2s u0 {2,S} -6 Cs u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 R!H ux r0 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 C ux {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 554, - label = "Cds-CtCs_Cds-SsOs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Cs u0 {1,S} -5 S2s u0 {2,S} -6 O2s u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 555, - label = "Cds-CtCs_Cds-SsSs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Cs u0 {1,S} -5 S2s u0 {2,S} -6 S2s u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 556, - label = "Cds-CtCs_Cds-OneDe", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Cs u0 {1,S} -5 [H,Cs,O2s,S2s] u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 557, - label = "Cds-CtCs_Cds-OneDeH", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Cs u0 {1,S} -5 H u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 C u0 r0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u1 r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +7 C u0 r1 {2,[S,D,T,B,Q]} {8,B} +8 C ux r1 {7,B} +9 C ux {2,[S,D,T,B,Q]} +10 C u0 r0 {5,[S,D,T,B,Q]} +11 R!H ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 558, - label = "Cds-CtCs_Cds-CtH", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Cs u0 {1,S} -5 H u0 {2,S} -6 Ct u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {10,D} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux r1 {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {5,D} """, kinetics = None, ) entry( index = 559, - label = "Cds-CtCs_Cds-CbH", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Cs u0 {1,S} -5 H u0 {2,S} -6 Cb u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {10,T} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux r1 {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {5,T} """, kinetics = None, ) entry( index = 560, - label = "Cds-CtCs_Cds-COH", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Cs u0 {1,S} -5 H u0 {2,S} -6 CO u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 561, - label = "Cds-CtCs_Cds-CdH", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_Ext-6R!H-R", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 Ct u0 {2,S} -6 Cs u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 r0 {2,D} {5,S} {6,S} +2 *2 C u0 r0 {1,D} {7,S} +3 *3 C u1 r1 {4,B} +4 C u0 r1 {3,B} +5 C u0 r0 {1,S} {9,[S,D,T,B,Q]} +6 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +7 C u0 r1 {2,S} {8,B} +8 C u0 r1 {7,B} +9 C u0 r0 {5,[S,D,T,B,Q]} +10 R!H ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 562, - label = "Cds-CtCs_Cds-C=SH", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_Sp-9R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Cs u0 {1,S} -5 H u0 {2,S} -6 CS u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,D} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux r1 {7,[S,D,T,B,Q]} +9 C ux {5,D} """, kinetics = None, ) entry( index = 563, - label = "Cds-CtCs_Cds-OneDeCs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_N-Sp-9R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Cs u0 {1,S} -5 Cs u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,T} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux r1 {7,[S,D,T,B,Q]} +9 C ux {5,T} """, kinetics = None, ) entry( index = 564, - label = "Cds-CtCs_Cds-CtCs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Cs u0 {1,S} -5 Cs u0 {2,S} -6 Ct u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 R!H ux r0 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 565, - label = "Cds-CtCs_Cds-CbCs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Cs u0 {1,S} -5 Cs u0 {2,S} -6 Cb u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 R!H ux r0 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 566, - label = "Cds-CtCs_Cds-COCs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Cs u0 {1,S} -5 Cs u0 {2,S} -6 CO u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 567, - label = "Cds-CtCs_Cds-CdCs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 Ct u0 {2,S} -6 Cs u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 568, - label = "Cds-CtCs_Cds-C=SCs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R_Ext-6R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Cs u0 {1,S} -5 Cs u0 {2,S} -6 CS u0 {2,S} +1 *1 C u0 {2,D} {5,S} {6,S} +2 *2 C u0 {1,D} {7,S} {9,S} +3 *3 C u[1,2,3,4] r1 {4,B} +4 C u0 r1 {3,B} +5 C u0 r0 {1,S} {11,[S,D,T,B,Q]} +6 C u0 r0 {1,S} {12,[S,D,T,B,Q]} +7 C ux r0 {2,S} {8,[S,D,T,B,Q]} +8 C u0 {7,[S,D,T,B,Q]} +9 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C u0 r0 {5,[S,D,T,B,Q]} +12 R!H ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 569, - label = "Cds-CtCs_Cds-OneDeOs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R_Sp-11R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Cs u0 {1,S} -5 O2s u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {11,D} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {5,D} """, kinetics = None, ) entry( index = 570, - label = "Cds-CtCs_Cds-CtOs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R_N-Sp-11R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Cs u0 {1,S} -5 O2s u0 {2,S} -6 Ct u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {11,T} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {5,T} """, kinetics = None, ) entry( index = 571, - label = "Cds-CtCs_Cds-CbOs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Cs u0 {1,S} -5 O2s u0 {2,S} -6 Cb u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 572, - label = "Cds-CtCs_Cds-COOs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Cs u0 {1,S} -5 O2s u0 {2,S} -6 CO u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {10,D} +6 C ux {1,[S,D,T,B,Q]} {11,D} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {5,D} +11 C u0 {6,D} """, kinetics = None, ) entry( index = 573, - label = "Cds-CtCs_Cds-CdOs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R_Sp-8R!H=7R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Cs u0 {1,S} -5 O2s u0 {2,S} -6 Cd u0 {2,S} {7,D} -7 C u0 {6,D} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {10,D} +6 C ux {1,[S,D,T,B,Q]} {11,D} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {5,D} +11 C u0 r0 {6,D} """, kinetics = None, ) entry( index = 574, - label = "Cds-CtCs_Cds-C=SOs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R_N-Sp-8R!H=7R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Cs u0 {1,S} -5 O2s u0 {2,S} -6 CS u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {10,D} +6 C ux {1,[S,D,T,B,Q]} {11,D} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {5,D} +11 C u0 r0 {6,D} """, kinetics = None, ) entry( index = 575, - label = "Cds-CtCs_Cds-OneDeSs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Cs u0 {1,S} -5 S2s u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 C u0 {2,D} {5,S} {6,S} +2 *2 C u0 {1,D} {7,S} {9,S} +3 *3 C u1 r1 {4,B} +4 C u0 {3,B} +5 C u0 r0 {1,S} {10,D} +6 C u0 {1,S} +7 C u0 r0 {2,S} {8,[S,D,T,B,Q]} +8 C u0 {7,[S,D,T,B,Q]} +9 C u0 {2,S} +10 C u0 {5,D} """, kinetics = None, ) entry( index = 576, - label = "Cds-CtCs_Cds-CtSs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H_Sp-8R!H=7R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Cs u0 {1,S} -5 S2s u0 {2,S} -6 Ct u0 {2,S} +1 *1 C u0 r0 {2,D} {5,S} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r1 {4,B} +4 C u0 r1 {3,B} +5 C u0 r0 {1,S} {10,D} +6 C u0 r0 {1,S} +7 C u0 r0 {2,S} {8,D} +8 C u0 r0 {7,D} +9 C u0 r0 {2,S} +10 C u0 r0 {5,D} """, kinetics = None, ) entry( index = 577, - label = "Cds-CtCs_Cds-CbSs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H_N-Sp-8R!H=7R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Cs u0 {1,S} -5 S2s u0 {2,S} -6 Cb u0 {2,S} +1 *1 C u0 r0 {2,D} {5,S} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r1 {4,B} +4 C u0 r1 {3,B} +5 C u0 r0 {1,S} {10,D} +6 C u0 r0 {1,S} +7 C u0 r0 {2,S} {8,T} +8 C u0 r0 {7,T} +9 C u0 r0 {2,S} +10 C u0 r0 {5,D} """, kinetics = None, ) entry( index = 578, - label = "Cds-CtCs_Cds-COSs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Cs u0 {1,S} -5 S2s u0 {2,S} -6 CO u0 {2,S} +1 *1 C u0 {2,D} {5,S} {6,S} +2 *2 C u0 {1,D} {7,S} {9,S} +3 *3 C u1 r1 {4,B} +4 C u0 {3,B} +5 C u0 r0 {1,S} {10,T} +6 C u0 {1,S} +7 C u0 r0 {2,S} {8,[S,D,T,B,Q]} +8 C u0 {7,[S,D,T,B,Q]} +9 C u0 {2,S} +10 C u0 {5,T} """, kinetics = None, ) entry( index = 579, - label = "Cds-CtCs_Cds-CdSs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_Sp-8R!H=7R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Cs u0 {1,S} -5 S2s u0 {2,S} -6 Cd u0 {2,S} {7,D} -7 C u0 {6,D} +1 *1 C u0 r0 {2,D} {5,S} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r1 {4,B} +4 C u0 r1 {3,B} +5 C u0 r0 {1,S} {10,T} +6 C u0 r0 {1,S} +7 C u0 r0 {2,S} {8,D} +8 C u0 r0 {7,D} +9 C u0 r0 {2,S} +10 C u0 r0 {5,T} """, kinetics = None, ) entry( index = 580, - label = "Cds-CtCs_Cds-C=SSs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_N-Sp-8R!H=7R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Cs u0 {1,S} -5 S2s u0 {2,S} -6 CS u0 {2,S} +1 *1 C u0 r0 {2,D} {5,S} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r1 {4,B} +4 C u0 r1 {3,B} +5 C u0 r0 {1,S} {10,T} +6 C u0 r0 {1,S} +7 C u0 r0 {2,S} {8,T} +8 C u0 r0 {7,T} +9 C u0 r0 {2,S} +10 C u0 r0 {5,T} """, kinetics = None, ) entry( index = 581, - label = "Cds-CtCs_Cds-TwoDe", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-8R!H=7R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Cs u0 {1,S} -5 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 R!H ux r0 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 582, - label = "Cds-CtCs_Cds-CtCt", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-8R!H=7R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Cs u0 {1,S} -5 Ct u0 {2,S} -6 Ct u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 R!H ux r0 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 583, - label = "Cds-CtCs_Cds-CtCb", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Cs u0 {1,S} -5 Ct u0 {2,S} -6 Cb u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} """, kinetics = None, ) entry( index = 584, - label = "Cds-CtCs_Cds-CtCO", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Cs u0 {1,S} -5 Ct u0 {2,S} -6 CO u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 C ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 585, - label = "Cds-CtCs_Cds-CbCb", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Cs u0 {1,S} -5 Cb u0 {2,S} -6 Cb u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 C u0 r0 {5,[S,D,T,B,Q]} +10 R!H ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 586, - label = "Cds-CtCs_Cds-CbCO", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_Sp-9R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Cs u0 {1,S} -5 Cb u0 {2,S} -6 CO u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,D} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 C ux {5,D} """, kinetics = None, ) entry( index = 587, - label = "Cds-CtCs_Cds-COCO", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Cs u0 {1,S} -5 CO u0 {2,S} -6 CO u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,T} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 C ux {5,T} """, kinetics = None, ) entry( index = 588, - label = "Cds-CtCs_Cds-CdCt", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 Ct u0 {2,S} -6 Cs u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} """, kinetics = None, ) entry( index = 589, - label = "Cds-CtCs_Cds-CdCb", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cb u0 {1,S} -5 Ct u0 {2,S} -6 Cs u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 C ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 590, - label = "Cds-CtCs_Cds-CdCO", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 CO u0 {1,S} -5 Ct u0 {2,S} -6 Cs u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 C u0 r0 {5,[S,D,T,B,Q]} +10 R!H ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 591, - label = "Cds-CtCs_Cds-CtC=S", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_Sp-9R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Cs u0 {1,S} -5 Ct u0 {2,S} -6 CS u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,D} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 C ux {5,D} """, kinetics = None, ) entry( index = 592, - label = "Cds-CtCs_Cds-CbC=S", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Cs u0 {1,S} -5 Cb u0 {2,S} -6 CS u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,T} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 C ux {5,T} """, kinetics = None, ) entry( index = 593, - label = "Cds-CtCs_Cds-COC=S", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Cs u0 {1,S} -5 CO u0 {2,S} -6 CS u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 594, - label = "Cds-CtCs_Cds-CdCd", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 Ct u0 {2,S} -6 Cs u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 C ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 595, - label = "Cds-CtCs_Cds-CdC=S", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 CS u0 {1,S} -5 Ct u0 {2,S} -6 Cs u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 C u0 r0 {5,[S,D,T,B,Q]} +10 R!H ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 596, - label = "Cds-CtCs_Cds-C=SC=S", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R_Sp-9R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Cs u0 {1,S} -5 CS u0 {2,S} -6 CS u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,D} +6 C ux {1,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 C ux {5,D} """, kinetics = None, ) entry( index = 597, - label = "Cds-CbCs_Cds", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R_N-Sp-9R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 Cs u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,T} +6 C ux {1,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 C ux {5,T} """, kinetics = None, ) entry( index = 598, - label = "Cds-CbCs_Cds-HH", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 Cs u0 {1,S} -5 H u0 {2,S} -6 H u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,S} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,S} """, kinetics = None, ) entry( index = 599, - label = "Cds-CbCs_Cds-CsH", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 Cs u0 {1,S} -5 Cs u0 {2,S} -6 H u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,S} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,S} +8 C ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 600, - label = "Cds-CbCs_Cds-CsCs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 Cs u0 {1,S} -5 Cs u0 {2,S} -6 Cs u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,S} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +7 C ux r0 {2,S} +8 C u0 r0 {5,[S,D,T,B,Q]} +9 R!H ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 601, - label = "Cds-CbCs_Cds-OsH", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R_Sp-8R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 Cs u0 {1,S} -5 O2s u0 {2,S} -6 H u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,S} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {8,D} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,S} +8 C ux {5,D} """, kinetics = None, ) entry( index = 602, - label = "Cds-CbCs_Cds-OsCs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 Cs u0 {1,S} -5 O2s u0 {2,S} -6 Cs u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,S} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {8,T} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,S} +8 C ux {5,T} """, kinetics = None, ) entry( index = 603, - label = "Cds-CbCs_Cds-OsOs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 Cs u0 {1,S} -5 O2s u0 {2,S} -6 O2s u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,D} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,D} """, kinetics = None, ) entry( index = 604, - label = "Cds-CbCs_Cds-SsH", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 Cs u0 {1,S} -5 S2s u0 {2,S} -6 H u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,D} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,D} +8 C ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 605, - label = "Cds-CbCs_Cds-SsCs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 Cs u0 {1,S} -5 S2s u0 {2,S} -6 Cs u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,D} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +7 C ux r0 {2,D} +8 C u0 r0 {5,[S,D,T,B,Q]} +9 R!H ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 606, - label = "Cds-CbCs_Cds-SsOs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Sp-8R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 Cs u0 {1,S} -5 S2s u0 {2,S} -6 O2s u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,D} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {8,D} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,D} +8 C ux {5,D} """, kinetics = None, ) entry( index = 607, - label = "Cds-CbCs_Cds-SsSs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 Cs u0 {1,S} -5 S2s u0 {2,S} -6 S2s u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,D} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {8,T} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,D} +8 C ux {5,T} """, kinetics = None, ) entry( index = 608, - label = "Cds-CbCs_Cds-OneDe", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 Cs u0 {1,S} -5 [H,Cs,O2s,S2s] u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 609, - label = "Cds-CbCs_Cds-OneDeH", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R_Ext-6R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 Cs u0 {1,S} -5 H u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 C u0 r0 {2,D} {5,S} {6,S} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r1 {4,B} +4 C u0 r1 {3,B} +5 C u0 r0 {1,S} {7,[S,D,T,B,Q]} +6 C u0 r0 {1,S} {8,[S,D,T,B,Q]} +7 C u0 r0 {5,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 610, - label = "Cds-CbCs_Cds-CtH", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R_Sp-7R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 Cs u0 {1,S} -5 H u0 {2,S} -6 Ct u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {7,D} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {5,D} """, kinetics = None, ) entry( index = 611, - label = "Cds-CbCs_Cds-CbH", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R_N-Sp-7R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 Cs u0 {1,S} -5 H u0 {2,S} -6 Cb u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {7,T} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {5,T} """, kinetics = None, ) entry( index = 612, - label = "Cds-CbCs_Cds-COH", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 Cs u0 {1,S} -5 H u0 {2,S} -6 CO u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 613, - label = "Cds-CbCs_Cds-CdH", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 Cb u0 {2,S} -6 Cs u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r0 {1,S} +6 R!H ux r1 {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 614, - label = "Cds-CbCs_Cds-C=SH", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing_Ext-2R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 Cs u0 {1,S} -5 H u0 {2,S} -6 CS u0 {2,S} +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r0 {1,S} +6 R!H ux r1 {2,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 615, - label = "Cds-CbCs_Cds-OneDeCs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-5R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 Cs u0 {1,S} -5 Cs u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r0 {1,S} {8,[S,D,T,B,Q]} +6 R!H ux r1 {2,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 C u0 {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 616, - label = "Cds-CbCs_Cds-CtCs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-8R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 Cs u0 {1,S} -5 Cs u0 {2,S} -6 Ct u0 {2,S} +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,S} {8,D} +6 R!H ux r1 {2,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 C u0 r0 {5,D} """, kinetics = None, ) entry( index = 617, - label = "Cds-CbCs_Cds-CbCs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-8R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 Cs u0 {1,S} -5 Cs u0 {2,S} -6 Cb u0 {2,S} +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,S} {8,[S,T,Q,B]} +6 R!H ux r1 {2,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 C u0 r0 {5,[S,T,Q,B]} """, kinetics = None, ) entry( index = 618, - label = "Cds-CbCs_Cds-COCs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing_Ext-5R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 Cs u0 {1,S} -5 Cs u0 {2,S} -6 CO u0 {2,S} +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,S} +3 *3 C u1 r1 {4,B} +4 C u0 {3,B} +5 C u0 r0 {1,S} {7,[S,D,T,B,Q]} +6 C u0 r1 {2,S} +7 C u0 {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 619, - label = "Cds-CbCs_Cds-CdCs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing_Ext-5R!H-R_Sp-7R!H=5R!H", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 Cb u0 {2,S} -6 Cs u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} +3 *3 C u1 r1 {4,B} +4 C u0 r1 {3,B} +5 C u0 r0 {1,S} {7,D} +6 C u0 r1 {2,S} +7 C u0 r0 {5,D} """, kinetics = None, ) entry( index = 620, - label = "Cds-CbCs_Cds-C=SCs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing_Ext-5R!H-R_N-Sp-7R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 Cs u0 {1,S} -5 Cs u0 {2,S} -6 CS u0 {2,S} +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} +3 *3 C u1 r1 {4,B} +4 C u0 r1 {3,B} +5 C u0 r0 {1,S} {7,[S,T,Q,B]} +6 C u0 r1 {2,S} +7 C u0 r0 {5,[S,T,Q,B]} """, kinetics = None, ) entry( index = 621, - label = "Cds-CbCs_Cds-OneDeOs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 Cs u0 {1,S} -5 O2s u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 R!H ux r0 {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 622, - label = "Cds-CbCs_Cds-CtOs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 Cs u0 {1,S} -5 O2s u0 {2,S} -6 Ct u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 623, - label = "Cds-CbCs_Cds-CbOs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 Cs u0 {1,S} -5 O2s u0 {2,S} -6 Cb u0 {2,S} +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 624, - label = "Cds-CbCs_Cds-COOs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 Cs u0 {1,S} -5 O2s u0 {2,S} -6 CO u0 {2,S} +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 625, - label = "Cds-CbCs_Cds-CdOs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 Cs u0 {1,S} -5 O2s u0 {2,S} -6 Cd u0 {2,S} {7,D} -7 C u0 {6,D} +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,S} {8,S} +3 *3 C u1 r1 {4,B} +4 C u0 {3,B} +5 C u0 r0 {1,S} +6 C u0 r0 {2,S} {7,[S,D,T,B,Q]} +7 C u0 {6,[S,D,T,B,Q]} +8 C u0 {2,S} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 626, - label = "Cds-CbCs_Cds-C=SOs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Ext-5R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 Cs u0 {1,S} -5 O2s u0 {2,S} -6 CS u0 {2,S} +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,S} {8,S} +3 *3 C u1 r1 {4,B} +4 C u0 {3,B} +5 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +6 C u0 r0 {2,S} {7,[S,D,T,B,Q]} +7 C u0 {6,[S,D,T,B,Q]} +8 C u0 {2,S} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C u0 {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 627, - label = "Cds-CbCs_Cds-OneDeSs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 Cs u0 {1,S} -5 S2s u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} {8,S} +3 *3 C u1 r1 {4,B} +4 C u0 r1 {3,B} +5 C u0 r0 {1,S} {10,D} +6 C u0 r0 {2,S} {7,[S,D,T,B,Q]} +7 C u0 r0 {6,[S,D,T,B,Q]} +8 C u0 r0 {2,S} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C u0 r0 {5,D} """, kinetics = None, ) entry( index = 628, - label = "Cds-CbCs_Cds-CtSs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 Cs u0 {1,S} -5 S2s u0 {2,S} -6 Ct u0 {2,S} +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} {8,S} +3 *3 C u1 r1 {4,B} +4 C u0 r1 {3,B} +5 C u0 r0 {1,S} {10,[S,T,Q,B]} +6 C u0 r0 {2,S} {7,[S,D,T,B,Q]} +7 C u0 r0 {6,[S,D,T,B,Q]} +8 C u0 r0 {2,S} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C u0 r0 {5,[S,T,Q,B]} """, kinetics = None, ) entry( index = 629, - label = "Cds-CbCs_Cds-CbSs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 Cs u0 {1,S} -5 S2s u0 {2,S} -6 Cb u0 {2,S} +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} +9 C ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 630, - label = "Cds-CbCs_Cds-COSs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-9R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 Cs u0 {1,S} -5 S2s u0 {2,S} -6 CO u0 {2,S} +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,D} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} +9 C ux {5,D} """, kinetics = None, ) entry( index = 631, - label = "Cds-CbCs_Cds-CdSs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-9R!H=5R!H_Sp-7R!H=6R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 Cs u0 {1,S} -5 S2s u0 {2,S} -6 Cd u0 {2,S} {7,D} -7 C u0 {6,D} +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,D} +6 C ux r0 {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 C ux {2,[S,D,T,B,Q]} +9 C ux {5,D} """, kinetics = None, ) entry( index = 632, - label = "Cds-CbCs_Cds-C=SSs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-9R!H=5R!H_N-Sp-7R!H=6R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 Cs u0 {1,S} -5 S2s u0 {2,S} -6 CS u0 {2,S} +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,D} +6 C ux r0 {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +8 C ux {2,[S,D,T,B,Q]} +9 C ux {5,D} """, kinetics = None, ) entry( index = 633, - label = "Cds-CbCs_Cds-TwoDe", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-9R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 Cs u0 {1,S} -5 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,[S,T,Q,B]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} +9 C ux {5,[S,T,Q,B]} """, kinetics = None, ) entry( index = 634, - label = "Cds-CbCs_Cds-CtCt", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_Sp-7R!H=6R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 Cs u0 {1,S} -5 Ct u0 {2,S} -6 Ct u0 {2,S} +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,[S,T,Q,B]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 C ux {2,[S,D,T,B,Q]} +9 C ux {5,[S,T,Q,B]} """, kinetics = None, ) entry( index = 635, - label = "Cds-CbCs_Cds-CtCb", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_N-Sp-7R!H=6R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 Cs u0 {1,S} -5 Ct u0 {2,S} -6 Cb u0 {2,S} +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,[S,T,Q,B]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +8 C ux {2,[S,D,T,B,Q]} +9 C ux {5,[S,T,Q,B]} """, kinetics = None, ) entry( index = 636, - label = "Cds-CbCs_Cds-CtCO", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-7R!H=6R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 Cs u0 {1,S} -5 Ct u0 {2,S} -6 CO u0 {2,S} +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 637, - label = "Cds-CbCs_Cds-CbCb", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-7R!H=6R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 Cs u0 {1,S} -5 Cb u0 {2,S} -6 Cb u0 {2,S} +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +8 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 638, - label = "Cds-CbCs_Cds-CbCO", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-5R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 Cs u0 {1,S} -5 Cb u0 {2,S} -6 CO u0 {2,S} +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 639, - label = "Cds-CbCs_Cds-COCO", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-5R!H-R_Sp-8R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 Cs u0 {1,S} -5 CO u0 {2,S} -6 CO u0 {2,S} +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {8,D} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {5,D} """, kinetics = None, ) entry( index = 640, - label = "Cds-CbCs_Cds-CdCt", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-5R!H-R_Sp-8R!H=5R!H_Sp-7R!H=6R!H", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 Cb u0 {2,S} -6 Cs u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {8,D} +6 C ux r0 {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 C ux {5,D} """, kinetics = None, ) entry( index = 641, - label = "Cds-CbCs_Cds-CdCb", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-5R!H-R_Sp-8R!H=5R!H_N-Sp-7R!H=6R!H", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cb u0 {1,S} -5 Cb u0 {2,S} -6 Cs u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {8,D} +6 C ux r0 {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +8 C ux {5,D} """, kinetics = None, ) entry( index = 642, - label = "Cds-CbCs_Cds-CdCO", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 CO u0 {1,S} -5 Cb u0 {2,S} -6 Cs u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {8,[S,T,Q,B]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {5,[S,T,Q,B]} """, kinetics = None, ) entry( index = 643, - label = "Cds-CbCs_Cds-CtC=S", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_Sp-7R!H=6R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 Cs u0 {1,S} -5 Ct u0 {2,S} -6 CS u0 {2,S} +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {8,[S,T,Q,B]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 C ux {5,[S,T,Q,B]} """, kinetics = None, ) entry( index = 644, - label = "Cds-CbCs_Cds-CbC=S", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_N-Sp-7R!H=6R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 Cs u0 {1,S} -5 Cb u0 {2,S} -6 CS u0 {2,S} +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {8,[S,T,Q,B]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +8 C ux {5,[S,T,Q,B]} """, kinetics = None, ) entry( index = 645, - label = "Cds-CbCs_Cds-COC=S", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Sp-7R!H=6R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 Cs u0 {1,S} -5 CO u0 {2,S} -6 CS u0 {2,S} +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} """, kinetics = None, ) entry( index = 646, - label = "Cds-CbCs_Cds-CdCd", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_N-Sp-7R!H=6R!H", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 Cb u0 {2,S} -6 Cs u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} """, kinetics = None, ) entry( index = 647, - label = "Cds-CbCs_Cds-CdC=S", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 CS u0 {1,S} -5 Cb u0 {2,S} -6 Cs u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,T} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 648, - label = "Cds-CbCs_Cds-C=SC=S", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_Sp-7R!H=6R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 Cs u0 {1,S} -5 CS u0 {2,S} -6 CS u0 {2,S} +1 *1 C u0 {2,T} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} """, kinetics = None, ) entry( index = 649, - label = "Cds-COCs_Cds", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_Sp-7R!H=6R!H_Ext-5R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 CO u0 {1,S} -4 Cs u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} +1 *1 C u0 {2,T} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 C u0 {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 650, - label = "Cds-CdCs_Cds", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,T} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {8,D} +6 C ux r0 {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 C u0 r0 {5,D} """, kinetics = None, ) entry( index = 651, - label = "Cds-CdCs_Cds-HH", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 H u0 {2,S} -6 H u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,T} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {8,[S,T,Q,B]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 C u0 r0 {5,[S,T,Q,B]} """, kinetics = None, ) entry( index = 652, - label = "Cds-CdCs_Cds-CsH", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_N-Sp-7R!H=6R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 Cs u0 {2,S} -6 H u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,T} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} """, kinetics = None, ) entry( index = 653, - label = "Cds-CdCs_Cds-CsCs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_N-Sp-7R!H=6R!H_Ext-5R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 Cs u0 {2,S} -6 Cs u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,T} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +8 C u0 {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 654, - label = "Cds-CdCs_Cds-OsH", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_N-Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 O2s u0 {2,S} -6 H u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,T} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {8,D} +6 C ux r0 {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +8 C u0 r0 {5,D} """, kinetics = None, ) entry( index = 655, - label = "Cds-CdCs_Cds-OsCs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_N-Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 O2s u0 {2,S} -6 Cs u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,T} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {8,[S,T,Q,B]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +8 C u0 r0 {5,[S,T,Q,B]} """, kinetics = None, ) entry( index = 656, - label = "Cds-CdCs_Cds-OsOs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 O2s u0 {2,S} -6 O2s u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 R!H ux r0 {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 657, - label = "Cds-CdCs_Cds-SsH", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 S2s u0 {2,S} -6 H u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r0 {1,S} +6 R!H ux r0 {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 658, - label = "Cds-CdCs_Cds-SsCs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-2R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 S2s u0 {2,S} -6 Cs u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r0 {1,S} +6 R!H ux r0 {2,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 659, - label = "Cds-CdCs_Cds-SsOs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-2R!H-R_Ext-5R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 S2s u0 {2,S} -6 O2s u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r0 {1,S} {8,[S,D,T,B,Q]} +6 R!H ux r0 {2,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 C u0 {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 660, - label = "Cds-CdCs_Cds-SsSs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-8R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 S2s u0 {2,S} -6 S2s u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,S} {8,D} +6 R!H ux r0 {2,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 C u0 r0 {5,D} """, kinetics = None, ) entry( index = 661, - label = "Cds-CdCs_Cds-OneDe", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-8R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 R u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,S} {8,[S,T,Q,B]} +6 R!H ux r0 {2,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 C u0 r0 {5,[S,T,Q,B]} """, kinetics = None, ) entry( index = 662, - label = "Cds-CdCs_Cds-OneDeH", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-5R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 H u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r0 {1,S} {7,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} +7 C ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 663, - label = "Cds-CdCs_Cds-CtH", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 H u0 {2,S} -6 Ct u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r0 {1,S} {7,D} +6 C ux r0 {2,[S,D,T,B,Q]} +7 C ux {5,D} """, kinetics = None, ) entry( index = 664, - label = "Cds-CdCs_Cds-CbH", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H_Sp-6R!H-2R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 H u0 {2,S} -6 Cb u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,S} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,S} {7,D} +6 C ux r0 {2,S} +7 C ux {5,D} """, kinetics = None, ) entry( index = 665, - label = "Cds-CdCs_Cds-COH", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H_N-Sp-6R!H-2R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 H u0 {2,S} -6 CO u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,D} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,S} {7,D} +6 C ux r0 {2,D} +7 C ux {5,D} """, kinetics = None, ) entry( index = 666, - label = "Cds-CdCs_Cds-(Cd-Cd-Cd)H", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H", group = """ -1 *2 Cd u0 {2,D} {3,S} {7,S} -2 *1 Cd u0 {1,D} {4,S} {6,S} -3 Cd u0 {1,S} {5,D} -4 Cd u0 {2,S} {8,D} -5 Cd u0 {3,D} {9,S} -6 Cs u0 {2,S} -7 H u0 {1,S} -8 C u0 {4,D} -9 Cd u0 {5,S} +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r0 {1,S} {7,[S,T,Q,B]} +6 C ux r0 {2,[S,D,T,B,Q]} +7 C ux {5,[S,T,Q,B]} """, kinetics = None, ) entry( index = 667, - label = "Cds-CdCs_Cds-CdH", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H_Sp-6R!H-2R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {5,S} -2 *2 Cd u0 {1,D} {4,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {2,S} {8,D} -5 Cs u0 {1,S} -6 H u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,S} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,S} {7,[S,T,Q,B]} +6 C ux r0 {2,S} +7 C ux {5,[S,T,Q,B]} """, kinetics = None, ) entry( index = 668, - label = "Cds-CdCs_Cds-C=SH", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H_N-Sp-6R!H-2R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 H u0 {2,S} -6 CS u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,D} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,S} {7,[S,T,Q,B]} +6 C ux r0 {2,D} +7 C ux {5,[S,T,Q,B]} """, kinetics = None, ) entry( index = 669, - label = "Cds-CdCs_Cds-OneDeCs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Sp-6R!H-2R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 Cs u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,S} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,S} +6 C ux r0 {2,S} """, kinetics = None, ) entry( index = 670, - label = "Cds-CdCs_Cds-CtCs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_N-Sp-6R!H-2R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 Cs u0 {2,S} -6 Ct u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,D} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,S} +6 C ux r0 {2,D} """, kinetics = None, ) entry( index = 671, - label = "Cds-CdCs_Cds-CbCs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H-1R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 Cs u0 {2,S} -6 Cb u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,D} {5,D} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r0 {1,D} +6 R!H ux r0 {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 672, - label = "Cds-CdCs_Cds-COCs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H-1R!H_Ext-2R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 Cs u0 {2,S} -6 CO u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,D} {5,D} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,D} +6 R!H ux r0 {2,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 673, - label = "Cds-CdCs_Cds-CdCs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_N-Sp-2R!H=1R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {5,S} -2 *2 Cd u0 {1,D} {4,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {2,S} {8,D} -5 Cs u0 {1,S} -6 Cs u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,T} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 674, - label = "Cds-CdCs_Cds-C=SCs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_N-Sp-2R!H=1R!H_Ext-5R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 Cs u0 {2,S} -6 CS u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,T} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} +7 C u0 {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 675, - label = "Cds-CdCs_Cds-OneDeOs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_N-Sp-2R!H=1R!H_Ext-5R!H-R_Sp-7R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 O2s u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,T} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {7,D} +6 C ux r0 {2,[S,D,T,B,Q]} +7 C u0 r0 {5,D} """, kinetics = None, ) entry( index = 676, - label = "Cds-CdCs_Cds-CtOs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_N-Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 O2s u0 {2,S} -6 Ct u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,T} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {7,[S,T,Q,B]} +6 C ux r0 {2,[S,D,T,B,Q]} +7 C u0 r0 {5,[S,T,Q,B]} """, kinetics = None, ) entry( index = 677, - label = "Cds-CdCs_Cds-CbOs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 O2s u0 {2,S} -6 Cb u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {5,S} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u1 r1 {4,B} +4 C u0 {3,B} +5 C u0 r0 {1,S} """, kinetics = None, ) entry( index = 678, - label = "Cds-CdCs_Cds-COOs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Sp-2R!H=1R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 O2s u0 {2,S} -6 CO u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} +3 *3 C u1 r1 {4,B} +4 C u0 {3,B} +5 C u0 r0 {1,S} """, kinetics = None, ) entry( index = 679, - label = "Cds-CdCs_Cds-CdOs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Sp-2R!H=1R!H_Ext-5R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 O2s u0 {2,S} -6 Cd u0 {2,S} {8,D} -7 C u0 {3,D} -8 C u0 {6,D} +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} +3 *3 C u1 r1 {4,B} +4 C u0 {3,B} +5 C u0 r0 {1,S} {6,[S,D,T,B,Q]} +6 C u0 {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 680, - label = "Cds-CdCs_Cds-C=SOs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Sp-2R!H=1R!H_Ext-5R!H-R_Sp-6R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 O2s u0 {2,S} -6 CS u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r1 {4,B} +4 C u0 r1 {3,B} +5 C u0 r0 {1,S} {6,D} +6 C u0 r0 {5,D} """, kinetics = None, ) entry( index = 681, - label = "Cds-CdCs_Cds-OneDeSs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 S2s u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r1 {4,B} +4 C u0 r1 {3,B} +5 C u0 r0 {1,S} {6,[S,T,Q,B]} +6 C u0 r0 {5,[S,T,Q,B]} """, kinetics = None, ) entry( index = 682, - label = "Cds-CdCs_Cds-CtSs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_N-Sp-2R!H=1R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 S2s u0 {2,S} -6 Ct u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,T} {5,S} +2 *2 C u0 {1,T} +3 *3 C u1 r1 {4,B} +4 C u0 {3,B} +5 C u0 r0 {1,S} """, kinetics = None, ) entry( index = 683, - label = "Cds-CdCs_Cds-CbSs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_N-Sp-2R!H=1R!H_Ext-5R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 S2s u0 {2,S} -6 Cb u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,T} {5,S} +2 *2 C u0 {1,T} +3 *3 C u1 r1 {4,B} +4 C u0 {3,B} +5 C u0 r0 {1,S} {6,[S,D,T,B,Q]} +6 C u0 {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 684, - label = "Cds-CdCs_Cds-COSs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_N-Sp-2R!H=1R!H_Ext-5R!H-R_Sp-6R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 S2s u0 {2,S} -6 CO u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 r0 {2,T} {5,S} +2 *2 C u0 r0 {1,T} +3 *3 C u1 r1 {4,B} +4 C u0 r1 {3,B} +5 C u0 r0 {1,S} {6,D} +6 C u0 r0 {5,D} """, kinetics = None, ) entry( index = 685, - label = "Cds-CdCs_Cds-CdSs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_N-Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 S2s u0 {2,S} -6 Cd u0 {2,S} {8,D} -7 C u0 {3,D} -8 C u0 {6,D} +1 *1 C u0 r0 {2,T} {5,S} +2 *2 C u0 r0 {1,T} +3 *3 C u1 r1 {4,B} +4 C u0 r1 {3,B} +5 C u0 r0 {1,S} {6,[S,T,Q,B]} +6 C u0 r0 {5,[S,T,Q,B]} """, kinetics = None, ) entry( index = 686, - label = "Cds-CdCs_Cds-C=SSs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_N-Sp-5R!H-1R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 S2s u0 {2,S} -6 CS u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 r0 {2,D} {5,D} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r1 {4,B} +4 C u0 r1 {3,B} +5 C u0 r0 {1,D} """, kinetics = None, ) entry( index = 687, - label = "Cds-CdCs_Cds-TwoDe", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 688, - label = "Cds-CdCs_Cds-CtCt", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 Ct u0 {2,S} -6 Ct u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux {2,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 C ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 689, - label = "Cds-CdCs_Cds-CtCb", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_5R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 Ct u0 {2,S} -6 Cb u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {5,[S,D,T,B,Q]} +3 *3 C u1 r1 {4,B} +4 C u0 {3,B} +5 C u0 r1 {2,[S,D,T,B,Q]} {6,B} +6 C ux {5,B} """, kinetics = None, ) entry( index = 690, - label = "Cds-CdCs_Cds-CtCO", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_5R!H-inRing_Ext-2R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 Ct u0 {2,S} -6 CO u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u1 r1 {4,B} +4 C u0 r1 {3,B} +5 C u0 r1 {2,[S,D,T,B,Q]} {6,B} +6 C ux r1 {5,B} +7 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 691, - label = "Cds-CdCs_Cds-CbCb", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 Cb u0 {2,S} -6 Cb u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r0 {2,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 C ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 692, - label = "Cds-CdCs_Cds-CbCO", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 Cb u0 {2,S} -6 CO u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r0 {2,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 C ux {5,[S,D,T,B,Q]} +7 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 693, - label = "Cds-CdCs_Cds-COCO", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2R!H-R_Ext-7R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 CO u0 {2,S} -6 CO u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {5,S} {7,S} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {2,S} {6,[S,D,T,B,Q]} +6 C u0 {5,[S,D,T,B,Q]} +7 C u0 r0 {2,S} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 694, - label = "Cds-CdCs_Cds-CdCt", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2R!H-R_Sp-6R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {5,S} -2 *2 Cd u0 {1,D} {4,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {2,S} {8,D} -5 Cs u0 {1,S} -6 Ct u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {2,[S,D,T,B,Q]} {6,D} +6 C ux {5,D} +7 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 695, - label = "Cds-CdCs_Cds-CdCb", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-Sp-6R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {5,S} -2 *2 Cd u0 {1,D} {4,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {2,S} {8,D} -5 Cs u0 {1,S} -6 Cb u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {2,[S,D,T,B,Q]} {6,T} +6 C ux {5,T} +7 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 696, - label = "Cds-CdCs_Cds-CdCO", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {5,S} -2 *2 Cd u0 {1,D} {4,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {2,S} {8,D} -5 Cs u0 {1,S} -6 CO u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {5,S} +3 *3 C u1 r1 {4,B} +4 C u0 {3,B} +5 C u0 r0 {2,S} {6,[S,D,T,B,Q]} +6 C u0 {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 697, - label = "Cds-CdCs_Cds-CtC=S", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_Sp-6R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 Ct u0 {2,S} -6 CS u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {5,S} +3 *3 C u1 r1 {4,B} +4 C u0 r1 {3,B} +5 C u0 r0 {2,S} {6,D} +6 C u0 r0 {5,D} """, kinetics = None, ) entry( index = 698, - label = "Cds-CdCs_Cds-CbC=S", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_N-Sp-6R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 Cb u0 {2,S} -6 CS u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {5,S} +3 *3 C u1 r1 {4,B} +4 C u0 r1 {3,B} +5 C u0 r0 {2,S} {6,T} +6 C u0 r0 {5,T} """, kinetics = None, ) entry( index = 699, - label = "Cds-CdCs_Cds-COC=S", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 CO u0 {2,S} -6 CS u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} {5,S} +3 *3 C u1 r1 {4,B} +4 C u0 {3,B} +5 C u0 r0 {2,S} {6,[S,D,T,B,Q]} +6 C u0 {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 700, - label = "Cds-CdCs_Cds-CdCd", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Sp-6R!H=5R!H", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {8,D} -4 Cd u0 {1,S} {9,D} -5 Cd u0 {2,S} {7,D} -6 Cs u0 {2,S} -7 C u0 {5,D} -8 C u0 {3,D} -9 C u0 {4,D} +1 *1 C u0 r0 {2,T} +2 *2 C u0 r0 {1,T} {5,S} +3 *3 C u1 r1 {4,B} +4 C u0 r1 {3,B} +5 C u0 r0 {2,S} {6,D} +6 C u0 r0 {5,D} """, kinetics = None, ) entry( index = 701, - label = "Cds-CdCs_Cds-CdC=S", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-6R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {5,S} -2 *2 Cd u0 {1,D} {4,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {2,S} {8,D} -5 Cs u0 {1,S} -6 CS u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 r0 {2,T} +2 *2 C u0 r0 {1,T} {5,S} +3 *3 C u1 r1 {4,B} +4 C u0 r1 {3,B} +5 C u0 r0 {2,S} {6,T} +6 C u0 r0 {5,T} """, kinetics = None, ) entry( index = 702, - label = "Cds-CdCs_Cds-C=SC=S", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Sp-5R!H-2R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 CS u0 {2,S} -6 CS u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {5,S} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux {2,S} """, kinetics = None, ) entry( index = 703, - label = "Cds-C=SCs_Cds", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Sp-5R!H-2R!H_Sp-2R!H=1R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 CS u0 {1,S} -4 Cs u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {5,S} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux {2,S} """, kinetics = None, ) entry( index = 704, - label = "Cds-OneDeSs_Cds", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Sp-5R!H-2R!H_Sp-2R!H=1R!H_Ext-2R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -4 S2s u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {2,S} +6 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 705, - label = "Cds-CtSs_Cds", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Sp-5R!H-2R!H_N-Sp-2R!H=1R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 S2s u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} +1 *1 C u0 r0 {2,T} +2 *2 C u0 r0 {1,T} {5,S} +3 *3 C u1 r1 {4,B} +4 C u0 r1 {3,B} +5 C u0 r0 {2,S} """, kinetics = None, ) entry( index = 706, - label = "Cds-CbSs_Cds", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-2R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 S2s u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {5,D} +3 *3 C u1 r1 {4,B} +4 C u0 r1 {3,B} +5 C u0 r0 {2,D} """, kinetics = None, ) entry( index = 707, - label = "Cds-COSs_Cds", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_Sp-5R!H-4R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 CO u0 {1,S} -4 S2s u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u1 r1 {4,B} +4 C u0 {3,B} {5,S} +5 C u0 {4,S} """, kinetics = None, ) entry( index = 708, - label = "Cds-CdSs_Cds", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_Sp-6R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 S2s u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u1 r1 {4,B} +4 C u0 r1 {3,B} {5,S} +5 C u0 {4,S} {6,D} +6 C u0 r0 {5,D} """, kinetics = None, ) entry( index = 709, - label = "Cds-C=SSs_Cds", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 CS u0 {1,S} -4 S2s u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u1 r1 {4,B} +4 C u0 r1 {3,B} {5,S} +5 C u0 {4,S} {6,[S,T,Q,B]} +6 C u0 r0 {5,[S,T,Q,B]} """, kinetics = None, ) entry( index = 710, - label = "Cds-OneDeOs_Cds", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_N-Sp-5R!H-4R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -4 O2s u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} {5,[B,D,T,Q]} +5 C ux {4,[B,D,T,Q]} """, kinetics = None, ) entry( index = 711, - label = "Cds-CtOs_Cds", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-4R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 O2s u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} +3 *3 C u1 r1 {4,B} +4 C u0 {3,B} {5,B} {6,B} +5 C u0 {4,B} +6 C u0 {4,B} """, kinetics = None, ) entry( index = 712, - label = "Cds-CbOs_Cds", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 O2s u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} +3 *3 C u1 r1 {4,B} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,B} {5,B} {6,B} +5 C u0 r1 {4,B} +6 C u0 r1 {4,B} +7 C ux r1 {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +9 R!H ux {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 713, - label = "Cds-COOs_Cds", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-2R!H=1R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 CO u0 {1,S} -4 O2s u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} {5,[B,D,T,Q]} +5 C ux r1 {4,[B,D,T,Q]} """, kinetics = None, ) entry( index = 714, - label = "Cds-CdOs_Cds", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-Sp-2R!H=1R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 O2s u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 r0 {2,T} +2 *2 C u0 r0 {1,T} +3 *3 C u1 r1 {4,B} +4 C u0 r1 {3,B} {5,B} +5 C u0 r1 {4,B} """, kinetics = None, ) entry( index = 715, - label = "Cds-C=SOs_Cds", + label = "Root_N-3R-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 CS u0 {1,S} -4 O2s u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} +1 *1 R!H u0 {2,[D,T,B]} +2 *2 R!H u0 {1,[D,T,B]} +3 *3 R u[1,2,3,4] r0 """, kinetics = None, ) entry( index = 716, - label = "Cds-TwoDe_Cds", + label = "Root_N-3R-inRing_Ext-3R-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -4 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} +1 *1 R!H u0 {2,[D,T,B]} +2 *2 R!H u0 {1,[D,T,B]} +3 *3 R u[1,2,3,4] r0 {4,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 717, - label = "Cds-CtCt_Cds", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Ct u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} +1 *1 R!H u0 {2,[D,T,B]} +2 *2 R!H u0 {1,[D,T,B]} +3 *3 R u[1,2,3,4] r0 {4,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 718, - label = "Cds-CtCt_Cds-HH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Ct u0 {1,S} -5 H u0 {2,S} -6 H u0 {2,S} +1 *1 R!H u0 {2,[D,T,B]} +2 *2 R!H u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 719, - label = "Cds-CtCt_Cds-CsH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Ct u0 {1,S} -5 Cs u0 {2,S} -6 H u0 {2,S} +1 *1 R!H u0 {2,[D,T,B]} +2 *2 R!H u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 720, - label = "Cds-CtCt_Cds-CsCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Ct u0 {1,S} -5 Cs u0 {2,S} -6 Cs u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 R!H u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 721, - label = "Cds-CtCt_Cds-OsH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Ct u0 {1,S} -5 O2s u0 {2,S} -6 H u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 722, - label = "Cds-CtCt_Cds-OsCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Ct u0 {1,S} -5 O2s u0 {2,S} -6 Cs u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 723, - label = "Cds-CtCt_Cds-OsOs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Ct u0 {1,S} -5 O2s u0 {2,S} -6 O2s u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 724, - label = "Cds-CtCt_Cds-SsH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Ct u0 {1,S} -5 S2s u0 {2,S} -6 H u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 C ux {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 725, - label = "Cds-CtCt_Cds-SsCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Ct u0 {1,S} -5 S2s u0 {2,S} -6 Cs u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 C ux r1 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 726, - label = "Cds-CtCt_Cds-SsOs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Ct u0 {1,S} -5 S2s u0 {2,S} -6 O2s u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,S} {12,S} +3 *3 C u1 r0 {4,S} {6,S} {9,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C u0 {3,S} {7,D} +7 C ux {6,D} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C u0 {3,S} +10 C ux r1 {2,S} {11,[S,D,T,B,Q]} +11 C u0 {10,[S,D,T,B,Q]} +12 C u0 {2,S} """, kinetics = None, ) entry( index = 727, - label = "Cds-CtCt_Cds-SsSs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-1R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Ct u0 {1,S} -5 S2s u0 {2,S} -6 S2s u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,S} {12,S} +3 *3 C u1 r0 {4,S} {6,S} {9,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C u0 r0 {3,S} {7,D} +7 C ux {6,D} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C u0 r0 {3,S} +10 C ux r1 {2,S} {11,[S,D,T,B,Q]} +11 C u0 r1 {10,[S,D,T,B,Q]} +12 C u0 r0 {2,S} +13 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 728, - label = "Cds-CtCt_Cds-OneDe", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-1R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Ct u0 {1,S} -5 [H,Cs,O2s,S2s] u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 C ux r1 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux r1 {10,[S,D,T,B,Q]} +12 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 729, - label = "Cds-CtCt_Cds-OneDeH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Ct u0 {1,S} -5 H u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 730, - label = "Cds-CtCt_Cds-CtH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Ct u0 {1,S} -5 H u0 {2,S} -6 Ct u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 731, - label = "Cds-CtCt_Cds-CbH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Ct u0 {1,S} -5 H u0 {2,S} -6 Cb u0 {2,S} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C u0 {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C u0 {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C u0 {6,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 C u0 r0 {2,[S,D,T,B,Q]} {11,D} +11 C ux {10,D} +12 C ux {2,[S,D,T,B,Q]} {13,D} +13 C u0 {12,D} """, kinetics = None, ) entry( index = 732, - label = "Cds-CtCt_Cds-COH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-1R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Ct u0 {1,S} -5 H u0 {2,S} -6 CO u0 {2,S} +1 *1 C u0 r0 {2,D} {8,[S,D,T,B,Q]} {14,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C u0 r0 {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C u0 r0 {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C u0 r0 {6,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 C u0 r0 {2,[S,D,T,B,Q]} {11,D} +11 C ux r0 {10,D} +12 C ux {2,[S,D,T,B,Q]} {13,D} +13 C u0 r0 {12,D} +14 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 733, - label = "Cds-CtCt_Cds-CdH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-1R!H-R", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 Ct u0 {2,S} -6 Ct u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {10,S} {12,S} +3 *3 C u1 r0 {4,S} {6,S} {9,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 {3,S} {7,D} +7 C u0 {6,D} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C u0 {3,S} +10 C u0 r0 {2,S} {11,[S,D,T,B,Q]} +11 C u0 {10,[S,D,T,B,Q]} +12 C u0 {2,S} +13 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 734, - label = "Cds-CtCt_Cds-C=SH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-11R!H=10R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Ct u0 {1,S} -5 H u0 {2,S} -6 CS u0 {2,S} +1 *1 C u0 r0 {2,D} {8,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {10,S} {12,S} +3 *3 C u1 r0 {4,S} {6,S} {9,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} {7,D} +7 C u0 r0 {6,D} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C u0 r0 {3,S} +10 C u0 r0 {2,S} {11,D} +11 C u0 r0 {10,D} +12 C u0 r0 {2,S} +13 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 735, - label = "Cds-CtCt_Cds-OneDeCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-11R!H=10R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Ct u0 {1,S} -5 Cs u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 C u0 r0 {2,D} {8,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {10,S} {12,S} +3 *3 C u1 r0 {4,S} {6,S} {9,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} {7,D} +7 C u0 r0 {6,D} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C u0 r0 {3,S} +10 C u0 r0 {2,S} {11,T} +11 C u0 r0 {10,T} +12 C u0 r0 {2,S} +13 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 736, - label = "Cds-CtCt_Cds-CtCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Sp-11R!H=10R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Ct u0 {1,S} -5 Cs u0 {2,S} -6 Ct u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r1 {1,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,D} +11 C ux {10,D} +12 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 737, - label = "Cds-CtCt_Cds-CbCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-Sp-11R!H=10R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Ct u0 {1,S} -5 Cs u0 {2,S} -6 Cb u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r1 {1,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,T} +11 C ux {10,T} +12 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 738, - label = "Cds-CtCt_Cds-COCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-1R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Ct u0 {1,S} -5 Cs u0 {2,S} -6 CO u0 {2,S} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {10,S} +3 *3 C u1 r0 {4,S} {6,S} {9,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 {3,S} {7,D} +7 C u0 {6,D} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C u0 {3,S} +10 C u0 r0 {2,S} {11,[S,D,T,B,Q]} +11 C u0 {10,[S,D,T,B,Q]} +12 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 739, - label = "Cds-CtCt_Cds-CdCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-1R!H-R_Sp-11R!H=10R!H", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 Ct u0 {2,S} -6 Ct u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 r0 {2,D} {8,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {10,S} +3 *3 C u1 r0 {4,S} {6,S} {9,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} {7,D} +7 C u0 r0 {6,D} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C u0 r0 {3,S} +10 C u0 r0 {2,S} {11,D} +11 C u0 r0 {10,D} +12 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 740, - label = "Cds-CtCt_Cds-C=SCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-1R!H-R_N-Sp-11R!H=10R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Ct u0 {1,S} -5 Cs u0 {2,S} -6 CS u0 {2,S} +1 *1 C u0 r0 {2,D} {8,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {10,S} +3 *3 C u1 r0 {4,S} {6,S} {9,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} {7,D} +7 C u0 r0 {6,D} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C u0 r0 {3,S} +10 C u0 r0 {2,S} {11,T} +11 C u0 r0 {10,T} +12 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 741, - label = "Cds-CtCt_Cds-OneDeOs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Ct u0 {1,S} -5 O2s u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r1 {1,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,D} +11 C ux {10,D} """, kinetics = None, ) entry( index = 742, - label = "Cds-CtCt_Cds-CtOs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Ct u0 {1,S} -5 O2s u0 {2,S} -6 Ct u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r1 {1,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,T} +11 C ux {10,T} """, kinetics = None, ) entry( index = 743, - label = "Cds-CtCt_Cds-CbOs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-1R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Ct u0 {1,S} -5 O2s u0 {2,S} -6 Cb u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 744, - label = "Cds-CtCt_Cds-COOs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Ct u0 {1,S} -5 O2s u0 {2,S} -6 CO u0 {2,S} +1 *1 C u0 r0 {2,D} {8,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} {9,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} {7,D} +7 C u0 r0 {6,D} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C u0 r0 {3,S} +10 R!H ux {2,[S,D,T,B,Q]} +11 R!H ux {1,[S,D,T,B,Q]} +12 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 745, - label = "Cds-CtCt_Cds-CdOs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-1R!H-R_Sp-10R!H-2R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Ct u0 {1,S} -5 O2s u0 {2,S} -6 Cd u0 {2,S} {7,D} -7 C u0 {6,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 C ux {2,S} +11 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 746, - label = "Cds-CtCt_Cds-C=SOs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-1R!H-R_N-Sp-10R!H-2R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Ct u0 {1,S} -5 O2s u0 {2,S} -6 CS u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 C ux {2,D} +11 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 747, - label = "Cds-CtCt_Cds-OneDeSs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-2R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Ct u0 {1,S} -5 S2s u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r1 {1,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 748, - label = "Cds-CtCt_Cds-CtSs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Sp-10R!H-2R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Ct u0 {1,S} -5 S2s u0 {2,S} -6 Ct u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r1 {1,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 C ux r0 {2,S} """, kinetics = None, ) entry( index = 749, - label = "Cds-CtCt_Cds-CbSs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-Sp-10R!H-2R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Ct u0 {1,S} -5 S2s u0 {2,S} -6 Cb u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r1 {1,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 C ux r0 {2,D} """, kinetics = None, ) entry( index = 750, - label = "Cds-CtCt_Cds-COSs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-1R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Ct u0 {1,S} -5 S2s u0 {2,S} -6 CO u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 751, - label = "Cds-CtCt_Cds-CdSs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Ct u0 {1,S} -5 S2s u0 {2,S} -6 Cd u0 {2,S} {7,D} -7 C u0 {6,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 752, - label = "Cds-CtCt_Cds-C=SSs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Ct u0 {1,S} -5 S2s u0 {2,S} -6 CS u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 753, - label = "Cds-CtCt_Cds-TwoDe", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Ct u0 {1,S} -5 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux r1 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 754, - label = "Cds-CtCt_Cds-CtCt", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Ct u0 {1,S} -5 Ct u0 {2,S} -6 Ct u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,S} {11,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux r1 {2,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +11 C u0 {2,S} """, kinetics = None, ) entry( index = 755, - label = "Cds-CtCt_Cds-CtCb", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Ct u0 {1,S} -5 Ct u0 {2,S} -6 Cb u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,S} {11,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux r1 {2,S} {10,[S,D,T,B,Q]} +10 C u0 r1 {9,[S,D,T,B,Q]} +11 C u0 r0 {2,S} +12 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 756, - label = "Cds-CtCt_Cds-CtCO", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-1R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Ct u0 {1,S} -5 Ct u0 {2,S} -6 CO u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux r1 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux r1 {9,[S,D,T,B,Q]} +11 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 757, - label = "Cds-CtCt_Cds-CbCb", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Ct u0 {1,S} -5 Cb u0 {2,S} -6 Cb u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 758, - label = "Cds-CtCt_Cds-CbCO", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Ct u0 {1,S} -5 Cb u0 {2,S} -6 CO u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 759, - label = "Cds-CtCt_Cds-COCO", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Ct u0 {1,S} -5 CO u0 {2,S} -6 CO u0 {2,S} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 {3,S} {7,D} +7 C u0 {6,D} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C u0 r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +11 C ux {2,[S,D,T,B,Q]} {12,D} +12 C u0 {11,D} """, kinetics = None, ) entry( index = 760, - label = "Cds-CtCt_Cds-CdCt", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 Ct u0 {2,S} -6 Ct u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 r0 {2,D} {8,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} {7,D} +7 C u0 r0 {6,D} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C u0 r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux r0 {9,D} +11 C ux {2,[S,D,T,B,Q]} {12,D} +12 C u0 r0 {11,D} +13 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 761, - label = "Cds-CtCt_Cds-CdCb", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cb u0 {1,S} -5 Ct u0 {2,S} -6 Ct u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 {3,S} {7,D} +7 C u0 {6,D} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +11 C u0 {2,S} +12 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 762, - label = "Cds-CtCt_Cds-CdCO", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-10R!H=9R!H", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 CO u0 {1,S} -5 Ct u0 {2,S} -6 Ct u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 r0 {2,D} {8,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} {7,D} +7 C u0 r0 {6,D} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C u0 r0 {2,S} {10,D} +10 C u0 r0 {9,D} +11 C u0 r0 {2,S} +12 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 763, - label = "Cds-CtCt_Cds-CtC=S", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-10R!H=9R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Ct u0 {1,S} -5 Ct u0 {2,S} -6 CS u0 {2,S} +1 *1 C u0 r0 {2,D} {8,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} {7,D} +7 C u0 r0 {6,D} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C u0 r0 {2,S} {10,T} +10 C u0 r0 {9,T} +11 C u0 r0 {2,S} +12 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 764, - label = "Cds-CtCt_Cds-CbC=S", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Sp-10R!H=9R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Ct u0 {1,S} -5 Cb u0 {2,S} -6 CS u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r1 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +11 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 765, - label = "Cds-CtCt_Cds-COC=S", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-Sp-10R!H=9R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Ct u0 {1,S} -5 CO u0 {2,S} -6 CS u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r1 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,T} +10 C ux {9,T} +11 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 766, - label = "Cds-CtCt_Cds-CdCd", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 Ct u0 {2,S} -6 Ct u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 {3,S} {7,D} +7 C u0 {6,D} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +11 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 767, - label = "Cds-CtCt_Cds-CdC=S", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_Sp-10R!H=9R!H", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 CS u0 {1,S} -5 Ct u0 {2,S} -6 Ct u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 r0 {2,D} {8,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} {7,D} +7 C u0 r0 {6,D} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C u0 r0 {2,S} {10,D} +10 C u0 r0 {9,D} +11 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 768, - label = "Cds-CtCt_Cds-C=SC=S", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_N-Sp-10R!H=9R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Ct u0 {1,S} -5 CS u0 {2,S} -6 CS u0 {2,S} +1 *1 C u0 r0 {2,D} {8,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} {7,D} +7 C u0 r0 {6,D} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C u0 r0 {2,S} {10,T} +10 C u0 r0 {9,T} +11 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 769, - label = "Cds-CtCb_Cds", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Cb u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r1 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} """, kinetics = None, ) entry( index = 770, - label = "Cds-CtCO_Cds", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 CO u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r1 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,T} +10 C ux {9,T} """, kinetics = None, ) entry( index = 771, - label = "Cds-CbCb_Cds", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 Cb u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 772, - label = "Cds-CbCO_Cds", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 CO u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} +1 *1 C u0 r0 {2,D} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} {7,D} +7 C u0 r0 {6,D} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +11 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 773, - label = "Cds-COCO_Cds", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-9R!H-2R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 CO u0 {1,S} -4 CO u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux {2,S} +10 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 774, - label = "Cds-CdCt_Cds", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-9R!H-2R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux {2,D} +10 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 775, - label = "Cds-CdCt_Cds-HH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-2R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 H u0 {2,S} -6 H u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r1 {1,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 776, - label = "Cds-CdCt_Cds-CsH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Sp-9R!H-2R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 Cs u0 {2,S} -6 H u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r1 {1,[S,D,T,B,Q]} +9 C ux r0 {2,S} """, kinetics = None, ) entry( index = 777, - label = "Cds-CdCt_Cds-CsCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-9R!H-2R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 Cs u0 {2,S} -6 Cs u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r1 {1,[S,D,T,B,Q]} +9 C ux r0 {2,D} """, kinetics = None, ) entry( index = 778, - label = "Cds-CdCt_Cds-OsH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-1R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 O2s u0 {2,S} -6 H u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 779, - label = "Cds-CdCt_Cds-OsCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 O2s u0 {2,S} -6 Cs u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 R!H u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux r0 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 780, - label = "Cds-CdCt_Cds-OsOs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 O2s u0 {2,S} -6 O2s u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux r0 {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 781, - label = "Cds-CdCt_Cds-SsH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 S2s u0 {2,S} -6 H u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux r0 {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 782, - label = "Cds-CdCt_Cds-SsCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 S2s u0 {2,S} -6 Cs u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux r0 {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 783, - label = "Cds-CdCt_Cds-SsOs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 S2s u0 {2,S} -6 O2s u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux r0 {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +12 C ux {11,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 784, - label = "Cds-CdCt_Cds-SsSs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 S2s u0 {2,S} -6 S2s u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux r1 {2,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +12 C ux {11,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 785, - label = "Cds-CdCt_Cds-OneDe", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-2R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 [H,Cs,O2s,S2s] u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {11,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux r1 {2,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +12 C ux {11,[S,D,T,B,Q]} +13 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 786, - label = "Cds-CdCt_Cds-OneDeH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 H u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {11,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {14,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux r1 {2,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +12 C ux {11,[S,D,T,B,Q]} +13 C ux {2,[S,D,T,B,Q]} +14 C ux {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 787, - label = "Cds-CdCt_Cds-CtH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 H u0 {2,S} -6 Ct u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,D} {8,S} {9,S} +2 *2 C u0 {1,D} {11,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} {10,[S,D,T,B,Q]} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C u0 r0 {3,S} {7,D} +7 C ux {6,D} +8 C u0 r0 {1,S} {14,[S,D,T,B,Q]} +9 C u0 r0 {1,S} {15,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C u0 r1 {2,[S,D,T,B,Q]} {12,B} +12 C ux r1 {11,B} +13 C ux {2,[S,D,T,B,Q]} +14 C u0 r0 {8,[S,D,T,B,Q]} +15 R!H ux {9,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 788, - label = "Cds-CdCt_Cds-CbH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-14R!H=8R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 H u0 {2,S} -6 Cb u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {11,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {14,D} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux r1 {2,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +12 C ux r1 {11,[S,D,T,B,Q]} +13 C ux {2,[S,D,T,B,Q]} +14 C ux {8,D} """, kinetics = None, ) entry( index = 789, - label = "Cds-CdCt_Cds-COH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-14R!H=8R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 H u0 {2,S} -6 CO u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {11,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {14,T} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux r1 {2,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +12 C ux r1 {11,[S,D,T,B,Q]} +13 C ux {2,[S,D,T,B,Q]} +14 C ux {8,T} """, kinetics = None, ) entry( index = 790, - label = "Cds-CdCt_Cds-CdH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-8R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {5,S} -2 *2 Cd u0 {1,D} {4,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {2,S} {8,D} -5 Ct u0 {1,S} -6 H u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux r1 {2,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +12 C ux {11,[S,D,T,B,Q]} +13 C ux {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 791, - label = "Cds-CdCt_Cds-C=SH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-8R!H-R_Ext-9R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 H u0 {2,S} -6 CS u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 r0 {2,D} {8,S} {9,S} +2 *2 C u0 r0 {1,D} {11,S} +3 *3 C u1 r0 {4,S} {6,S} {10,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {1,S} {13,[S,D,T,B,Q]} +9 C u0 r0 {1,S} {14,[S,D,T,B,Q]} +10 C u0 r0 {3,S} +11 C u0 r1 {2,S} {12,B} +12 C u0 r1 {11,B} +13 C u0 r0 {8,[S,D,T,B,Q]} +14 R!H ux {9,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 792, - label = "Cds-CdCt_Cds-OneDeCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 Cs u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {13,D} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux r1 {2,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +12 C ux r1 {11,[S,D,T,B,Q]} +13 C ux {8,D} """, kinetics = None, ) entry( index = 793, - label = "Cds-CdCt_Cds-CtCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 Cs u0 {2,S} -6 Ct u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {13,T} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux r1 {2,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +12 C ux r1 {11,[S,D,T,B,Q]} +13 C ux {8,T} """, kinetics = None, ) entry( index = 794, - label = "Cds-CdCt_Cds-CbCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 Cs u0 {2,S} -6 Cb u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux r0 {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux r0 {2,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +12 C ux {11,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 795, - label = "Cds-CdCt_Cds-COCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 Cs u0 {2,S} -6 CO u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {11,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux r0 {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux r0 {2,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +12 C ux {11,[S,D,T,B,Q]} +13 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 796, - label = "Cds-CdCt_Cds-CdCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-13R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {5,S} -2 *2 Cd u0 {1,D} {4,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {2,S} {8,D} -5 Ct u0 {1,S} -6 Cs u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {11,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux r0 {2,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +12 C ux {11,[S,D,T,B,Q]} +13 C ux {2,[S,D,T,B,Q]} {14,[S,D,T,B,Q]} +14 C ux {13,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 797, - label = "Cds-CdCt_Cds-C=SCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-13R!H-R_Ext-8R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 Cs u0 {2,S} -6 CS u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {11,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {15,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux r0 {2,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +12 C ux {11,[S,D,T,B,Q]} +13 C ux {2,[S,D,T,B,Q]} {14,[S,D,T,B,Q]} +14 C ux {13,[S,D,T,B,Q]} +15 C ux {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 798, - label = "Cds-CdCt_Cds-OneDeOs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-13R!H-R_Ext-8R!H-R_Ext-9R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 O2s u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 r0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,[D,T,B]} {11,S} {13,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,S} +4 C u0 r0 {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C u0 r0 {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C u0 r0 {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {15,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} {16,[S,D,T,B,Q]} +10 C u0 r0 {3,S} +11 C ux r0 {2,S} {12,[S,D,T,B,Q]} +12 C u0 {11,[S,D,T,B,Q]} +13 C u0 r0 {2,S} {14,[S,D,T,B,Q]} +14 C ux {13,[S,D,T,B,Q]} +15 C u0 r0 {8,[S,D,T,B,Q]} +16 R!H ux {9,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 799, - label = "Cds-CdCt_Cds-CtOs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-13R!H-R_Ext-8R!H-R_Sp-15R!H=8R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 O2s u0 {2,S} -6 Ct u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {11,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {15,D} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux r0 {2,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +12 C ux {11,[S,D,T,B,Q]} +13 C ux {2,[S,D,T,B,Q]} {14,[S,D,T,B,Q]} +14 C ux {13,[S,D,T,B,Q]} +15 C ux {8,D} """, kinetics = None, ) entry( index = 800, - label = "Cds-CdCt_Cds-CbOs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-13R!H-R_Ext-8R!H-R_N-Sp-15R!H=8R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 O2s u0 {2,S} -6 Cb u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {11,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {15,T} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux r0 {2,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +12 C ux {11,[S,D,T,B,Q]} +13 C ux {2,[S,D,T,B,Q]} {14,[S,D,T,B,Q]} +14 C ux {13,[S,D,T,B,Q]} +15 C ux {8,T} """, kinetics = None, ) entry( index = 801, - label = "Cds-CdCt_Cds-COOs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 O2s u0 {2,S} -6 CO u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {11,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {14,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux r0 {2,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +12 C ux {11,[S,D,T,B,Q]} +13 C ux {2,[S,D,T,B,Q]} +14 C ux {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 802, - label = "Cds-CdCt_Cds-CdOs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 O2s u0 {2,S} -6 Cd u0 {2,S} {8,D} -7 C u0 {3,D} -8 C u0 {6,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {11,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {14,D} +9 C ux {1,[S,D,T,B,Q]} {15,D} +10 C ux {3,[S,D,T,B,Q]} +11 C ux r0 {2,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +12 C ux {11,[S,D,T,B,Q]} +13 C ux {2,[S,D,T,B,Q]} +14 C ux {8,D} +15 C u0 {9,D} """, kinetics = None, ) entry( index = 803, - label = "Cds-CdCt_Cds-C=SOs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-12R!H=11R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 O2s u0 {2,S} -6 CS u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {11,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {14,D} +9 C ux {1,[S,D,T,B,Q]} {15,D} +10 C ux {3,[S,D,T,B,Q]} +11 C ux r0 {2,[S,D,T,B,Q]} {12,D} +12 C ux {11,D} +13 C ux {2,[S,D,T,B,Q]} +14 C ux {8,D} +15 C u0 r0 {9,D} """, kinetics = None, ) entry( index = 804, - label = "Cds-CdCt_Cds-OneDeSs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-12R!H=11R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 S2s u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {11,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {14,D} +9 C ux {1,[S,D,T,B,Q]} {15,D} +10 C ux {3,[S,D,T,B,Q]} +11 C ux r0 {2,[S,D,T,B,Q]} {12,T} +12 C ux {11,T} +13 C ux {2,[S,D,T,B,Q]} +14 C ux {8,D} +15 C u0 r0 {9,D} """, kinetics = None, ) entry( index = 805, - label = "Cds-CdCt_Cds-CtSs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-14R!H=8R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 S2s u0 {2,S} -6 Ct u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,D} {8,S} {9,S} +2 *2 C u0 {1,D} {11,S} {13,S} +3 *3 C u1 r0 {4,S} {6,S} {10,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 {3,S} {7,D} +7 C u0 {6,D} +8 C u0 r0 {1,S} {14,D} +9 C u0 {1,S} +10 C u0 {3,S} +11 C u0 r0 {2,S} {12,[S,D,T,B,Q]} +12 C u0 {11,[S,D,T,B,Q]} +13 C u0 {2,S} +14 C u0 {8,D} """, kinetics = None, ) entry( index = 806, - label = "Cds-CdCt_Cds-CbSs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-14R!H=8R!H_Sp-12R!H=11R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 S2s u0 {2,S} -6 Cb u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 r0 {2,D} {8,S} {9,S} +2 *2 C u0 r0 {1,D} {11,S} {13,S} +3 *3 C u1 r0 {4,S} {6,S} {10,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {1,S} {14,D} +9 C u0 r0 {1,S} +10 C u0 r0 {3,S} +11 C u0 r0 {2,S} {12,D} +12 C u0 r0 {11,D} +13 C u0 r0 {2,S} +14 C u0 r0 {8,D} """, kinetics = None, ) entry( index = 807, - label = "Cds-CdCt_Cds-COSs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-14R!H=8R!H_N-Sp-12R!H=11R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 S2s u0 {2,S} -6 CO u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 r0 {2,D} {8,S} {9,S} +2 *2 C u0 r0 {1,D} {11,S} {13,S} +3 *3 C u1 r0 {4,S} {6,S} {10,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {1,S} {14,D} +9 C u0 r0 {1,S} +10 C u0 r0 {3,S} +11 C u0 r0 {2,S} {12,T} +12 C u0 r0 {11,T} +13 C u0 r0 {2,S} +14 C u0 r0 {8,D} """, kinetics = None, ) entry( index = 808, - label = "Cds-CdCt_Cds-CdSs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-14R!H=8R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 S2s u0 {2,S} -6 Cd u0 {2,S} {8,D} -7 C u0 {3,D} -8 C u0 {6,D} +1 *1 C u0 {2,D} {8,S} {9,S} +2 *2 C u0 {1,D} {11,S} {13,S} +3 *3 C u1 r0 {4,S} {6,S} {10,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 {3,S} {7,D} +7 C u0 {6,D} +8 C u0 r0 {1,S} {14,T} +9 C u0 {1,S} +10 C u0 {3,S} +11 C u0 r0 {2,S} {12,[S,D,T,B,Q]} +12 C u0 {11,[S,D,T,B,Q]} +13 C u0 {2,S} +14 C u0 {8,T} """, kinetics = None, ) entry( index = 809, - label = "Cds-CdCt_Cds-C=SSs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-14R!H=8R!H_Sp-12R!H=11R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 S2s u0 {2,S} -6 CS u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 r0 {2,D} {8,S} {9,S} +2 *2 C u0 r0 {1,D} {11,S} {13,S} +3 *3 C u1 r0 {4,S} {6,S} {10,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {1,S} {14,T} +9 C u0 r0 {1,S} +10 C u0 r0 {3,S} +11 C u0 r0 {2,S} {12,D} +12 C u0 r0 {11,D} +13 C u0 r0 {2,S} +14 C u0 r0 {8,T} """, kinetics = None, ) entry( index = 810, - label = "Cds-CdCt_Cds-TwoDe", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-14R!H=8R!H_N-Sp-12R!H=11R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 r0 {2,D} {8,S} {9,S} +2 *2 C u0 r0 {1,D} {11,S} {13,S} +3 *3 C u1 r0 {4,S} {6,S} {10,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {1,S} {14,T} +9 C u0 r0 {1,S} +10 C u0 r0 {3,S} +11 C u0 r0 {2,S} {12,T} +12 C u0 r0 {11,T} +13 C u0 r0 {2,S} +14 C u0 r0 {8,T} """, kinetics = None, ) entry( index = 811, - label = "Cds-CdCt_Cds-CtCt", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Sp-12R!H=11R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 Ct u0 {2,S} -6 Ct u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {11,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux r0 {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux r0 {2,[S,D,T,B,Q]} {12,D} +12 C ux {11,D} +13 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 812, - label = "Cds-CdCt_Cds-CtCb", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_N-Sp-12R!H=11R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 Ct u0 {2,S} -6 Cb u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {11,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux r0 {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux r0 {2,[S,D,T,B,Q]} {12,T} +12 C ux {11,T} +13 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 813, - label = "Cds-CdCt_Cds-CtCO", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Sp-12R!H=11R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 Ct u0 {2,S} -6 CO u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux r0 {2,[S,D,T,B,Q]} {12,D} +12 C ux {11,D} """, kinetics = None, ) entry( index = 814, - label = "Cds-CdCt_Cds-CbCb", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Sp-12R!H=11R!H_Ext-8R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 Cb u0 {2,S} -6 Cb u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux r0 {2,[S,D,T,B,Q]} {12,D} +12 C ux {11,D} +13 C ux {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 815, - label = "Cds-CdCt_Cds-CbCO", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Sp-12R!H=11R!H_Ext-8R!H-R_Ext-9R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 Cb u0 {2,S} -6 CO u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} {14,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux r0 {2,[S,D,T,B,Q]} {12,D} +12 C ux {11,D} +13 C u0 r0 {8,[S,D,T,B,Q]} +14 R!H ux {9,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 816, - label = "Cds-CdCt_Cds-COCO", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Sp-12R!H=11R!H_Ext-8R!H-R_Sp-13R!H=8R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 CO u0 {2,S} -6 CO u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {13,D} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux r0 {2,[S,D,T,B,Q]} {12,D} +12 C ux {11,D} +13 C ux {8,D} """, kinetics = None, ) entry( index = 817, - label = "Cds-CdCt_Cds-CdCt", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Sp-12R!H=11R!H_Ext-8R!H-R_N-Sp-13R!H=8R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {5,S} -2 *2 Cd u0 {1,D} {4,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {2,S} {8,D} -5 Ct u0 {1,S} -6 Ct u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {13,T} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux r0 {2,[S,D,T,B,Q]} {12,D} +12 C ux {11,D} +13 C ux {8,T} """, kinetics = None, ) entry( index = 818, - label = "Cds-CdCt_Cds-CdCb", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_N-Sp-12R!H=11R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {5,S} -2 *2 Cd u0 {1,D} {4,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {2,S} {8,D} -5 Ct u0 {1,S} -6 Cb u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux r0 {2,[S,D,T,B,Q]} {12,T} +12 C ux {11,T} """, kinetics = None, ) entry( index = 819, - label = "Cds-CdCt_Cds-CdCO", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_N-Sp-12R!H=11R!H_Ext-8R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {5,S} -2 *2 Cd u0 {1,D} {4,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {2,S} {8,D} -5 Ct u0 {1,S} -6 CO u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux r0 {2,[S,D,T,B,Q]} {12,T} +12 C ux {11,T} +13 C ux {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 820, - label = "Cds-CdCt_Cds-CtC=S", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_N-Sp-12R!H=11R!H_Ext-8R!H-R_Ext-9R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 Ct u0 {2,S} -6 CS u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} {14,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux r0 {2,[S,D,T,B,Q]} {12,T} +12 C ux {11,T} +13 C u0 r0 {8,[S,D,T,B,Q]} +14 R!H ux {9,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 821, - label = "Cds-CdCt_Cds-CbC=S", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_N-Sp-12R!H=11R!H_Ext-8R!H-R_Sp-13R!H=8R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 Cb u0 {2,S} -6 CS u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {13,D} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux r0 {2,[S,D,T,B,Q]} {12,T} +12 C ux {11,T} +13 C ux {8,D} """, kinetics = None, ) entry( index = 822, - label = "Cds-CdCt_Cds-COC=S", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_N-Sp-12R!H=11R!H_Ext-8R!H-R_N-Sp-13R!H=8R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 CO u0 {2,S} -6 CS u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {13,T} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux r0 {2,[S,D,T,B,Q]} {12,T} +12 C ux {11,T} +13 C ux {8,T} """, kinetics = None, ) entry( index = 823, - label = "Cds-CdCt_Cds-CdCd", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-2R!H-R", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {8,D} -4 Cd u0 {1,S} {9,D} -5 Cd u0 {2,S} {7,D} -6 Ct u0 {2,S} -7 C u0 {5,D} -8 C u0 {3,D} -9 C u0 {4,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {11,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 R!H ux {2,[S,D,T,B,Q]} +12 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 824, - label = "Cds-CdCt_Cds-CdC=S", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {5,S} -2 *2 Cd u0 {1,D} {4,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {2,S} {8,D} -5 Ct u0 {1,S} -6 CS u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {11,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 R!H ux {2,[S,D,T,B,Q]} +12 R!H ux {2,[S,D,T,B,Q]} +13 C ux {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 825, - label = "Cds-CdCt_Cds-C=SC=S", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 CS u0 {2,S} -6 CS u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {11,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} {14,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 R!H ux {2,[S,D,T,B,Q]} +12 R!H ux {2,[S,D,T,B,Q]} +13 C u0 r0 {8,[S,D,T,B,Q]} +14 R!H ux {9,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 826, - label = "Cds-CdCb_Cds", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cb u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {11,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {13,D} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 R!H ux {2,[S,D,T,B,Q]} +12 R!H ux {2,[S,D,T,B,Q]} +13 C ux {8,D} """, kinetics = None, ) entry( index = 827, - label = "Cds-CdCO_Cds", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 CO u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {11,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {13,T} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 R!H ux {2,[S,D,T,B,Q]} +12 R!H ux {2,[S,D,T,B,Q]} +13 C ux {8,T} """, kinetics = None, ) entry( index = 828, - label = "Cds-CtC=S_Cds", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-11R!H-2R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 CS u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {11,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux {2,S} """, kinetics = None, ) entry( index = 829, - label = "Cds-CbC=S_Cds", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-11R!H-2R!H_Ext-8R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 CS u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {11,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux {2,S} +12 C ux {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 830, - label = "Cds-COC=S_Cds", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-11R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 CO u0 {1,S} -4 CS u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {11,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux r0 {2,S} +12 C u0 r0 {8,[S,D,T,B,Q]} +13 R!H ux {9,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 831, - label = "Cds-CdCd_Cds", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-11R!H-2R!H_Ext-8R!H-R_Sp-12R!H=8R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 R u0 {2,S} -6 R u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {11,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,D} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux {2,S} +12 C ux {8,D} """, kinetics = None, ) entry( index = 832, - label = "Cds-CdCd_Cds-HH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-11R!H-2R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 H u0 {2,S} -6 H u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {11,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,T} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux {2,S} +12 C ux {8,T} """, kinetics = None, ) entry( index = 833, - label = "Cds-CdCd_Cds-CsH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_N-Sp-11R!H-2R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 Cs u0 {2,S} -6 H u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {11,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux {2,D} """, kinetics = None, ) entry( index = 834, - label = "Cds-CdCd_Cds-CsCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_N-Sp-11R!H-2R!H_Ext-8R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 Cs u0 {2,S} -6 Cs u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {11,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux {2,D} +12 C ux {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 835, - label = "Cds-CdCd_Cds-OsH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_N-Sp-11R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 O2s u0 {2,S} -6 H u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {11,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux r0 {2,D} +12 C u0 r0 {8,[S,D,T,B,Q]} +13 R!H ux {9,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 836, - label = "Cds-CdCd_Cds-OsCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_N-Sp-11R!H-2R!H_Ext-8R!H-R_Sp-12R!H=8R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 O2s u0 {2,S} -6 Cs u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {11,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,D} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux {2,D} +12 C ux {8,D} """, kinetics = None, ) entry( index = 837, - label = "Cds-CdCd_Cds-OsOs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_N-Sp-11R!H-2R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 O2s u0 {2,S} -6 O2s u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {11,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,T} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux {2,D} +12 C ux {8,T} """, kinetics = None, ) entry( index = 838, - label = "Cds-CdCd_Cds-SsH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-8R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 S2s u0 {2,S} -6 H u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 839, - label = "Cds-CdCd_Cds-SsCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-8R!H-R_Ext-9R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 S2s u0 {2,S} -6 Cs u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 r0 {2,D} {8,S} {9,S} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,S} {6,S} {10,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {1,S} {11,[S,D,T,B,Q]} +9 C u0 r0 {1,S} {12,[S,D,T,B,Q]} +10 C u0 r0 {3,S} +11 C u0 r0 {8,[S,D,T,B,Q]} +12 R!H ux {9,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 840, - label = "Cds-CdCd_Cds-SsOs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-8R!H-R_Sp-11R!H=8R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 S2s u0 {2,S} -6 O2s u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,D} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux {8,D} """, kinetics = None, ) entry( index = 841, - label = "Cds-CdCd_Cds-SsSs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-8R!H-R_N-Sp-11R!H=8R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 S2s u0 {2,S} -6 S2s u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,T} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux {8,T} """, kinetics = None, ) entry( index = 842, - label = "Cds-CdCd_Cds-OneDe", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 [H,Cs,O2s,S2s] u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux r0 {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 843, - label = "Cds-CdCd_Cds-OneDeH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 H u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux r0 {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 C ux {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 844, - label = "Cds-CdCd_Cds-CtH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 H u0 {2,S} -6 Ct u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r1 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 845, - label = "Cds-CdCd_Cds-CbH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 H u0 {2,S} -6 Cb u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r1 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 846, - label = "Cds-CdCd_Cds-COH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 H u0 {2,S} -6 CO u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r1 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} +13 C ux {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 847, - label = "Cds-CdCd_Cds-CdH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 Cd u0 {2,S} {9,D} -6 H u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} -9 C u0 {5,D} +1 *1 C u0 r0 {2,D} {8,S} {9,S} +2 *2 C u0 r0 {1,D} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {1,S} {13,[S,D,T,B,Q]} +9 C u0 r0 {1,S} {14,[S,D,T,B,Q]} +10 C u0 r1 {2,[S,D,T,B,Q]} {11,B} +11 C ux r1 {10,B} +12 C ux {2,[S,D,T,B,Q]} +13 C u0 r0 {8,[S,D,T,B,Q]} +14 R!H ux {9,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 848, - label = "Cds-CdCd_Cds-C=SH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 H u0 {2,S} -6 CS u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {13,D} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r1 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux r1 {10,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} +13 C ux {8,D} """, kinetics = None, ) entry( index = 849, - label = "Cds-CdCd_Cds-OneDeCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 Cs u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {13,T} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r1 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux r1 {10,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} +13 C ux {8,T} """, kinetics = None, ) entry( index = 850, - label = "Cds-CdCd_Cds-CtCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 Cs u0 {2,S} -6 Ct u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r1 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 851, - label = "Cds-CdCd_Cds-CbCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R_Ext-9R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 Cs u0 {2,S} -6 Cb u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 r0 {2,D} {8,S} {9,S} +2 *2 C u0 r0 {1,D} {10,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {1,S} {12,[S,D,T,B,Q]} +9 C u0 r0 {1,S} {13,[S,D,T,B,Q]} +10 C u0 r1 {2,S} {11,B} +11 C u0 r1 {10,B} +12 C u0 r0 {8,[S,D,T,B,Q]} +13 R!H ux {9,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 852, - label = "Cds-CdCd_Cds-COCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R_Sp-12R!H=8R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 Cs u0 {2,S} -6 CO u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,D} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r1 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux r1 {10,[S,D,T,B,Q]} +12 C ux {8,D} """, kinetics = None, ) entry( index = 853, - label = "Cds-CdCd_Cds-CdCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R_N-Sp-12R!H=8R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 Cd u0 {2,S} {9,D} -6 Cs u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} -9 C u0 {5,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,T} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r1 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux r1 {10,[S,D,T,B,Q]} +12 C ux {8,T} """, kinetics = None, ) entry( index = 854, - label = "Cds-CdCd_Cds-C=SCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 Cs u0 {2,S} -6 CS u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux r0 {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 855, - label = "Cds-CdCd_Cds-OneDeOs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 O2s u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux r0 {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 856, - label = "Cds-CdCd_Cds-CtOs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 O2s u0 {2,S} -6 Ct u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +13 C ux {12,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 857, - label = "Cds-CdCd_Cds-CbOs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 O2s u0 {2,S} -6 Cb u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {14,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +13 C ux {12,[S,D,T,B,Q]} +14 C ux {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 858, - label = "Cds-CdCd_Cds-COOs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_Ext-9R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 O2s u0 {2,S} -6 CO u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,S} {12,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {14,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} {15,[S,D,T,B,Q]} +10 C ux r0 {2,S} {11,[S,D,T,B,Q]} +11 C u0 {10,[S,D,T,B,Q]} +12 C u0 r0 {2,S} {13,[S,D,T,B,Q]} +13 C ux {12,[S,D,T,B,Q]} +14 C u0 r0 {8,[S,D,T,B,Q]} +15 R!H ux {9,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 859, - label = "Cds-CdCd_Cds-CdOs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_Sp-14R!H=8R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 O2s u0 {2,S} -6 Cd u0 {2,S} {9,D} -7 C u0 {3,D} -8 C u0 {4,D} -9 C u0 {6,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {14,D} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +13 C ux {12,[S,D,T,B,Q]} +14 C ux {8,D} """, kinetics = None, ) entry( index = 860, - label = "Cds-CdCd_Cds-C=SOs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_N-Sp-14R!H=8R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 O2s u0 {2,S} -6 CS u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {14,T} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +13 C ux {12,[S,D,T,B,Q]} +14 C ux {8,T} """, kinetics = None, ) entry( index = 861, - label = "Cds-CdCd_Cds-OneDeSs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 S2s u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} +13 C ux {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 862, - label = "Cds-CdCd_Cds-CtSs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 S2s u0 {2,S} -6 Ct u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {13,D} +9 C ux {1,[S,D,T,B,Q]} {14,D} +10 C ux r0 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} +13 C ux {8,D} +14 C u0 {9,D} """, kinetics = None, ) entry( index = 863, - label = "Cds-CdCd_Cds-CbSs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-11R!H=10R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 S2s u0 {2,S} -6 Cb u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {13,D} +9 C ux {1,[S,D,T,B,Q]} {14,D} +10 C ux r0 {2,[S,D,T,B,Q]} {11,D} +11 C ux {10,D} +12 C ux {2,[S,D,T,B,Q]} +13 C ux {8,D} +14 C u0 r0 {9,D} """, kinetics = None, ) entry( index = 864, - label = "Cds-CdCd_Cds-COSs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-11R!H=10R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 S2s u0 {2,S} -6 CO u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {13,D} +9 C ux {1,[S,D,T,B,Q]} {14,D} +10 C ux r0 {2,[S,D,T,B,Q]} {11,T} +11 C ux {10,T} +12 C ux {2,[S,D,T,B,Q]} +13 C ux {8,D} +14 C u0 r0 {9,D} """, kinetics = None, ) entry( index = 865, - label = "Cds-CdCd_Cds-CdSs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 S2s u0 {2,S} -6 Cd u0 {2,S} {9,D} -7 C u0 {3,D} -8 C u0 {4,D} -9 C u0 {6,D} +1 *1 C u0 {2,D} {8,S} {9,S} +2 *2 C u0 {1,D} {10,S} {12,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 {3,S} {7,D} +7 C u0 {6,D} +8 C u0 r0 {1,S} {13,D} +9 C u0 {1,S} +10 C u0 r0 {2,S} {11,[S,D,T,B,Q]} +11 C u0 {10,[S,D,T,B,Q]} +12 C u0 {2,S} +13 C u0 {8,D} """, kinetics = None, ) entry( index = 866, - label = "Cds-CdCd_Cds-C=SSs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_Sp-11R!H=10R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 S2s u0 {2,S} -6 CS u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 r0 {2,D} {8,S} {9,S} +2 *2 C u0 r0 {1,D} {10,S} {12,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {1,S} {13,D} +9 C u0 r0 {1,S} +10 C u0 r0 {2,S} {11,D} +11 C u0 r0 {10,D} +12 C u0 r0 {2,S} +13 C u0 r0 {8,D} """, kinetics = None, ) entry( index = 867, - label = "Cds-CdCd_Cds-TwoDe", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_N-Sp-11R!H=10R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 r0 {2,D} {8,S} {9,S} +2 *2 C u0 r0 {1,D} {10,S} {12,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {1,S} {13,D} +9 C u0 r0 {1,S} +10 C u0 r0 {2,S} {11,T} +11 C u0 r0 {10,T} +12 C u0 r0 {2,S} +13 C u0 r0 {8,D} """, kinetics = None, ) entry( index = 868, - label = "Cds-CdCd_Cds-CtCt", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 Ct u0 {2,S} -6 Ct u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,D} {8,S} {9,S} +2 *2 C u0 {1,D} {10,S} {12,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 {3,S} {7,D} +7 C u0 {6,D} +8 C u0 r0 {1,S} {13,T} +9 C u0 {1,S} +10 C u0 r0 {2,S} {11,[S,D,T,B,Q]} +11 C u0 {10,[S,D,T,B,Q]} +12 C u0 {2,S} +13 C u0 {8,T} """, kinetics = None, ) entry( index = 869, - label = "Cds-CdCd_Cds-CtCb", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_Sp-11R!H=10R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 Ct u0 {2,S} -6 Cb u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 r0 {2,D} {8,S} {9,S} +2 *2 C u0 r0 {1,D} {10,S} {12,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {1,S} {13,T} +9 C u0 r0 {1,S} +10 C u0 r0 {2,S} {11,D} +11 C u0 r0 {10,D} +12 C u0 r0 {2,S} +13 C u0 r0 {8,T} """, kinetics = None, ) entry( index = 870, - label = "Cds-CdCd_Cds-CtCO", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_N-Sp-11R!H=10R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 Ct u0 {2,S} -6 CO u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 r0 {2,D} {8,S} {9,S} +2 *2 C u0 r0 {1,D} {10,S} {12,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {1,S} {13,T} +9 C u0 r0 {1,S} +10 C u0 r0 {2,S} {11,T} +11 C u0 r0 {10,T} +12 C u0 r0 {2,S} +13 C u0 r0 {8,T} """, kinetics = None, ) entry( index = 871, - label = "Cds-CdCd_Cds-CbCb", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Sp-11R!H=10R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 Cb u0 {2,S} -6 Cb u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux r0 {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,D} +11 C ux {10,D} +12 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 872, - label = "Cds-CdCd_Cds-CbCO", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-Sp-11R!H=10R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 Cb u0 {2,S} -6 CO u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux r0 {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,T} +11 C ux {10,T} +12 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 873, - label = "Cds-CdCd_Cds-COCO", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 CO u0 {2,S} -6 CO u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,D} +11 C ux {10,D} """, kinetics = None, ) entry( index = 874, - label = "Cds-CdCd_Cds-CdCt", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 Cd u0 {2,S} {9,D} -6 Ct u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} -9 C u0 {5,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,D} +11 C ux {10,D} +12 C ux {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 875, - label = "Cds-CdCd_Cds-CdCb", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 Cd u0 {2,S} {9,D} -6 Cb u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} -9 C u0 {5,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,D} +11 C ux {10,D} +12 C u0 r0 {8,[S,D,T,B,Q]} +13 R!H ux {9,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 876, - label = "Cds-CdCd_Cds-CdCO", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 Cd u0 {2,S} {9,D} -6 CO u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} -9 C u0 {5,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,D} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,D} +11 C ux {10,D} +12 C ux {8,D} """, kinetics = None, ) entry( index = 877, - label = "Cds-CdCd_Cds-CtC=S", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 Ct u0 {2,S} -6 CS u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,T} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,D} +11 C ux {10,D} +12 C ux {8,T} """, kinetics = None, ) entry( index = 878, - label = "Cds-CdCd_Cds-CbC=S", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 Cb u0 {2,S} -6 CS u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,T} +11 C ux {10,T} """, kinetics = None, ) entry( index = 879, - label = "Cds-CdCd_Cds-COC=S", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 CO u0 {2,S} -6 CS u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,T} +11 C ux {10,T} +12 C ux {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 880, - label = "Cds-CdCd_Cds-CdCd", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 Cd u0 {2,S} {9,D} -6 Cd u0 {2,S} {10,D} -7 C u0 {3,D} -8 C u0 {4,D} -9 C u0 {5,D} -10 C u0 {6,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,T} +11 C ux {10,T} +12 C u0 r0 {8,[S,D,T,B,Q]} +13 R!H ux {9,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 881, - label = "Cds-CdCd_Cds-CdC=S", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 Cd u0 {2,S} {9,D} -6 CS u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} -9 C u0 {5,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,D} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,T} +11 C ux {10,T} +12 C ux {8,D} """, kinetics = None, ) entry( index = 882, - label = "Cds-CdCd_Cds-C=SC=S", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 CS u0 {2,S} -6 CS u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,T} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,T} +11 C ux {10,T} +12 C ux {8,T} """, kinetics = None, ) entry( index = 883, - label = "Cds-CdC=S_Cds", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 CS u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 884, - label = "Cds-C=SC=S_Cds", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 CS u0 {1,S} -4 CS u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 R!H ux {2,[S,D,T,B,Q]} +12 C ux {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 885, - label = "Cds-OJH_Cds", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 O u1 {1,S} -4 H u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 R!H ux {2,[S,D,T,B,Q]} +12 C u0 r0 {8,[S,D,T,B,Q]} +13 R!H ux {9,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 886, - label = "Cds-OJH_Cds-HH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 O u1 {1,S} -4 H u0 {1,S} -5 H u0 {2,S} -6 H u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,D} +9 C ux {1,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 R!H ux {2,[S,D,T,B,Q]} +12 C ux {8,D} """, kinetics = None, ) entry( index = 887, - label = "Cds-OJH_Cds-CsH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 O u1 {1,S} -4 H u0 {1,S} -5 Cs u0 {2,S} -6 H u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,T} +9 C ux {1,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 R!H ux {2,[S,D,T,B,Q]} +12 C ux {8,T} """, kinetics = None, ) entry( index = 888, - label = "Cds-OJNonDe_Cds", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-10R!H-2R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 O u1 {1,S} -4 [Cs,O2s,S2s,N3s,N5sc] u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {2,S} """, kinetics = None, ) entry( index = 889, - label = "Cds-OJCs_Cds-HH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 O u1 {1,S} -4 Cs u0 {1,S} -5 H u0 {2,S} -6 H u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {2,S} +11 C ux {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 890, - label = "Cds-OJDe_Cds", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 O u1 {1,S} -4 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +10 C ux r0 {2,S} +11 C u0 r0 {8,[S,D,T,B,Q]} +12 R!H ux {9,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 891, - label = "Ct_R", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H", group = """ -1 *1 Ct u0 {2,T} -2 *2 R!H u0 {1,T} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,D} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {2,S} +11 C ux {8,D} """, kinetics = None, ) entry( index = 892, - label = "Ct_Ct", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H", group = """ -1 *1 Ct u0 {2,T} -2 *2 Ct u0 {1,T} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,T} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {2,S} +11 C ux {8,T} """, kinetics = None, ) entry( index = 893, - label = "Ct-H_Ct-H", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-10R!H-2R!H", group = """ -1 *1 Ct u0 {2,T} {3,S} -2 *2 Ct u0 {1,T} {4,S} -3 H u0 {1,S} -4 H u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {2,D} """, kinetics = None, ) entry( index = 894, - label = "Ct-H_Ct-Cs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R", group = """ -1 *1 Ct u0 {2,T} {3,S} -2 *2 Ct u0 {1,T} {4,S} -3 H u0 {1,S} -4 Cs u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {2,D} +11 C ux {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 895, - label = "Ct-Cs_Ct-H", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R", group = """ -1 *1 Ct u0 {2,T} {3,S} -2 *2 Ct u0 {1,T} {4,S} -3 Cs u0 {1,S} -4 H u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +10 C ux r0 {2,D} +11 C u0 r0 {8,[S,D,T,B,Q]} +12 R!H ux {9,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 896, - label = "Ct-Cs_Ct-Cs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H", group = """ -1 *1 Ct u0 {2,T} {3,S} -2 *2 Ct u0 {1,T} {4,S} -3 Cs u0 {1,S} -4 Cs u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,D} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {2,D} +11 C ux {8,D} """, kinetics = None, ) entry( index = 897, - label = "Ct-H_Ct-De", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H", group = """ -1 *1 Ct u0 {2,T} {3,S} -2 *2 Ct u0 {1,T} {4,S} -3 H u0 {1,S} -4 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,T} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {2,D} +11 C ux {8,T} """, kinetics = None, ) entry( index = 898, - label = "Ct-H_Ct-Ct", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-8R!H-R", group = """ -1 *1 Ct u0 {2,T} {3,S} -2 *2 Ct u0 {1,T} {4,S} -3 H u0 {1,S} -4 Ct u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 899, - label = "Ct-H_Ct-Cb", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-8R!H-R_Ext-9R!H-R", group = """ -1 *1 Ct u0 {2,T} {3,S} -2 *2 Ct u0 {1,T} {4,S} -3 H u0 {1,S} -4 Cb u0 {2,S} +1 *1 C u0 r0 {2,D} {8,S} {9,S} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +9 C u0 r0 {1,S} {11,[S,D,T,B,Q]} +10 C u0 r0 {8,[S,D,T,B,Q]} +11 R!H ux {9,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 900, - label = "Ct-H_Ct-CO", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-8R!H-R_Sp-10R!H=8R!H", group = """ -1 *1 Ct u0 {2,T} {3,S} -2 *2 Ct u0 {1,T} {4,S} -3 H u0 {1,S} -4 CO u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {10,D} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {8,D} """, kinetics = None, ) entry( index = 901, - label = "Ct-H_Ct-Cd", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-8R!H-R_N-Sp-10R!H=8R!H", group = """ -1 *2 Ct u0 {2,T} {3,S} -2 *1 Ct u0 {1,T} {4,S} -3 Cd u0 {1,S} {5,D} -4 H u0 {2,S} -5 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {10,T} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {8,T} """, kinetics = None, ) entry( index = 902, - label = "Ct-H_Ct-Cd-C-Cb", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R", group = """ -1 *1 Ct u0 {2,T} {3,S} -2 *2 Ct u0 {1,T} {4,S} -3 H u0 {1,S} -4 Cd u0 {2,S} {5,D} -5 C u0 {4,D} {6,S} -6 Cb u0 {5,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 R!H u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux r0 {1,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 903, - label = "Ct-H_Ct-C=S", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R", group = """ -1 *1 Ct u0 {2,T} {3,S} -2 *2 Ct u0 {1,T} {4,S} -3 H u0 {1,S} -4 CS u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 904, - label = "Ct-Cs_Ct-De", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing", group = """ -1 *1 Ct u0 {2,T} {3,S} -2 *2 Ct u0 {1,T} {4,S} -3 Cs u0 {1,S} -4 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} {9,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 {3,S} {7,D} +7 C u0 {6,D} +8 C u0 r0 {1,S} +9 C u0 {3,S} +10 R!H ux r1 {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 905, - label = "Ct-Cs_Ct-Ct", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing_Ext-2R!H-R", group = """ -1 *1 Ct u0 {2,T} {3,S} -2 *2 Ct u0 {1,T} {4,S} -3 Cs u0 {1,S} -4 Ct u0 {2,S} +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} {9,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 {3,S} {7,D} +7 C u0 {6,D} +8 C u0 r0 {1,S} +9 C u0 {3,S} +10 R!H ux r1 {2,[S,D,T,B,Q]} +11 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 906, - label = "Ct-Cs_Ct-Cb", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R", group = """ -1 *1 Ct u0 {2,T} {3,S} -2 *2 Ct u0 {1,T} {4,S} -3 Cs u0 {1,S} -4 Cb u0 {2,S} +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} {9,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 {3,S} {7,D} +7 C u0 {6,D} +8 C u0 r0 {1,S} {12,[S,D,T,B,Q]} +9 C u0 {3,S} +10 R!H ux r1 {2,[S,D,T,B,Q]} +11 R!H ux {2,[S,D,T,B,Q]} +12 C u0 {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 907, - label = "Ct-Cs_Ct-CO", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H", group = """ -1 *1 Ct u0 {2,T} {3,S} -2 *2 Ct u0 {1,T} {4,S} -3 Cs u0 {1,S} -4 CO u0 {2,S} +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} {9,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {1,S} {12,D} +9 C u0 r0 {3,S} +10 R!H ux r1 {2,[S,D,T,B,Q]} +11 R!H ux {2,[S,D,T,B,Q]} +12 C u0 r0 {8,D} """, kinetics = None, ) entry( index = 908, - label = "Ct-Cs_Ct-Cd", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H", group = """ -1 *2 Ct u0 {2,T} {3,S} -2 *1 Ct u0 {1,T} {4,S} -3 Cd u0 {1,S} {5,D} -4 Cs u0 {2,S} -5 C u0 {3,D} +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} {9,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {1,S} {12,[S,T,Q,B]} +9 C u0 r0 {3,S} +10 R!H ux r1 {2,[S,D,T,B,Q]} +11 R!H ux {2,[S,D,T,B,Q]} +12 C u0 r0 {8,[S,T,Q,B]} """, kinetics = None, ) entry( index = 909, - label = "Ct-Cs_Ct-C=S", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing_Ext-8R!H-R", group = """ -1 *1 Ct u0 {2,T} {3,S} -2 *2 Ct u0 {1,T} {4,S} -3 Cs u0 {1,S} -4 CS u0 {2,S} +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {10,S} +3 *3 C u1 r0 {4,S} {6,S} {9,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 {3,S} {7,D} +7 C u0 {6,D} +8 C u0 r0 {1,S} {11,[S,D,T,B,Q]} +9 C u0 {3,S} +10 C u0 r1 {2,S} +11 C u0 {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 910, - label = "Ct-De_Ct-H", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing_Ext-8R!H-R_Sp-11R!H=8R!H", group = """ -1 *1 Ct u0 {2,T} {3,S} -2 *2 Ct u0 {1,T} {4,S} -3 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -4 H u0 {2,S} +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {10,S} +3 *3 C u1 r0 {4,S} {6,S} {9,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {1,S} {11,D} +9 C u0 r0 {3,S} +10 C u0 r1 {2,S} +11 C u0 r0 {8,D} """, kinetics = None, ) entry( index = 911, - label = "Ct-Cb_Ct-H", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing_Ext-8R!H-R_N-Sp-11R!H=8R!H", group = """ -1 *1 Ct u0 {2,T} {3,S} -2 *2 Ct u0 {1,T} {4,S} -3 Cb u0 {1,S} -4 H u0 {2,S} +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {10,S} +3 *3 C u1 r0 {4,S} {6,S} {9,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {1,S} {11,[S,T,Q,B]} +9 C u0 r0 {3,S} +10 C u0 r1 {2,S} +11 C u0 r0 {8,[S,T,Q,B]} """, kinetics = None, ) entry( index = 912, - label = "Ct-CO_Ct-H", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing", group = """ -1 *1 Ct u0 {2,T} {3,S} -2 *2 Ct u0 {1,T} {4,S} -3 CO u0 {1,S} -4 H u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 R!H ux r0 {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 913, - label = "Ct-Cd_Ct-H", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R", group = """ -1 *1 Ct u0 {2,T} {3,S} -2 *2 Ct u0 {1,T} {4,S} -3 Cd u0 {1,S} {5,D} -4 H u0 {2,S} -5 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 914, - label = "Ct-Ct_Ct-H", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H", group = """ -1 *1 Ct u0 {2,T} {3,S} -2 *2 Ct u0 {1,T} {4,S} -3 Ct u0 {1,S} {5,T} -4 H u0 {2,S} -5 Ct u0 {3,T} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 915, - label = "Ct-C=S_Ct-H", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R", group = """ -1 *1 Ct u0 {2,T} {3,S} -2 *2 Ct u0 {1,T} {4,S} -3 CS u0 {1,S} -4 H u0 {2,S} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 916, - label = "Ct-De_Ct-Cs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-12R!H-R", group = """ -1 *1 Ct u0 {2,T} {3,S} -2 *2 Ct u0 {1,T} {4,S} -3 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -4 Cs u0 {2,S} +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {10,S} {12,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,S} +9 C ux {3,[S,D,T,B,Q]} +10 C u0 r0 {2,S} {11,[S,D,T,B,Q]} +11 C u0 {10,[S,D,T,B,Q]} +12 C u0 {2,S} {13,[S,D,T,B,Q]} +13 C ux {12,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 917, - label = "Ct-Cb_Ct-Cs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R", group = """ -1 *1 Ct u0 {2,T} {3,S} -2 *2 Ct u0 {1,T} {4,S} -3 Cb u0 {1,S} -4 Cs u0 {2,S} +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {10,S} {12,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,S} {14,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 C u0 r0 {2,S} {11,[S,D,T,B,Q]} +11 C u0 {10,[S,D,T,B,Q]} +12 C u0 {2,S} {13,[S,D,T,B,Q]} +13 C ux {12,[S,D,T,B,Q]} +14 C u0 {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 918, - label = "Ct-CO_Ct-Cs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_Sp-14R!H=8R!H", group = """ -1 *1 Ct u0 {2,T} {3,S} -2 *2 Ct u0 {1,T} {4,S} -3 CO u0 {1,S} -4 Cs u0 {2,S} +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {10,S} {12,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,S} {14,D} +9 C ux {3,[S,D,T,B,Q]} +10 C u0 r0 {2,S} {11,[S,D,T,B,Q]} +11 C u0 r0 {10,[S,D,T,B,Q]} +12 C u0 r0 {2,S} {13,[S,D,T,B,Q]} +13 C ux {12,[S,D,T,B,Q]} +14 C u0 r0 {8,D} """, kinetics = None, ) entry( index = 919, - label = "Ct-Cd_Ct-Cs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_N-Sp-14R!H=8R!H", group = """ -1 *1 Ct u0 {2,T} {3,S} -2 *2 Ct u0 {1,T} {4,S} -3 Cd u0 {1,S} -4 Cs u0 {2,S} +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {10,S} {12,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,S} {14,[S,T,Q,B]} +9 C ux {3,[S,D,T,B,Q]} +10 C u0 r0 {2,S} {11,[S,D,T,B,Q]} +11 C u0 r0 {10,[S,D,T,B,Q]} +12 C u0 r0 {2,S} {13,[S,D,T,B,Q]} +13 C ux {12,[S,D,T,B,Q]} +14 C u0 r0 {8,[S,T,Q,B]} """, kinetics = None, ) entry( index = 920, - label = "Ct-Ct_Ct-Cs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R", group = """ -1 *1 Ct u0 {2,T} {3,S} -2 *2 Ct u0 {1,T} {4,S} -3 Ct u0 {1,S} {5,T} -4 Cs u0 {2,S} -5 C u0 {3,T} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} +13 C ux {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 921, - label = "Ct-CS_Ct-Cs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H", group = """ -1 *1 Ct u0 {2,T} {3,S} -2 *2 Ct u0 {1,T} {4,S} -3 CS u0 {1,S} -4 Cs u0 {2,S} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {13,D} +9 C ux {3,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} +13 C ux {8,D} """, kinetics = None, ) entry( index = 922, - label = "Ct-De_Ct-De", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_Sp-11R!H=10R!H", group = """ -1 *1 Ct u0 {2,T} {3,S} -2 *2 Ct u0 {1,T} {4,S} -3 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -4 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {13,D} +9 C ux {3,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,D} +11 C ux {10,D} +12 C ux {2,[S,D,T,B,Q]} +13 C ux {8,D} """, kinetics = None, ) entry( index = 923, - label = "Ct-Ct_Ct-Ct", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_N-Sp-11R!H=10R!H", group = """ -1 *1 Ct u0 {2,T} {3,S} -2 *2 Ct u0 {1,T} {4,S} -3 Ct u0 {1,S} -4 Ct u0 {2,S} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {13,D} +9 C ux {3,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,T} +11 C ux {10,T} +12 C ux {2,[S,D,T,B,Q]} +13 C ux {8,D} """, kinetics = None, ) entry( index = 924, - label = "Ct-Cd_Ct-Ct", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H", group = """ -1 *1 Ct u0 {2,T} {3,S} -2 *2 Ct u0 {1,T} {4,S} -3 Cd u0 {1,S} {5,D} -4 Ct u0 {2,S} -5 C u0 {3,D} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {13,[S,T,Q,B]} +9 C ux {3,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} +13 C ux {8,[S,T,Q,B]} """, kinetics = None, ) entry( index = 925, - label = "Ct-Ct_Ct-Cd", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_Sp-11R!H=10R!H", group = """ -1 *2 Ct u0 {2,T} {3,S} -2 *1 Ct u0 {1,T} {4,S} -3 Cd u0 {1,S} {5,D} -4 Ct u0 {2,S} -5 C u0 {3,D} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {13,[S,T,Q,B]} +9 C ux {3,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,D} +11 C ux {10,D} +12 C ux {2,[S,D,T,B,Q]} +13 C ux {8,[S,T,Q,B]} """, kinetics = None, ) entry( index = 926, - label = "Ct-Cd_Ct-Cd", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_N-Sp-11R!H=10R!H", group = """ -1 *1 Ct u0 {2,T} {3,S} -2 *2 Ct u0 {1,T} {4,S} -3 Cd u0 {1,S} {5,D} -4 Cd u0 {2,S} {6,D} -5 C u0 {3,D} -6 C u0 {4,D} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {13,[S,T,Q,B]} +9 C ux {3,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,T} +11 C ux {10,T} +12 C ux {2,[S,D,T,B,Q]} +13 C ux {8,[S,T,Q,B]} """, kinetics = None, ) entry( index = 927, - label = "Ct-Cd_Ct-Cd_cyc6", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-11R!H=10R!H", group = """ -1 *1 Ct u0 {2,T} {3,S} -2 *2 Ct u0 {1,T} {4,S} -3 Cd u0 {1,S} {5,D} -4 Cd u0 {2,S} {6,D} -5 Cd u0 {3,D} {6,S} -6 Cd u0 {4,D} {5,S} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,D} +11 C ux {10,D} +12 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 928, - label = "Ct-De_Ct-Cb", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-11R!H=10R!H", group = """ -1 *1 Ct u0 {2,T} {3,S} -2 *2 Ct u0 {1,T} {4,S} -3 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -4 Cb u0 {2,S} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,T} +11 C ux {10,T} +12 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 929, - label = "Ct-Cd_Ct-Cb", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R", group = """ -1 *1 Ct u0 {2,T} {3,S} -2 *2 Ct u0 {1,T} {4,S} -3 Cd u0 {1,S} -4 Cb u0 {2,S} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 930, - label = "Ct-CdCdCb_Ct-Cb_cyc6", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-12R!H=8R!H", group = """ -1 *1 Ct u0 {2,T} {3,S} -2 *2 Ct u0 {1,T} {4,S} -3 Cd u0 {1,S} {5,D} -4 Cb u0 {2,S} {6,B} -5 Cd u0 {3,D} {6,S} -6 Cb u0 {4,B} {5,S} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,D} +9 C ux {3,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {8,D} """, kinetics = None, ) entry( index = 931, - label = "Ct-Cb_Ct-Cd", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-12R!H=8R!H_Sp-11R!H=10R!H", group = """ -1 *1 Ct u0 {2,T} {4,S} -2 *2 Ct u0 {1,T} {3,S} -3 Cd u0 {2,S} -4 Cb u0 {1,S} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,D} +9 C ux {3,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,D} +11 C ux {10,D} +12 C ux {8,D} """, kinetics = None, ) entry( index = 932, - label = "Ct-Cb_Ct-CdCdCb_cyc6", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-12R!H=8R!H_N-Sp-11R!H=10R!H", group = """ -1 *2 Ct u0 {2,T} {3,S} -2 *1 Ct u0 {1,T} {4,S} -3 Cd u0 {1,S} {5,D} -4 Cb u0 {2,S} {6,B} -5 Cd u0 {3,D} {6,S} -6 Cb u0 {4,B} {5,S} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,D} +9 C ux {3,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,T} +11 C ux {10,T} +12 C ux {8,D} """, kinetics = None, ) entry( index = 933, - label = "Ct-Cb_Ct-CdCb_cyc5", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H", group = """ -1 *1 Ct u0 {2,T} {4,S} -2 *2 Ct u0 {1,T} {3,S} -3 Cd u0 {2,S} {5,S} -4 Cb u0 {1,S} {5,B} -5 Cb u0 {3,S} {4,B} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,[S,T,Q,B]} +9 C ux {3,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {8,[S,T,Q,B]} """, kinetics = None, ) entry( index = 934, - label = "Ct-O_Ct", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H_Sp-11R!H=10R!H", group = """ -1 *1 Ct u0 {2,T} {3,S} -2 *2 Ct u0 {1,T} -3 O u0 {1,S} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,[S,T,Q,B]} +9 C ux {3,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,D} +11 C ux {10,D} +12 C ux {8,[S,T,Q,B]} """, kinetics = None, ) entry( index = 935, - label = "Ct-O_Ct-Cb", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H_N-Sp-11R!H=10R!H", group = """ -1 *1 Ct u0 {2,T} {3,S} -2 *2 Ct u0 {1,T} {4,S} -3 O u0 {1,S} -4 Cb u0 {2,S} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,[S,T,Q,B]} +9 C ux {3,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,T} +11 C ux {10,T} +12 C ux {8,[S,T,Q,B]} """, kinetics = None, ) entry( index = 936, - label = "Ct_Nt", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Sp-11R!H=10R!H", group = """ -1 *1 Ct u0 {2,T} -2 *2 [N3t,N5tc] u0 {1,T} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,D} +11 C ux {10,D} """, kinetics = None, ) entry( index = 937, - label = "Ct_N3t", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_N-Sp-11R!H=10R!H", group = """ -1 *1 Ct u0 {2,T} -2 *2 N3t u0 {1,T} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,T} +11 C ux {10,T} """, kinetics = None, ) entry( index = 938, - label = "Ct-H_N3t", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H", group = """ -1 *1 Ct u0 {2,T} {3,S} -2 *2 N3t u0 {1,T} -3 H u0 {1,S} +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} {9,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 {3,S} {7,D} +7 C u0 {6,D} +8 C u0 r0 {1,[S,D,T,B,Q]} +9 C u0 {3,S} +10 C ux r0 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 939, - label = "Ct-NonDe_N3t", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_Sp-11R!H=10R!H", group = """ -1 *1 Ct u0 {2,T} {3,S} -2 *2 N3t u0 {1,T} -3 [Cs,N3s,N5sc,O2s,S2s] u0 {1,S} +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} {9,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 {3,S} {7,D} +7 C u0 {6,D} +8 C u0 r0 {1,[S,D,T,B,Q]} +9 C u0 {3,S} +10 C ux r0 {2,[S,D,T,B,Q]} {11,D} +11 C ux {10,D} """, kinetics = None, ) entry( index = 940, - label = "Ct-OneDe_N3t", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_Sp-11R!H=10R!H_Ext-8R!H-R", group = """ -1 *1 Ct u0 {2,T} {3,S} -2 *2 N3t u0 {1,T} -3 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} {9,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 {3,S} {7,D} +7 C u0 {6,D} +8 C u0 r0 {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +9 C u0 {3,S} +10 C ux r0 {2,[S,D,T,B,Q]} {11,D} +11 C ux {10,D} +12 C u0 {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 941, - label = "Ct_N5t", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H", group = """ -1 *1 Ct u0 {2,T} -2 *2 N5tc u0 {1,T} +1 *1 C u0 r0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,T} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} {9,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {1,[S,D,T,B,Q]} {12,D} +9 C u0 r0 {3,S} +10 C ux r0 {2,[S,D,T,B,Q]} {11,D} +11 C ux {10,D} +12 C u0 r0 {8,D} """, kinetics = None, ) entry( index = 942, - label = "Od_R", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H", group = """ -1 *1 O2d u0 {2,D} -2 *2 R!H u0 {1,D} +1 *1 C u0 r0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,T} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} {9,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {1,[S,D,T,B,Q]} {12,[S,T,Q,B]} +9 C u0 r0 {3,S} +10 C ux r0 {2,[S,D,T,B,Q]} {11,D} +11 C ux {10,D} +12 C u0 r0 {8,[S,T,Q,B]} """, kinetics = None, ) entry( index = 943, - label = "Od_CO", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_N-Sp-11R!H=10R!H", group = """ -1 *2 C u0 {2,D} {3,S} {4,S} -2 *1 O2d u0 {1,D} -3 R u0 {1,S} -4 R u0 {1,S} +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} {9,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 {3,S} {7,D} +7 C u0 {6,D} +8 C u0 r0 {1,[S,D,T,B,Q]} +9 C u0 {3,S} +10 C ux r0 {2,[S,D,T,B,Q]} {11,T} +11 C ux {10,T} """, kinetics = None, ) entry( index = 944, - label = "Od_CO-HH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_N-Sp-11R!H=10R!H_Ext-8R!H-R", group = """ -1 *2 CO u0 {2,D} {3,S} {4,S} -2 *1 O2d u0 {1,D} -3 H u0 {1,S} -4 H u0 {1,S} +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} {9,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 {3,S} {7,D} +7 C u0 {6,D} +8 C u0 r0 {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +9 C u0 {3,S} +10 C ux r0 {2,[S,D,T,B,Q]} {11,T} +11 C ux {10,T} +12 C u0 {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 945, - label = "Od_CO-NdH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_N-Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H", group = """ -1 *2 CO u0 {2,D} {3,S} {4,S} -2 *1 O2d u0 {1,D} -3 [Cs,O2s,S2s] u0 {1,S} -4 H u0 {1,S} +1 *1 C u0 r0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,T} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} {9,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {1,[S,D,T,B,Q]} {12,D} +9 C u0 r0 {3,S} +10 C ux r0 {2,[S,D,T,B,Q]} {11,T} +11 C ux {10,T} +12 C u0 r0 {8,D} """, kinetics = None, ) entry( index = 946, - label = "Od_CO-CsH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_N-Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H", group = """ -1 *2 CO u0 {2,D} {3,S} {4,S} -2 *1 O2d u0 {1,D} -3 Cs u0 {1,S} -4 H u0 {1,S} +1 *1 C u0 r0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,T} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} {9,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {1,[S,D,T,B,Q]} {12,[S,T,Q,B]} +9 C u0 r0 {3,S} +10 C ux r0 {2,[S,D,T,B,Q]} {11,T} +11 C ux {10,T} +12 C u0 r0 {8,[S,T,Q,B]} """, kinetics = None, ) entry( index = 947, - label = "Od_CO-NdNd", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H", group = """ -1 *2 CO u0 {2,D} {3,S} {4,S} -2 *1 O2d u0 {1,D} -3 [Cs,O2s,S2s] u0 {1,S} -4 [Cs,O2s,S2s] u0 {1,S} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 R!H ux r0 {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 948, - label = "Od_CO-CsCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H", group = """ -1 *2 CO u0 {2,D} {3,S} {4,S} -2 *1 O2d u0 {1,D} -3 Cs u0 {1,S} -4 Cs u0 {1,S} +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,S} +9 C ux {3,[S,D,T,B,Q]} +10 R!H ux r0 {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 949, - label = "Od_CO-DeH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R", group = """ -1 *2 CO u0 {2,D} {3,S} {4,S} -2 *1 O2d u0 {1,D} -3 [Cd,Ct,Cb,CO,CS] u0 {1,S} -4 H u0 {1,S} +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,S} +9 C ux {3,[S,D,T,B,Q]} +10 R!H ux r0 {2,[S,D,T,B,Q]} +11 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 950, - label = "Od_CO-CdH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R", group = """ -1 *2 CO u0 {2,D} {3,S} {4,S} -2 *1 O2d u0 {1,D} -3 Cd u0 {1,S} -4 H u0 {1,S} +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,S} {12,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 R!H ux r0 {2,[S,D,T,B,Q]} +11 R!H ux {2,[S,D,T,B,Q]} +12 C u0 {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 951, - label = "Od_CO-CtH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H", group = """ -1 *2 CO u0 {2,D} {3,S} {4,S} -2 *1 O2d u0 {1,D} -3 Ct u0 {1,S} -4 H u0 {1,S} +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,S} {12,D} +9 C ux {3,[S,D,T,B,Q]} +10 R!H ux r0 {2,[S,D,T,B,Q]} +11 R!H ux {2,[S,D,T,B,Q]} +12 C u0 r0 {8,D} """, kinetics = None, ) entry( index = 952, - label = "Od_CO-DeNd", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H", group = """ -1 *2 CO u0 {2,D} {3,S} {4,S} -2 *1 O2d u0 {1,D} -3 [Cd,Ct,Cb,CO,CS] u0 {1,S} -4 [Cs,O2s,S2s] u0 {1,S} +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,S} {12,[S,T,Q,B]} +9 C ux {3,[S,D,T,B,Q]} +10 R!H ux r0 {2,[S,D,T,B,Q]} +11 R!H ux {2,[S,D,T,B,Q]} +12 C u0 r0 {8,[S,T,Q,B]} """, kinetics = None, ) entry( index = 953, - label = "Od_CO-CdCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R", group = """ -1 *2 CO u0 {2,D} {3,S} {4,S} -2 *1 O2d u0 {1,D} -3 Cd u0 {1,S} -4 Cs u0 {1,S} +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,S} {11,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} +11 C ux {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 954, - label = "Od_CO-CtCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-11R!H=8R!H", group = """ -1 *2 CO u0 {2,D} {3,S} {4,S} -2 *1 O2d u0 {1,D} -3 Ct u0 {1,S} -4 Cs u0 {1,S} +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,S} {11,D} +9 C ux {3,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} +11 C ux {8,D} """, kinetics = None, ) entry( index = 955, - label = "Od_Cdd", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_Sp-10R!H-2R!H", group = """ -1 *2 C u0 {2,D} {3,D} -2 *1 O2d u0 {1,D} -3 R!H u0 {1,D} +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {10,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,S} {11,D} +9 C ux {3,[S,D,T,B,Q]} +10 C ux r0 {2,S} +11 C ux {8,D} """, kinetics = None, ) entry( index = 956, - label = "Od_Cdd-O2d", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-Sp-10R!H-2R!H", group = """ -1 *1 O2d u0 {2,D} -2 *2 C u0 {1,D} {3,D} -3 O u0 {2,D} +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {10,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,S} {11,D} +9 C ux {3,[S,D,T,B,Q]} +10 C ux r0 {2,D} +11 C ux {8,D} """, kinetics = None, ) entry( index = 957, - label = "Od_Nd", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H", group = """ -1 *1 O2d u0 {2,D} -2 *2 N u0 {1,D} +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,S} {11,[S,T,Q,B]} +9 C ux {3,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} +11 C ux {8,[S,T,Q,B]} """, kinetics = None, ) entry( index = 958, - label = "Od_N3d", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_Sp-10R!H-2R!H", group = """ -1 *1 O2d u0 {2,D} -2 *2 N3d u0 {1,D} +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {10,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,S} {11,[S,T,Q,B]} +9 C ux {3,[S,D,T,B,Q]} +10 C ux r0 {2,S} +11 C ux {8,[S,T,Q,B]} """, kinetics = None, ) entry( index = 959, - label = "Od_N5dc", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-Sp-10R!H-2R!H", group = """ -1 *1 O2d u0 {2,D} -2 *2 N5dc u0 {1,D} +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {10,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,S} {11,[S,T,Q,B]} +9 C ux {3,[S,D,T,B,Q]} +10 C ux r0 {2,D} +11 C ux {8,[S,T,Q,B]} """, kinetics = None, ) entry( index = 960, - label = "Nd_R", - group = "OR{N1dc_R, N3d_R}", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Sp-10R!H-2R!H", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {10,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,S} +9 C ux {3,[S,D,T,B,Q]} +10 C ux r0 {2,S} +""", kinetics = None, ) entry( index = 961, - label = "N1dc_R", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_N-Sp-10R!H-2R!H", group = """ -1 *1 N1dc u0 p2 {2,D} -2 *2 R!H u0 {1,D} +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {10,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,S} +9 C ux {3,[S,D,T,B,Q]} +10 C ux r0 {2,D} """, kinetics = None, ) entry( index = 962, - label = "N3d_R", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H", group = """ -1 *1 N3d u0 {2,D} -2 *2 R!H u0 {1,D} +1 *1 C u0 {2,D} {8,D} +2 *2 C u0 {1,D} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,D} +9 C ux {3,[S,D,T,B,Q]} +10 R!H ux r0 {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 963, - label = "N3d_Cd", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_Ext-2R!H-R", group = """ -1 *1 N3d u0 {2,D} -2 *2 [Cd,Cdd] u0 {1,D} +1 *1 C u0 {2,D} {8,D} +2 *2 C u0 {1,D} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,D} +9 C ux {3,[S,D,T,B,Q]} +10 R!H ux r0 {2,[S,D,T,B,Q]} +11 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 964, - label = "N3d_Cds", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_N-Sp-2R!H=1R!H", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 N3d u0 {1,D} -3 R u0 {1,S} -4 R u0 {1,S} +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 965, - label = "N3d-H_Cds", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 N3d u0 {1,D} {5,S} -3 R u0 {1,S} -4 R u0 {1,S} -5 H u0 {2,S} +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} +11 C u0 {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 966, - label = "N3d-H_Cds-HH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 N3d u0 {1,D} {5,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 H u0 {2,S} +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,D} +9 C ux {3,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} +11 C u0 r0 {8,D} """, kinetics = None, ) entry( index = 967, - label = "N3d-H_Cds-NonDeH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 N3d u0 {1,D} {5,S} -3 [Cs,O2s,S2s,N3s,N5sc] u0 {1,S} -4 H u0 {1,S} -5 H u0 {2,S} +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,[S,T,Q,B]} +9 C ux {3,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} +11 C u0 r0 {8,[S,T,Q,B]} """, kinetics = None, ) entry( index = 968, - label = "N3d-H_Cds-NonDe2", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Sp-2R!H=1R!H", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 N3d u0 {1,D} {5,S} -3 [Cs,O2s,S2s,N3s,N5sc] u0 {1,S} -4 [Cs,O2s,S2s,N3s,N5sc] u0 {1,S} -5 H u0 {2,S} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 R!H u0 {1,D} +3 *3 C u1 r0 {4,S} {6,S} {9,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 {3,S} {7,D} +7 C u0 {6,D} +8 R!H ux r0 {1,[S,D,T,B,Q]} +9 C u0 {3,S} """, kinetics = None, ) entry( index = 969, - label = "N3d-NonDe_Cds", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Sp-2R!H=1R!H_Sp-8R!H-1R!H", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 N3d u0 {1,D} {5,S} -3 R!H u0 {1,S} -4 R!H u0 {1,S} -5 [Cs,N3s,N5sc,O2s,S2s] u0 {2,S} +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} +3 *3 C u1 r0 {4,S} {6,S} {9,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 {3,S} {7,D} +7 C u0 {6,D} +8 C u0 r0 {1,S} +9 C u0 {3,S} """, kinetics = None, ) entry( index = 970, - label = "N3d-OneDe_Cds", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 N3d u0 {1,D} {5,S} -3 R!H u0 {1,S} -4 R!H u0 {1,S} -5 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} +3 *3 C u1 r0 {4,S} {6,S} {9,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 {3,S} {7,D} +7 C u0 {6,D} +8 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +9 C u0 {3,S} +10 C u0 {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 971, - label = "N3d_Cdd", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H", group = """ -1 *1 N3d u0 {2,D} -2 *2 Cdd u0 {1,D} +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,S} {6,S} {9,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {1,S} {10,D} +9 C u0 r0 {3,S} +10 C u0 r0 {8,D} """, kinetics = None, ) entry( index = 972, - label = "N3d_Od", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H", group = """ -1 *1 N3d u0 {2,D} -2 *2 O2d u0 {1,D} +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,S} {6,S} {9,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {1,S} {10,[S,T,Q,B]} +9 C u0 r0 {3,S} +10 C u0 r0 {8,[S,T,Q,B]} """, kinetics = None, ) entry( index = 973, - label = "N3d-H_Od", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H", group = """ -1 *1 N3d u0 {2,D} {3,S} -2 *2 O2d u0 {1,D} -3 H u0 {1,S} +1 *1 C u0 r0 {2,D} {8,D} +2 *2 R!H u0 {1,D} +3 *3 C u1 r0 {4,S} {6,S} {9,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} {7,D} +7 C u0 r0 {6,D} +8 R!H ux r0 {1,D} +9 C u0 r0 {3,S} """, kinetics = None, ) entry( index = 974, - label = "N3d-NonDe_Od", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_N-Sp-2R!H=1R!H", group = """ -1 *1 N3d u0 {2,D} {3,S} -2 *2 O2d u0 {1,D} -3 [Cs,N3s,O2s,S2s] u0 {1,S} +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 975, - label = "N3d-OneDe_Od", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_N-Sp-2R!H=1R!H_Ext-8R!H-R", group = """ -1 *1 N3d u0 {2,D} {3,S} -2 *2 O2d u0 {1,D} -3 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 C u0 {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 976, - label = "N3d_Nd", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-10R!H=8R!H", group = """ -1 *1 N3d u0 {2,D} -2 *2 N u0 {1,D} +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {10,D} +9 C ux {3,[S,D,T,B,Q]} +10 C u0 r0 {8,D} """, kinetics = None, ) entry( index = 977, - label = "N3d_N3d", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H", group = """ -1 *1 N3d u0 {2,D} -2 *2 N3d u0 {1,D} +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {10,[S,T,Q,B]} +9 C ux {3,[S,D,T,B,Q]} +10 C u0 r0 {8,[S,T,Q,B]} """, kinetics = None, ) entry( index = 978, - label = "N3d-H_N3d", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R", group = """ -1 *1 N3d u0 {2,D} {3,S} -2 *2 N3d u0 {1,D} -3 H u0 {1,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 979, - label = "N3d-H_N3d-H", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing", group = """ -1 *1 N3d u0 {2,D} {3,S} -2 *2 N3d u0 {1,D} {4,S} -3 H u0 {1,S} -4 H u0 {2,S} +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,S} +9 R!H ux r1 {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 980, - label = "N3d-H_N3d-NonDe", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R", group = """ -1 *1 N3d u0 {2,D} {3,S} -2 *2 N3d u0 {1,D} {4,S} -3 H u0 {1,S} -4 [Cs,N3s,O2s,S2s] u0 {2,S} +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,S} +9 R!H ux r1 {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 981, - label = "N3d-H_N3d-OneDe", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R", group = """ -1 *1 N3d u0 {2,D} {3,S} -2 *2 N3d u0 {1,D} {4,S} -3 H u0 {1,S} -4 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,S} {11,[S,D,T,B,Q]} +9 R!H ux r1 {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 C u0 {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 982, - label = "N3d-NonDe_N3d", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H", group = """ -1 *1 N3d u0 {2,D} {3,S} -2 *2 N3d u0 {1,D} -3 [Cs,N3s,O2s,S2s] u0 {1,S} +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,S} {11,D} +9 R!H ux r1 {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 C u0 r0 {8,D} """, kinetics = None, ) entry( index = 983, - label = "N3d-OneDe_N3d", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H", group = """ -1 *1 N3d u0 {2,D} {3,S} -2 *2 N3d u0 {1,D} -3 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,S} {11,[S,T,Q,B]} +9 R!H ux r1 {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 C u0 r0 {8,[S,T,Q,B]} """, kinetics = None, ) entry( index = 984, - label = "N3d_N5dc", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R", group = """ -1 *1 N3d u0 {2,D} -2 *2 [N5dc,N5tc] u0 {1,D} +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 {3,S} {7,D} +7 C u0 {6,D} +8 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +9 C u0 r1 {2,S} +10 C u0 {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 985, - label = "Nt_R", - group = "OR{N3t_R, N5t_R}", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_Sp-10R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {1,S} {10,D} +9 C u0 r1 {2,S} +10 C u0 r0 {8,D} +""", kinetics = None, ) entry( index = 986, - label = "N3t_R", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_N-Sp-10R!H=8R!H", group = """ -1 *1 N3t u0 {2,T} -2 *2 R!H u0 {1,T} +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {1,S} {10,[S,T,Q,B]} +9 C u0 r1 {2,S} +10 C u0 r0 {8,[S,T,Q,B]} """, kinetics = None, ) entry( index = 987, - label = "N3t_Ct", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing", group = """ -1 *1 N3t u0 {2,T} -2 *2 Ct u0 {1,T} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 R!H ux r0 {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 988, - label = "N3t_Ct-H", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R", group = """ -1 *2 Ct u0 {2,T} {3,S} -2 *1 N3t u0 {1,T} -3 H u0 {1,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 989, - label = "N3t_Ct-NonDe", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H", group = """ -1 *2 Ct u0 {2,T} {3,S} -2 *1 N3t u0 {1,T} -3 [Cs,N3s,N5sc,O2s,S2s] u0 {1,S} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 990, - label = "N3t_Ct-OneDe", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R", group = """ -1 *2 Ct u0 {2,T} {3,S} -2 *1 N3t u0 {1,T} -3 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 991, - label = "N3t_N3t", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R", group = """ -1 *1 N3t u0 {2,T} -2 *2 N3t u0 {1,T} +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 {3,S} {7,D} +7 C u0 {6,D} +8 C u0 r0 {1,S} +9 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +11 C u0 {2,S} {12,[S,D,T,B,Q]} +12 C ux {11,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 992, - label = "N5t_R", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R", group = """ -1 *1 N5tc u0 {2,T} -2 *2 R!H u0 {1,T} +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 {3,S} {7,D} +7 C u0 {6,D} +8 C u0 r0 {1,S} {13,[S,D,T,B,Q]} +9 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +11 C u0 {2,S} {12,[S,D,T,B,Q]} +12 C ux {11,[S,D,T,B,Q]} +13 C u0 {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 993, - label = "Sd_R", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H", group = """ -1 *1 S u0 {2,D} -2 *2 R!H u0 {1,D} +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {1,S} {13,D} +9 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +10 C u0 r0 {9,[S,D,T,B,Q]} +11 C u0 r0 {2,S} {12,[S,D,T,B,Q]} +12 C ux {11,[S,D,T,B,Q]} +13 C u0 r0 {8,D} """, kinetics = None, ) entry( index = 994, - label = "Sd_Cdd", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H", group = """ -1 *1 S2d u0 p2 {2,D} -2 *2 Cdd u0 {1,D} {3,D} -3 R!H u0 {2,D} +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {1,S} {13,[S,T,Q,B]} +9 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +10 C u0 r0 {9,[S,D,T,B,Q]} +11 C u0 r0 {2,S} {12,[S,D,T,B,Q]} +12 C ux {11,[S,D,T,B,Q]} +13 C u0 r0 {8,[S,T,Q,B]} """, kinetics = None, ) entry( index = 995, - label = "Sd_Cdd-S2d", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R", group = """ -1 *1 S2d u0 p2 {2,D} -2 *2 Cdd u0 {1,D} {3,D} -3 S2d u0 p2 {2,D} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} +12 C ux {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 996, - label = "Sd_Cd", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H", group = """ -1 *2 CS u0 {2,D} {3,S} {4,S} -2 *1 S2d u0 p2 {1,D} -3 R u0 {1,S} -4 R u0 {1,S} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,D} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} +12 C ux {8,D} """, kinetics = None, ) entry( index = 997, - label = "Sd_Cds-HH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_Sp-10R!H=9R!H", group = """ -1 *2 CS u0 {2,D} {3,S} {4,S} -2 *1 S2d u0 p2 {1,D} -3 H u0 {1,S} -4 H u0 {1,S} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,D} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +11 C ux {2,[S,D,T,B,Q]} +12 C ux {8,D} """, kinetics = None, ) entry( index = 998, - label = "Sd_Cds-CsH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_N-Sp-10R!H=9R!H", group = """ -1 *2 CS u0 {2,D} {3,S} {4,S} -2 *1 S2d u0 p2 {1,D} -3 Cs u0 {1,S} -4 H u0 {1,S} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,D} +9 C ux r0 {2,[S,D,T,B,Q]} {10,T} +10 C ux {9,T} +11 C ux {2,[S,D,T,B,Q]} +12 C ux {8,D} """, kinetics = None, ) entry( index = 999, - label = "Sd_Cds-OsH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H", group = """ -1 *2 CS u0 {2,D} {3,S} {4,S} -2 *1 S2d u0 p2 {1,D} -3 O2s u0 {1,S} -4 H u0 {1,S} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,[S,T,Q,B]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} +12 C ux {8,[S,T,Q,B]} """, kinetics = None, ) entry( index = 1000, - label = "Sd_Cds-OsCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_Sp-10R!H=9R!H", group = """ -1 *2 CS u0 {2,D} {3,S} {4,S} -2 *1 S2d u0 p2 {1,D} -3 O2s u0 {1,S} -4 Cs u0 {1,S} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,[S,T,Q,B]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +11 C ux {2,[S,D,T,B,Q]} +12 C ux {8,[S,T,Q,B]} """, kinetics = None, ) entry( index = 1001, - label = "Sd_Cds-CsCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_N-Sp-10R!H=9R!H", group = """ -1 *2 CS u0 {2,D} {3,S} {4,S} -2 *1 S2d u0 p2 {1,D} -3 Cs u0 {1,S} -4 Cs u0 {1,S} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,[S,T,Q,B]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,T} +10 C ux {9,T} +11 C ux {2,[S,D,T,B,Q]} +12 C ux {8,[S,T,Q,B]} """, kinetics = None, ) entry( index = 1002, - label = "Sd_Cds-OneDeH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-10R!H=9R!H", group = """ -1 *2 CS u0 {2,D} {3,S} {4,S} -2 *1 S2d u0 p2 {1,D} -3 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -4 H u0 {1,S} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +11 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1003, - label = "Sd_Cds-CtH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-10R!H=9R!H", group = """ -1 *2 CS u0 {2,D} {3,S} {4,S} -2 *1 S2d u0 p2 {1,D} -3 Ct u0 {1,S} -4 H u0 {1,S} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,T} +10 C ux {9,T} +11 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1004, - label = "Sd_Cds-CbH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R", group = """ -1 *2 CS u0 {2,D} {3,S} {4,S} -2 *1 S2d u0 p2 {1,D} -3 Cb u0 {1,S} -4 H u0 {1,S} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1005, - label = "Sd_Cds-COH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H", group = """ -1 *2 CS u0 {2,D} {3,S} {4,S} -2 *1 S2d u0 p2 {1,D} -3 CO u0 {1,S} -4 H u0 {1,S} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,D} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {8,D} """, kinetics = None, ) entry( index = 1006, - label = "Sd_Cds-CdH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_Sp-10R!H=9R!H", group = """ -1 *2 CS u0 {2,S} {3,D} {4,S} -2 Cd u0 {1,S} {5,D} -3 *1 S2d u0 p2 {1,D} -4 H u0 {1,S} -5 C u0 {2,D} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,D} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +11 C ux {8,D} """, kinetics = None, ) entry( index = 1007, - label = "Sd_Cds-C=SH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-Sp-10R!H=9R!H", group = """ -1 *2 CS u0 {2,D} {3,S} {4,S} -2 *1 S2d u0 p2 {1,D} -3 CS u0 {1,S} -4 H u0 {1,S} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,D} +9 C ux r0 {2,[S,D,T,B,Q]} {10,T} +10 C ux {9,T} +11 C ux {8,D} """, kinetics = None, ) entry( index = 1008, - label = "Sd_Cds-OneDeCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H", group = """ -1 *2 CS u0 {2,D} {3,S} {4,S} -2 *1 S2d u0 p2 {1,D} -3 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -4 Cs u0 {1,S} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,[S,T,Q,B]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {8,[S,T,Q,B]} """, kinetics = None, ) entry( index = 1009, - label = "Sd_Cds-CtCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_Sp-10R!H=9R!H", group = """ -1 *2 CS u0 {2,D} {3,S} {4,S} -2 *1 S2d u0 p2 {1,D} -3 Ct u0 {1,S} -4 Cs u0 {1,S} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,[S,T,Q,B]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +11 C ux {8,[S,T,Q,B]} """, kinetics = None, ) entry( index = 1010, - label = "Sd_Cds-CbCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-Sp-10R!H=9R!H", group = """ -1 *2 CS u0 {2,D} {3,S} {4,S} -2 *1 S2d u0 p2 {1,D} -3 Cb u0 {1,S} -4 Cs u0 {1,S} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,[S,T,Q,B]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,T} +10 C ux {9,T} +11 C ux {8,[S,T,Q,B]} """, kinetics = None, ) entry( index = 1011, - label = "Sd_Cds-COCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Sp-10R!H=9R!H", group = """ -1 *2 CS u0 {2,D} {3,S} {4,S} -2 *1 S2d u0 p2 {1,D} -3 CO u0 {1,S} -4 Cs u0 {1,S} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} """, kinetics = None, ) entry( index = 1012, - label = "Sd_Cds-CdCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_N-Sp-10R!H=9R!H", group = """ -1 *2 CS u0 {2,S} {3,D} {4,S} -2 Cd u0 {1,S} {5,D} -3 *1 S2d u0 p2 {1,D} -4 Cs u0 {1,S} -5 C u0 {2,D} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,T} +10 C ux {9,T} """, kinetics = None, ) entry( index = 1013, - label = "Sd_Cds-C=SCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H", group = """ -1 *2 CS u0 {2,D} {3,S} {4,S} -2 *1 S2d u0 p2 {1,D} -3 CS u0 {1,S} -4 Cs u0 {1,S} +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1014, - label = "Sd_Cds-TwoDe", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H", group = """ -1 *2 CS u0 {2,D} {3,S} {4,S} -2 *1 S2d u0 p2 {1,D} -3 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -4 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} """, kinetics = None, ) entry( index = 1015, - label = "Sd_Cds-CtCt", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R", group = """ -1 *1 S2d u0 p2 {2,D} -2 *2 CS u0 {1,D} {3,S} {4,S} -3 Ct u0 {2,S} -4 Ct u0 {2,S} +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +11 C u0 {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1016, - label = "Sd_Cds-CtCb", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H", group = """ -1 *1 S2d u0 p2 {2,D} -2 *2 CS u0 {1,D} {3,S} {4,S} -3 Ct u0 {2,S} -4 Cb u0 {2,S} +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,D} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +11 C u0 r0 {8,D} """, kinetics = None, ) entry( index = 1017, - label = "Sd_Cds-CtCO", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H", group = """ -1 *1 S2d u0 p2 {2,D} -2 *2 CS u0 {1,D} {3,S} {4,S} -3 Ct u0 {2,S} -4 CO u0 {2,S} +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,[S,T,Q,B]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +11 C u0 r0 {8,[S,T,Q,B]} """, kinetics = None, ) entry( index = 1018, - label = "Sd_Cds-CbCb", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H", group = """ -1 *1 S2d u0 p2 {2,D} -2 *2 CS u0 {1,D} {3,S} {4,S} -3 Cb u0 {2,S} -4 Cb u0 {2,S} +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,T} +10 C ux {9,T} """, kinetics = None, ) entry( index = 1019, - label = "Sd_Cds-CbCO", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R", group = """ -1 *1 S2d u0 p2 {2,D} -2 *2 CS u0 {1,D} {3,S} {4,S} -3 Cb u0 {2,S} -4 CO u0 {2,S} +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,T} +10 C ux {9,T} +11 C u0 {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1020, - label = "Sd_Cds-COCO", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H", group = """ -1 *1 S2d u0 p2 {2,D} -2 *2 CS u0 {1,D} {3,S} {4,S} -3 CO u0 {2,S} -4 CO u0 {2,S} +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,D} +9 C ux r0 {2,[S,D,T,B,Q]} {10,T} +10 C ux {9,T} +11 C u0 r0 {8,D} """, kinetics = None, ) entry( index = 1021, - label = "Sd_Cds-CdCt", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H", group = """ -1 *1 S2d u0 p2 {2,D} -2 *2 CS u0 {1,D} {3,S} {4,S} -3 Cd u0 {2,S} {5,D} -4 Ct u0 {2,S} -5 C u0 {3,D} +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,[S,T,Q,B]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,T} +10 C ux {9,T} +11 C u0 r0 {8,[S,T,Q,B]} """, kinetics = None, ) entry( index = 1022, - label = "Sd_Cds-CdCb", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H", group = """ -1 *1 S2d u0 p2 {2,D} -2 *2 CS u0 {1,D} {3,S} {4,S} -3 Cd u0 {2,S} {5,D} -4 Cb u0 {2,S} -5 C u0 {3,D} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 R!H ux r0 {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1023, - label = "Sd_Cds-CdCO", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H", group = """ -1 *1 S2d u0 p2 {2,D} -2 *2 CS u0 {1,D} {3,S} {4,S} -3 Cd u0 {2,S} {5,D} -4 CO u0 {2,S} -5 C u0 {3,D} +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,S} +9 R!H ux r0 {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1024, - label = "Sd_Cds-CtC=S", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R", group = """ -1 *1 S2d u0 p2 {2,D} -2 *2 CS u0 {1,D} {3,S} {4,S} -3 Ct u0 {2,S} -4 CS u0 {2,S} +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,S} +9 R!H ux r0 {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1025, - label = "Sd_Cds-CbC=S", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R", group = """ -1 *1 S2d u0 p2 {2,D} -2 *2 CS u0 {1,D} {3,S} {4,S} -3 Cb u0 {2,S} -4 CS u0 {2,S} +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,S} {11,[S,D,T,B,Q]} +9 R!H ux r0 {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 C u0 {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1026, - label = "Sd_Cds-COC=S", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H", group = """ -1 *1 S2d u0 p2 {2,D} -2 *2 CS u0 {1,D} {3,S} {4,S} -3 CO u0 {2,S} -4 CS u0 {2,S} +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,S} {11,D} +9 R!H ux r0 {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 C u0 r0 {8,D} """, kinetics = None, ) entry( index = 1027, - label = "Sd_Cds-CdCd", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H", group = """ -1 *1 S2d u0 p2 {2,D} -2 *2 CS u0 {1,D} {3,S} {4,S} -3 Cd u0 {2,S} {5,D} -4 Cd u0 {2,S} {6,D} -5 C u0 {3,D} -6 C u0 {4,D} +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,S} {11,[S,T,Q,B]} +9 R!H ux r0 {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 C u0 r0 {8,[S,T,Q,B]} """, kinetics = None, ) entry( index = 1028, - label = "Sd_Cds-CdC=S", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R", group = """ -1 *1 S2d u0 p2 {2,D} -2 *2 CS u0 {1,D} {3,S} {4,S} -3 Cd u0 {2,S} {5,D} -4 CS u0 {2,S} -5 C u0 {3,D} +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,S} {10,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} +10 C ux {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1029, - label = "Sd_Cds-C=SC=S", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H", group = """ -1 *1 S2d u0 p2 {2,D} -2 *2 CS u0 {1,D} {3,S} {4,S} -3 CS u0 {2,S} -4 CS u0 {2,S} +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,S} {10,D} +9 C ux r0 {2,[S,D,T,B,Q]} +10 C ux {8,D} """, kinetics = None, ) entry( index = 1030, - label = "HJ", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_Sp-9R!H-2R!H", group = """ -1 *3 H u1 +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,S} {10,D} +9 C ux r0 {2,S} +10 C ux {8,D} """, kinetics = None, ) entry( index = 1031, - label = "Y_1centerquadrad", - group = "OR{C_quintet, C_triplet}", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_N-Sp-9R!H-2R!H", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,S} {10,D} +9 C ux r0 {2,D} +10 C ux {8,D} +""", kinetics = None, ) entry( index = 1032, - label = "C_quintet", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H", group = """ -1 *3 C u4 p0 +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,S} {10,[S,T,Q,B]} +9 C ux r0 {2,[S,D,T,B,Q]} +10 C ux {8,[S,T,Q,B]} """, kinetics = None, ) entry( index = 1033, - label = "C_triplet", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_Sp-9R!H-2R!H", group = """ -1 *3 C u2 p1 +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,S} {10,[S,T,Q,B]} +9 C ux r0 {2,S} +10 C ux {8,[S,T,Q,B]} """, kinetics = None, ) entry( index = 1034, - label = "Y_1centertrirad", - group = "OR{N_atom_quartet, N_atom_doublet, CH_quartet, CH_doublet}", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_N-Sp-9R!H-2R!H", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,S} {10,[S,T,Q,B]} +9 C ux r0 {2,D} +10 C ux {8,[S,T,Q,B]} +""", kinetics = None, ) entry( index = 1035, - label = "N_atom_quartet", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Sp-9R!H-2R!H", group = """ -1 *3 N u3 p1 +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,S} +9 C ux r0 {2,S} """, kinetics = None, ) entry( index = 1036, - label = "N_atom_doublet", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_N-Sp-9R!H-2R!H", group = """ -1 *3 N u1 p2 +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,S} +9 C ux r0 {2,D} """, kinetics = None, ) entry( index = 1037, - label = "CH_quartet", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H", group = """ -1 *3 Cs u3 p0 {2,S} -2 H u0 {1,S} +1 *1 C u0 {2,D} {8,D} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,D} +9 R!H ux r0 {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1038, - label = "CH_doublet", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_Ext-2R!H-R", group = """ -1 *3 C u1 p1 {2,S} -2 H u0 {1,S} +1 *1 C u0 {2,D} {8,D} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,D} +9 R!H ux r0 {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1039, - label = "Y_1centerbirad", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H", group = """ -1 *3 R!H u2 +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1040, - label = "O_atom_triplet", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R", group = """ -1 *3 O u2 +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} +10 C u0 {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1041, - label = "SJJ", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-10R!H=8R!H", group = """ -1 *3 S u2 +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {10,D} +9 C ux r0 {2,[S,D,T,B,Q]} +10 C u0 r0 {8,D} """, kinetics = None, ) entry( index = 1042, - label = "CH2_triplet", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H", group = """ -1 *3 C u2 {2,S} {3,S} -2 H u0 {1,S} -3 H u0 {1,S} +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {10,[S,T,Q,B]} +9 C ux r0 {2,[S,D,T,B,Q]} +10 C u0 r0 {8,[S,T,Q,B]} """, kinetics = None, ) entry( index = 1043, - label = "CO_birad", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H", group = """ -1 *3 C u2 {2,D} -2 O2d u0 {1,D} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 R!H u0 {1,D} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 {3,S} {7,D} +7 C u0 {6,D} +8 R!H ux r0 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1044, - label = "NH_triplet", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H", group = """ -1 *3 N3s u2 {2,S} -2 H u0 {1,S} +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 {3,S} {7,D} +7 C u0 {6,D} +8 C u0 r0 {1,S} """, kinetics = None, ) entry( index = 1045, - label = "CJ", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R", group = """ -1 *3 C u1 p0 +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 {3,S} {7,D} +7 C u0 {6,D} +8 C u0 r0 {1,S} {9,[S,D,T,B,Q]} +9 C u0 {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1046, - label = "CbJ", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-9R!H=8R!H", group = """ -1 *3 Cb u1 p0 +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {1,S} {9,D} +9 C u0 r0 {8,D} """, kinetics = None, ) entry( index = 1047, - label = "CtJ", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H", group = """ -1 *3 Ct u1 p0 {2,T} -2 R!H u0 {1,T} +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {1,S} {9,[S,T,Q,B]} +9 C u0 r0 {8,[S,T,Q,B]} """, kinetics = None, ) entry( index = 1048, - label = "CtJ_Ct", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H", group = """ -1 *3 Ct u1 p0 {2,T} -2 Ct u0 {1,T} +1 *1 C u0 r0 {2,D} {8,D} +2 *2 R!H u0 {1,D} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} {7,D} +7 C u0 r0 {6,D} +8 R!H ux r0 {1,D} """, kinetics = None, ) entry( index = 1049, - label = "CtJ_N3t", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H", group = """ -1 *3 Ct u1 p0 {2,T} -2 N3t u0 {1,T} +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1050, - label = "C2b", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R", group = """ -1 *3 C u1 p0 {2,T} -2 C u1 {1,T} +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C u0 {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1051, - label = "C=SJ", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-9R!H=8R!H", group = """ -1 *3 CS u1 p0 {2,S} -2 R u0 {1,S} +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {9,D} +9 C u0 r0 {8,D} """, kinetics = None, ) entry( index = 1052, - label = "C=SJ-H", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H", group = """ -1 *3 CS u1 p0 {2,S} -2 H u0 {1,S} +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {9,[S,T,Q,B]} +9 C u0 r0 {8,[S,T,Q,B]} """, kinetics = None, ) entry( index = 1053, - label = "C=SJ-Cs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R", group = """ -1 *3 CS u1 p0 {2,S} -2 Cs u0 {1,S} +1 *1 R!H u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1054, - label = "C=SJ-Ct", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R", group = """ -1 *3 CS u1 p0 {2,S} -2 Ct u0 {1,S} +1 *1 R!H u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {3,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1055, - label = "C=SJ-Cb", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R", group = """ -1 *3 CS u1 p0 {2,S} -2 Cb u0 {1,S} +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {3,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1056, - label = "C=SJ-CO", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing", group = """ -1 *3 CS u1 p0 {2,S} -2 CO u0 {1,S} +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {3,[S,D,T,B,Q]} +9 C u0 r1 {2,[S,D,T,B,Q]} {10,B} +10 C ux {9,B} """, kinetics = None, ) entry( index = 1057, - label = "C=SJ-O2s", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R", group = """ -1 *3 CS u1 p0 {2,S} -2 O2s u0 {1,S} +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {3,[S,D,T,B,Q]} +9 C u0 r1 {2,[S,D,T,B,Q]} {10,B} +10 C ux r1 {9,B} +11 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1058, - label = "C=SJ-S2s", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing", group = """ -1 *3 CS u1 p0 {2,S} -2 S2s u0 {1,S} +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {3,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1059, - label = "C=SJ-Cd", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H", group = """ -1 *3 CS u1 p0 {2,S} -2 Cd u0 {1,S} {3,D} -3 C u0 {2,D} +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {3,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1060, - label = "C=SJ-C=S", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R", group = """ -1 *3 CS u1 p0 {2,S} -2 CS u0 {1,S} +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {3,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1061, - label = "CO_rad", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R", group = """ -1 *3 C u1 p0 {2,D} {3,S} -2 O u0 {1,D} -3 R u0 {1,S} +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {11,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {3,[S,D,T,B,Q]} +9 C u0 r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux r0 {9,[S,D,T,B,Q]} +11 C u0 r0 {2,S} {12,[S,D,T,B,Q]} +12 R!H ux {11,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1062, - label = "CO_pri_rad", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-10R!H=9R!H", group = """ -1 *3 C u1 p0 {2,D} {3,S} -2 O u0 {1,D} -3 H u0 {1,S} +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {3,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +11 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1063, - label = "CO_sec_rad", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-10R!H=9R!H", group = """ -1 *3 C u1 p0 {2,D} {3,S} -2 O u0 {1,D} -3 R!H u0 {1,S} +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {3,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,T} +10 C ux {9,T} +11 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1064, - label = "CO_rad/NonDe", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-10R!H=9R!H", group = """ -1 *3 C u1 p0 {2,D} {3,S} -2 O u0 {1,D} -3 [Cs,S2s,N3s,N5sc,O2s] u0 {1,S} +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {3,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} """, kinetics = None, ) entry( index = 1065, - label = "CO_rad/OneDe", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-10R!H=9R!H", group = """ -1 *3 C u1 p0 {2,D} {3,S} -2 O u0 {1,D} -3 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {3,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,T} +10 C ux {9,T} """, kinetics = None, ) entry( index = 1066, - label = "CsJ", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 R u0 {1,S} -3 R u0 {1,S} -4 R u0 {1,S} +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} {9,S} +3 *3 C u1 r0 {4,S} {6,S} {8,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 {3,S} {7,D} +7 C u0 {6,D} +8 C u0 {3,S} +9 C ux r0 {2,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1067, - label = "CsJ-HHH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 H u0 {1,S} -3 H u0 {1,S} -4 H u0 {1,S} +1 *1 C u0 r0 {2,T} +2 *2 C u0 r0 {1,T} {9,S} +3 *3 C u1 r0 {4,S} {6,S} {8,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {3,S} +9 C ux r0 {2,S} {10,D} +10 C u0 {9,D} """, kinetics = None, ) entry( index = 1068, - label = "CsJ-CsHH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 Cs u0 {1,S} -3 H u0 {1,S} -4 H u0 {1,S} +1 *1 C u0 r0 {2,T} +2 *2 C u0 r0 {1,T} {9,S} +3 *3 C u1 r0 {4,S} {6,S} {8,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {3,S} +9 C ux r0 {2,S} {10,T} +10 C u0 {9,T} """, kinetics = None, ) entry( index = 1069, - label = "CsJ-CsCsH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-2R!H=1R!H", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 Cs u0 {1,S} -3 Cs u0 {1,S} -4 H u0 {1,S} +1 *1 R!H u0 {2,D} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {3,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1070, - label = "CsJ-CsCsCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 Cs u0 {1,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} {8,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {3,S} +9 R!H ux {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1071, - label = "CsJ-OsHH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-2R!H=1R!H_Sp-9R!H-2R!H", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 O2s u0 {1,S} -3 H u0 {1,S} -4 H u0 {1,S} +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {9,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {3,[S,D,T,B,Q]} +9 C ux {2,S} """, kinetics = None, ) entry( index = 1072, - label = "CsJ-OsCsH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-2R!H=1R!H_N-Sp-9R!H-2R!H", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 O2s u0 {1,S} -3 Cs u0 {1,S} -4 H u0 {1,S} +1 *1 R!H u0 {2,D} +2 *2 C u0 {1,D} {9,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {3,[S,D,T,B,Q]} +9 R!H ux {2,D} """, kinetics = None, ) entry( index = 1073, - label = "CsJ-OsCsCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_N-Sp-2R!H=1R!H", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 O2s u0 {1,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {3,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1074, - label = "CsJ-OsOsH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Sp-2R!H=1R!H", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 O2s u0 {1,S} -3 O2s u0 {1,S} -4 H u0 {1,S} +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1075, - label = "CsJ-OsOsCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_N-Sp-2R!H=1R!H", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 O2s u0 {1,S} -3 O2s u0 {1,S} -4 Cs u0 {1,S} +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1076, - label = "CsJ-OsOsOs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Sp-5R!H#4R!H", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 O2s u0 {1,S} -3 O2s u0 {1,S} -4 O2s u0 {1,S} +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} +4 C u0 {3,S} {5,T} +5 C u0 {4,T} +6 C u0 {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C u0 {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1077, - label = "CsJ-SsHH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Sp-5R!H#4R!H_Sp-6R!H-3R", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 S2s u0 {1,S} -3 H u0 {1,S} -4 H u0 {1,S} +1 *1 C u0 r0 {2,T} +2 *2 C u0 r0 {1,T} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 C u0 r0 {3,S} {7,[S,D,T,B,Q]} +7 C u0 r0 {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1078, - label = "CsJ-SsCsH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Sp-5R!H#4R!H_N-Sp-6R!H-3R", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 S2s u0 {1,S} -3 Cs u0 {1,S} -4 H u0 {1,S} +1 *1 C u0 r0 {2,T} +2 *2 C u0 r0 {1,T} +3 *3 C u1 r0 {4,S} {6,D} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 C u0 r0 {3,D} {7,[S,D,T,B,Q]} +7 C u0 r0 {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1079, - label = "CsJ-SsCsCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 S2s u0 {1,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} +1 *1 R!H u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1080, - label = "CsJ-SsSsH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 S2s u0 {1,S} -3 S2s u0 {1,S} -4 H u0 {1,S} +1 *1 R!H u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1081, - label = "CsJ-SsSsCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 S2s u0 {1,S} -3 S2s u0 {1,S} -4 Cs u0 {1,S} +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1082, - label = "CsJ-SsSsSs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 S2s u0 {1,S} -3 S2s u0 {1,S} -4 S2s u0 {1,S} +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C u0 r1 {2,[S,D,T,B,Q]} {9,B} +9 C ux {8,B} """, kinetics = None, ) entry( index = 1083, - label = "CsJ-NsHH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 H u0 {1,S} -3 H u0 {1,S} -4 [N3s,N5sc] u0 {1,S} +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C u0 r1 {2,[S,D,T,B,Q]} {9,B} +9 C ux r1 {8,B} +10 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1084, - label = "CsJ-NsCsH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 H u0 {1,S} -3 [N3s,N5sc] u0 {1,S} -4 Cs u0 {1,S} +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1085, - label = "CsJ-OneDe", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -3 [H,Cs,O2s,S2s,N3s,N5sc] u0 {1,S} -4 [H,Cs,O2s,S2s,N3s,N5sc] u0 {1,S} +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1086, - label = "CsJ-OneDeHH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -3 H u0 {1,S} -4 H u0 {1,S} +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1087, - label = "CsJ-CtHH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-10R!H-R", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 Ct u0 {1,S} -3 H u0 {1,S} -4 H u0 {1,S} +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {10,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C u0 r0 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r0 {8,[S,D,T,B,Q]} +10 C u0 r0 {2,S} {11,[S,D,T,B,Q]} +11 R!H ux {10,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1088, - label = "CsJ-CbHH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-9R!H=8R!H", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 Cb u0 {1,S} -3 H u0 {1,S} -4 H u0 {1,S} +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,D} +9 C ux {8,D} +10 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1089, - label = "CsJ-COHH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-9R!H=8R!H", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 CO u0 {1,S} -3 H u0 {1,S} -4 H u0 {1,S} +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,T} +9 C ux {8,T} +10 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1090, - label = "CsJ-CdHH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Sp-9R!H=8R!H", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 Cd u0 {1,S} {5,D} -3 H u0 {1,S} -4 H u0 {1,S} -5 C u0 {2,D} +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,D} +9 C ux {8,D} """, kinetics = None, ) entry( index = 1091, - label = "CsJ-(CdC)HH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_N-Sp-9R!H=8R!H", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 Cd u0 {1,S} {5,D} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 C u0 {2,D} -6 C u0 {2,S} +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,T} +9 C ux {8,T} """, kinetics = None, ) entry( index = 1092, - label = "CsJ-C=SHH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 CS u0 {1,S} -3 H u0 {1,S} -4 H u0 {1,S} +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} {8,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 {3,S} {7,D} +7 C u0 {6,D} +8 C ux r0 {2,S} {9,[S,D,T,B,Q]} +9 C u0 {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1093, - label = "CsJ-OneDeCsH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Sp-9R!H=8R!H", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -3 Cs u0 {1,S} -4 H u0 {1,S} +1 *1 C u0 r0 {2,T} +2 *2 C u0 r0 {1,T} {8,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} {7,D} +7 C u0 r0 {6,D} +8 C ux r0 {2,S} {9,D} +9 C u0 {8,D} """, kinetics = None, ) entry( index = 1094, - label = "CsJ-CtCsH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-9R!H=8R!H", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 Ct u0 {1,S} -3 Cs u0 {1,S} -4 H u0 {1,S} +1 *1 C u0 r0 {2,T} +2 *2 C u0 r0 {1,T} {8,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} {7,D} +7 C u0 r0 {6,D} +8 C ux r0 {2,S} {9,T} +9 C u0 {8,T} """, kinetics = None, ) entry( index = 1095, - label = "CsJ-CbCsH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Sp-2R!H=1R!H", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 Cb u0 {1,S} -3 Cs u0 {1,S} -4 H u0 {1,S} +1 *1 R!H u0 {2,D} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1096, - label = "CsJ-COCsH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 CO u0 {1,S} -3 Cs u0 {1,S} -4 H u0 {1,S} +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} {7,D} +7 C u0 r0 {6,D} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1097, - label = "CsJ-CdCsH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_Sp-8R!H-2R!H", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 Cd u0 {1,S} {5,D} -3 Cs u0 {1,S} -4 H u0 {1,S} -5 C u0 {2,D} +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {8,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {2,S} """, kinetics = None, ) entry( index = 1098, - label = "CsJ-C=SCsH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_N-Sp-8R!H-2R!H", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 CS u0 {1,S} -3 Cs u0 {1,S} -4 H u0 {1,S} +1 *1 R!H u0 {2,D} +2 *2 C u0 {1,D} {8,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux {2,D} """, kinetics = None, ) entry( index = 1099, - label = "CsJ-OneDeOsH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_N-Sp-2R!H=1R!H", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -3 O2s u0 {1,S} -4 H u0 {1,S} +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1100, - label = "CsJ-OneDeSsH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Sp-2R!H=1R!H", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -3 S2s u0 {1,S} -4 H u0 {1,S} +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1101, - label = "CsJ-OneDeCsCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_N-Sp-2R!H=1R!H", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1102, - label = "CsJ-CtCsCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 Ct u0 {1,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} +1 *1 R!H u0 {2,[D,T,B]} +2 *2 R!H u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1103, - label = "CsJ-CbCsCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 Cb u0 {1,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 R!H u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1104, - label = "CsJ-COCsCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 CO u0 {1,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1105, - label = "CsJ-CdCsCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 Cd u0 {1,S} {5,D} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 C u0 {2,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1106, - label = "CsJ-C=SCsCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 CS u0 {1,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1107, - label = "CsJ-OneDeOsCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -3 O2s u0 {1,S} -4 Cs u0 {1,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1108, - label = "CsJ-OneDeSsCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -3 S2s u0 {1,S} -4 Cs u0 {1,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux r1 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1109, - label = "CsJ-OneDeOsOs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -3 O2s u0 {1,S} -4 O2s u0 {1,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,S} {11,S} +3 *3 C u[1,2,3,4] r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux r1 {2,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +11 C u0 {2,S} """, kinetics = None, ) entry( index = 1110, - label = "CsJ-OneDeOsSs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -3 O2s u0 {1,S} -4 S2s u0 {1,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,S} {11,S} +3 *3 C u[1,2,3,4] r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,S} {5,D} +5 C ux r0 {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux r1 {2,S} {10,[S,D,T,B,Q]} +10 C u0 r1 {9,[S,D,T,B,Q]} +11 C u0 r0 {2,S} +12 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1111, - label = "CsJ-OneDeSsSs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-1R!H-R", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -3 S2s u0 {1,S} -4 S2s u0 {1,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux r1 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux r1 {9,[S,D,T,B,Q]} +11 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1112, - label = "CsJ-OneDeNsH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 H u0 {1,S} -3 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -4 [N3s,N5sc] u0 {1,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1113, - label = "CsJ-OneDeNsCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -3 Cs u0 {1,S} -4 [N3s,N5sc] u0 {1,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1114, - label = "CsJ-TwoDe", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -3 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -4 [H,Cs,O2s,S2s] u0 {1,S} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,[S,D,T,B,Q]} {5,D} +5 C u0 {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C u0 r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +11 C ux {2,[S,D,T,B,Q]} {12,D} +12 C u0 {11,D} """, kinetics = None, ) entry( index = 1115, - label = "CsJ-TwoDeH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -3 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -4 H u0 {1,S} +1 *1 C u0 r0 {2,D} {8,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,[S,D,T,B,Q]} {5,D} +5 C u0 {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C u0 r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux r0 {9,D} +11 C ux {2,[S,D,T,B,Q]} {12,D} +12 C u0 r0 {11,D} +13 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1116, - label = "CsJ-CtCtH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 Ct u0 {1,S} -3 Ct u0 {1,S} -4 H u0 {1,S} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +11 C u0 {2,S} +12 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1117, - label = "CsJ-CtCbH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-10R!H=9R!H", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 Ct u0 {1,S} -3 Cb u0 {1,S} -4 H u0 {1,S} +1 *1 C u0 r0 {2,D} {8,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C u0 r0 {2,S} {10,D} +10 C u0 r0 {9,D} +11 C u0 r0 {2,S} +12 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1118, - label = "CsJ-CtCOH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-10R!H=9R!H", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 Ct u0 {1,S} -3 CO u0 {1,S} -4 H u0 {1,S} +1 *1 C u0 r0 {2,D} {8,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C u0 r0 {2,S} {10,T} +10 C u0 r0 {9,T} +11 C u0 r0 {2,S} +12 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1119, - label = "CsJ-CbCbH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Sp-10R!H=9R!H", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 Cb u0 {1,S} -3 Cb u0 {1,S} -4 H u0 {1,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r1 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +11 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1120, - label = "CsJ-CbCOH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-Sp-10R!H=9R!H", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 Cb u0 {1,S} -3 CO u0 {1,S} -4 H u0 {1,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r1 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,T} +10 C ux {9,T} +11 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1121, - label = "CsJ-COCOH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 CO u0 {1,S} -3 CO u0 {1,S} -4 H u0 {1,S} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +11 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1122, - label = "CsJ-CdCtH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_Sp-10R!H=9R!H", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 Cd u0 {1,S} {5,D} -3 Ct u0 {1,S} -4 H u0 {1,S} -5 C u0 {2,D} +1 *1 C u0 r0 {2,D} {8,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C u0 r0 {2,S} {10,D} +10 C u0 r0 {9,D} +11 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1123, - label = "CsJ-CdCbH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_N-Sp-10R!H=9R!H", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 Cd u0 {1,S} {5,D} -3 Cb u0 {1,S} -4 H u0 {1,S} -5 C u0 {2,D} +1 *1 C u0 r0 {2,D} {8,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C u0 r0 {2,S} {10,T} +10 C u0 r0 {9,T} +11 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1124, - label = "CsJ-CdCOH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 Cd u0 {1,S} {5,D} -3 CO u0 {1,S} -4 H u0 {1,S} -5 C u0 {2,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r1 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} """, kinetics = None, ) entry( index = 1125, - label = "CsJ-CtC=SH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 Ct u0 {1,S} -3 CS u0 {1,S} -4 H u0 {1,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r1 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,T} +10 C ux {9,T} """, kinetics = None, ) entry( index = 1126, - label = "CsJ-CbC=SH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 Cb u0 {1,S} -3 CS u0 {1,S} -4 H u0 {1,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1127, - label = "CsJ-COC=SH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 CO u0 {1,S} -3 CS u0 {1,S} -4 H u0 {1,S} +1 *1 C u0 r0 {2,D} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +11 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1128, - label = "CsJ-CdCdH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-9R!H-2R!H", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 Cd u0 {1,S} {5,D} -3 Cd u0 {1,S} {6,D} -4 H u0 {1,S} -5 C u0 {2,D} -6 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux {2,S} +10 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1129, - label = "CsJ-CdC=SH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-Sp-9R!H-2R!H", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 Cd u0 {1,S} {5,D} -3 CS u0 {1,S} -4 H u0 {1,S} -5 C u0 {2,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux {2,D} +10 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1130, - label = "CsJ-C=SC=SH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 CS u0 {1,S} -3 CS u0 {1,S} -4 H u0 {1,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r1 {1,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1131, - label = "CsJ-TwoDeCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -3 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -4 Cs u0 {1,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r1 {1,[S,D,T,B,Q]} +9 C ux r0 {2,S} """, kinetics = None, ) entry( index = 1132, - label = "CsJ-CtCtCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 Ct u0 {1,S} -3 Ct u0 {1,S} -4 Cs u0 {1,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r1 {1,[S,D,T,B,Q]} +9 C ux r0 {2,D} """, kinetics = None, ) entry( index = 1133, - label = "CsJ-CtCbCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-1R!H-R", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 Ct u0 {1,S} -3 Cb u0 {1,S} -4 Cs u0 {1,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1134, - label = "CsJ-CtCOCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 Ct u0 {1,S} -3 CO u0 {1,S} -4 Cs u0 {1,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1135, - label = "CsJ-CbCbCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 Cb u0 {1,S} -3 Cb u0 {1,S} -4 Cs u0 {1,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1136, - label = "CsJ-CbCOCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 Cb u0 {1,S} -3 CO u0 {1,S} -4 Cs u0 {1,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1137, - label = "CsJ-COCOCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 CO u0 {1,S} -3 CO u0 {1,S} -4 Cs u0 {1,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux r1 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1138, - label = "CsJ-CdCtCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 Cd u0 {1,S} {5,D} -3 Ct u0 {1,S} -4 Cs u0 {1,S} -5 C u0 {2,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux r1 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1139, - label = "CsJ-CdCbCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 Cd u0 {1,S} {5,D} -3 Cb u0 {1,S} -4 Cs u0 {1,S} -5 C u0 {2,D} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C u0 r1 {2,[S,D,T,B,Q]} {10,B} +10 C ux {9,B} +11 C ux {2,[S,D,T,B,Q]} +12 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1140, - label = "CsJ-CdCOCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 Cd u0 {1,S} {5,D} -3 CO u0 {1,S} -4 Cs u0 {1,S} -5 C u0 {2,D} +1 *1 C u0 r0 {2,D} {8,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C u0 r1 {2,[S,D,T,B,Q]} {10,B} +10 C ux r1 {9,B} +11 C ux {2,[S,D,T,B,Q]} +12 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1141, - label = "CsJ-CtC=SCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 Ct u0 {1,S} -3 CS u0 {1,S} -4 Cs u0 {1,S} +1 *1 C u0 r0 {2,D} {8,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C u0 r1 {2,[S,D,T,B,Q]} {10,B} +10 C ux r1 {9,B} +11 C ux {2,[S,D,T,B,Q]} +12 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1142, - label = "CsJ-CbC=SCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_4R!H-inRing", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 Cb u0 {1,S} -3 CS u0 {1,S} -4 Cs u0 {1,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r1 {1,[S,D,T,B,Q]} +9 C ux r1 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux r1 {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1143, - label = "CsJ-COC=SCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 CO u0 {1,S} -3 CS u0 {1,S} -4 Cs u0 {1,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r1 {1,[S,D,T,B,Q]} +9 C ux r1 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux r1 {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1144, - label = "CsJ-CdCdCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-1R!H-R", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 Cd u0 {1,S} {5,D} -3 Cd u0 {1,S} {6,D} -4 Cs u0 {1,S} -5 C u0 {2,D} -6 C u0 {3,D} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C u0 r1 {2,S} {10,B} +10 C u0 {9,B} +11 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1145, - label = "CsJ-CdC=SCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-1R!H-R_4R!H-inRing", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 Cd u0 {1,S} {5,D} -3 CS u0 {1,S} -4 Cs u0 {1,S} -5 C u0 {2,D} +1 *1 C u0 r0 {2,D} {8,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C u0 r1 {2,S} {10,B} +10 C u0 r1 {9,B} +11 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1146, - label = "CsJ-C=SC=SCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-1R!H-R_N-4R!H-inRing", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 CS u0 {1,S} -3 CS u0 {1,S} -4 Cs u0 {1,S} +1 *1 C u0 r0 {2,D} {8,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C u0 r1 {2,S} {10,B} +10 C u0 r1 {9,B} +11 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1147, - label = "CsJ-TwoDeOs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_4R!H-inRing", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -3 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -4 O2s u0 {1,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r1 {1,[S,D,T,B,Q]} +9 C ux r1 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux r1 {9,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1148, - label = "CsJ-TwoDeSs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_N-4R!H-inRing", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -3 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -4 S2s u0 {1,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r1 {1,[S,D,T,B,Q]} +9 C ux r1 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux r1 {9,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1149, - label = "CsJ-ThreeDe", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -3 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -4 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1150, - label = "CdsJ=Cdd", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R", group = """ -1 *3 C u1 p0 {2,D} {3,S} -2 C u0 {1,D} {4,D} -3 R u0 {1,S} -4 R!H u0 {2,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1151, - label = "CdsJ", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R", group = """ -1 C u0 {2,D} {3,S} {4,S} -2 *3 C u1 p0 {1,D} {5,S} -3 R u0 {1,S} -4 R u0 {1,S} -5 R u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +12 C ux {11,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1152, - label = "CdsJ-H", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R", group = """ -1 C u0 {2,D} {3,S} {4,S} -2 *3 C u1 p0 {1,D} {5,S} -3 R u0 {1,S} -4 R u0 {1,S} -5 H u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,S} {11,S} +3 *3 C u[1,2,3,4] r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux r0 {2,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +11 C u0 {2,S} {12,[S,D,T,B,Q]} +12 C ux {11,[S,D,T,B,Q]} +13 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1153, - label = "CdsJ-(CdCb)H", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R_4R!H-inRing", group = """ -1 *3 Cd u1 p0 {2,D} {3,S} -2 Cd u0 {1,D} {4,S} {5,S} -3 H u0 {1,S} -4 Cb u0 {2,S} -5 R u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,S} {11,S} +3 *3 C u[1,2,3,4] r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux r0 {2,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +11 C u0 r0 {2,S} {12,[S,D,T,B,Q]} +12 C ux {11,[S,D,T,B,Q]} +13 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1154, - label = "CdsJ-Cs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R_N-4R!H-inRing", group = """ -1 C u0 {2,D} {3,S} {4,S} -2 *3 C u1 p0 {1,D} {5,S} -3 R u0 {1,S} -4 R u0 {1,S} -5 Cs u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,S} {11,S} +3 *3 C u[1,2,3,4] r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux r0 {2,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +11 C u0 r0 {2,S} {12,[S,D,T,B,Q]} +12 C ux {11,[S,D,T,B,Q]} +13 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1155, - label = "CdsJ-Ct", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_4R!H-inRing", group = """ -1 C u0 {2,D} {3,S} {4,S} -2 *3 C u1 p0 {1,D} {5,S} -3 R u0 {1,S} -4 R u0 {1,S} -5 Ct u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r1 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +12 C ux {11,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1156, - label = "CdsJ-Cb", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_N-4R!H-inRing", group = """ -1 C u0 {2,D} {3,S} {4,S} -2 *3 C u1 p0 {1,D} {5,S} -3 R u0 {1,S} -4 R u0 {1,S} -5 Cb u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r1 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +12 C ux {11,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1157, - label = "CdsJ-CO", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R", group = """ -1 C u0 {2,D} {3,S} {4,S} -2 *3 C u1 p0 {1,D} {5,S} -3 R u0 {1,S} -4 R u0 {1,S} -5 CO u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} +12 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1158, - label = "CdsJ-O2s", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing", group = """ -1 *3 C u1 p0 {2,D} {3,S} -2 C u0 {1,D} {4,S} {5,S} -3 O2s u0 {1,S} -4 R u0 {2,S} -5 R u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,B} +5 C ux {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} +12 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1159, - label = "CdsJ-S2s", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing_Sp-10R!H=9R!H", group = """ -1 *3 C u1 p0 {2,D} {3,S} -2 C u0 {1,D} {4,S} {5,S} -3 S2s u0 {1,S} -4 R u0 {2,S} -5 R u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,B} +5 C ux r1 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +11 C ux {2,[S,D,T,B,Q]} +12 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1160, - label = "CdsJ-Cd", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing_N-Sp-10R!H=9R!H", group = """ -1 C u0 {2,D} {4,S} {5,S} -2 *3 C u1 p0 {1,D} {3,S} -3 Cd u0 {2,S} {6,D} -4 R u0 {1,S} -5 R u0 {1,S} -6 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,B} +5 C ux r1 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,T} +10 C ux {9,T} +11 C ux {2,[S,D,T,B,Q]} +12 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1161, - label = "CdsJ-C=S", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing", group = """ -1 C u0 {2,D} {3,S} {4,S} -2 *3 C u1 p0 {1,D} {5,S} -3 R u0 {1,S} -4 R u0 {1,S} -5 CS u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,T} +5 C ux {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} +12 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1162, - label = "OJ", - group = "OR{OJ_pri, OJ_sec, O2b}", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing_Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,T} +5 C ux r0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +11 C ux {2,[S,D,T,B,Q]} +12 R!H ux {1,[S,D,T,B,Q]} +""", kinetics = None, ) entry( index = 1163, - label = "OJ_pri", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing_N-Sp-10R!H=9R!H", group = """ -1 *3 O u1 {2,S} -2 H u0 {1,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,T} +5 C ux r0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,T} +10 C ux {9,T} +11 C ux {2,[S,D,T,B,Q]} +12 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1164, - label = "OJ_sec", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_4R!H-inRing", group = """ -1 *3 O u1 {2,S} -2 R!H u0 {1,S} +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r1 {1,S} +9 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +11 C u0 {2,S} """, kinetics = None, ) entry( index = 1165, - label = "OJ-NonDe", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_4R!H-inRing_Sp-10R!H=9R!H", group = """ -1 *3 O u1 {2,S} -2 [Cs,O2s,S2s,N3s,N5sc] u0 {1,S} +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r1 {1,S} +9 C u0 r0 {2,S} {10,D} +10 C u0 r0 {9,D} +11 C u0 r0 {2,S} """, kinetics = None, ) entry( index = 1166, - label = "O_rad/NonDe", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H=9R!H", group = """ -1 *3 O u1 {2,S} -2 [Cs,O2s,S2s] u0 {1,S} +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r1 {1,S} +9 C u0 r0 {2,S} {10,T} +10 C u0 r0 {9,T} +11 C u0 r0 {2,S} """, kinetics = None, ) entry( index = 1167, - label = "OJ-Cs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing", group = """ -1 *3 O u1 {2,S} -2 Cs u0 {1,S} +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r1 {1,S} +9 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +11 C u0 {2,S} """, kinetics = None, ) entry( index = 1168, - label = "OJ-O2s", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H=9R!H", group = """ -1 *3 O u1 {2,S} -2 O2s u0 {1,S} +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r1 {1,S} +9 C u0 r0 {2,S} {10,D} +10 C u0 r0 {9,D} +11 C u0 r0 {2,S} """, kinetics = None, ) entry( index = 1169, - label = "OJ-Ns", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H=9R!H", group = """ -1 *3 O u1 {2,S} -2 [N3s,N5sc] u0 {1,S} +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r1 {1,S} +9 C u0 r0 {2,S} {10,T} +10 C u0 r0 {9,T} +11 C u0 r0 {2,S} """, kinetics = None, ) entry( index = 1170, - label = "OJ-OneDe", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R", group = """ -1 *3 O u1 {2,S} -2 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1171, - label = "O_rad/OneDe", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_4R!H-inRing", group = """ -1 *3 O u1 {2,S} -2 [Cd,Ct,Cb,CO,CS] u0 {1,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,B} +5 C ux {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1172, - label = "OJ-OneDeN", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_4R!H-inRing_Sp-10R!H=9R!H", group = """ -1 *3 O u1 {2,S} -2 [N3d,N5dc] u0 {1,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,B} +5 C ux r1 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +11 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1173, - label = "OJ-NO", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_4R!H-inRing_N-Sp-10R!H=9R!H", group = """ -1 *3 O u1 {2,S} -2 [N3d,N5dc] u0 {1,S} {3,D} -3 O2d u0 {2,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,B} +5 C ux r1 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,T} +10 C ux {9,T} +11 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1174, - label = "O2b", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_N-4R!H-inRing", group = """ -1 *3 O u1 {2,S} -2 O u1 {1,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,T} +5 C ux {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1175, - label = "SJ", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_N-4R!H-inRing_Sp-10R!H=9R!H", group = """ -1 *3 S u1 +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,T} +5 C ux r0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +11 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1176, - label = "SsJ", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_N-4R!H-inRing_N-Sp-10R!H=9R!H", group = """ -1 *3 S2s u1 p2 {2,S} -2 R u0 {1,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,T} +5 C ux r0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,T} +10 C ux {9,T} +11 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1177, - label = "SsJ-H", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_4R!H-inRing", group = """ -1 *3 S2s u1 p2 {2,S} -2 H u0 {1,S} +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r1 {1,S} +9 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1178, - label = "SsJ-Cs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_4R!H-inRing_Sp-10R!H=9R!H", group = """ -1 *3 S2s u1 p2 {2,S} -2 Cs u0 {1,S} +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r1 {1,S} +9 C u0 r0 {2,S} {10,D} +10 C u0 r0 {9,D} """, kinetics = None, ) entry( index = 1179, - label = "SsJ-S2s", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_4R!H-inRing_N-Sp-10R!H=9R!H", group = """ -1 *3 S2s u1 p2 {2,S} -2 S2s u0 p2 {1,S} +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r1 {1,S} +9 C u0 r0 {2,S} {10,T} +10 C u0 r0 {9,T} """, kinetics = None, ) entry( index = 1180, - label = "SsJ-OneDe", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-4R!H-inRing", group = """ -1 *3 S2s u1 p2 {2,S} -2 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r1 {1,S} +9 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1181, - label = "SsJ-Ct", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-4R!H-inRing_Sp-10R!H=9R!H", group = """ -1 *3 S2s u1 p2 {2,S} -2 Ct u0 {1,S} +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r1 {1,S} +9 C u0 r0 {2,S} {10,D} +10 C u0 r0 {9,D} """, kinetics = None, ) entry( index = 1182, - label = "SsJ-Cb", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-4R!H-inRing_N-Sp-10R!H=9R!H", group = """ -1 *3 S2s u1 p2 {2,S} -2 Cb u0 {1,S} +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r1 {1,S} +9 C u0 r0 {2,S} {10,T} +10 C u0 r0 {9,T} """, kinetics = None, ) entry( index = 1183, - label = "SsJ-CO", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R", group = """ -1 *3 S2s u1 p2 {2,S} -2 CO u0 {1,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1184, - label = "SsJ-Cd", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R", group = """ -1 Cd u0 {2,S} {3,D} -2 *3 S2s u1 p2 {1,S} -3 C u0 {1,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +11 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1185, - label = "SsJ-C=S", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing", group = """ -1 *3 S2s u1 p2 {2,S} -2 CS u0 {1,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +11 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1186, - label = "NJ", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing", group = """ -1 *3 N u1 +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +11 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1187, - label = "N3J", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing", group = """ -1 *3 [N3s,N3d] u1 +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C u0 {2,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1188, - label = "N3sJ", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing_Sp-9R!H-2R!H", group = """ -1 *3 N3s u1 +1 *1 C u0 r0 {2,D} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C u0 r0 {2,S} +10 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1189, - label = "NH2J", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing_N-Sp-9R!H-2R!H", group = """ -1 *3 N3s u1 {2,S} {3,S} -2 H u0 {1,S} -3 H u0 {1,S} +1 *1 C u0 r0 {2,D} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {9,D} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C u0 r0 {2,D} +10 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1190, - label = "N3sJ-NonDeH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing", group = """ -1 *3 N3s u1 {2,S} {3,S} -2 [O2s,S2s,N3s,N5sc,Cs] u0 {1,S} -3 H u0 {1,S} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C u0 {2,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1191, - label = "N3sJ-CsH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing_Sp-9R!H-2R!H", group = """ -1 *3 N3s u1 {2,S} {3,S} -2 Cs u0 {1,S} -3 H u0 {1,S} +1 *1 C u0 r0 {2,D} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C u0 r0 {2,S} +10 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1192, - label = "N3sJ-OsH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing_N-Sp-9R!H-2R!H", group = """ -1 *3 N3s u1 {2,S} {3,S} -2 O2s u0 {1,S} -3 H u0 {1,S} +1 *1 C u0 r0 {2,D} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {9,D} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C u0 r0 {2,D} +10 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1193, - label = "N3sJ-NsH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R", group = """ -1 *3 N3s u1 {2,S} {3,S} -2 [N3s,N5sc] u0 {1,S} -3 H u0 {1,S} +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r1 {1,S} +9 R!H ux {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1194, - label = "N3sJ-NonDe2", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_4R!H-inRing", group = """ -1 *3 N3s u1 {2,S} {3,S} -2 [O2s,Cs,N3s,N5sc,S2s] u0 {1,S} -3 [O2s,Cs,N3s,N5sc,S2s] u0 {1,S} +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r1 {1,S} +9 R!H ux {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1195, - label = "N3sJ-OneDeH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_N-4R!H-inRing", group = """ -1 *3 N3s u1 {2,S} {3,S} -2 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -3 H u0 {1,S} +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r1 {1,S} +9 R!H ux {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1196, - label = "N3sJ-OneDeCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing", group = """ -1 *3 N3s u1 {2,S} {3,S} -2 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -3 Cs u0 {1,S} +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r1 {1,S} +9 C u0 {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1197, - label = "N3sJ-TwoDe", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_Sp-9R!H-2R!H", group = """ -1 *3 N3s u1 {2,S} {3,S} -2 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -3 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r1 {1,S} +9 C u0 {2,S} """, kinetics = None, ) entry( index = 1198, - label = "N3dJ", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-9R!H-2R!H", group = """ -1 *3 N3d u1 +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,D} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r1 {1,S} +9 C u0 {2,D} """, kinetics = None, ) entry( index = 1199, - label = "N3dJ_C", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing", group = """ -1 *3 N3d u1 {2,D} -2 C u0 {1,D} +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r1 {1,S} +9 C u0 {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1200, - label = "N3dJ_O", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-9R!H-2R!H", group = """ -1 *3 N3d u1 {2,D} -2 O2d u0 {1,D} +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r1 {1,S} +9 C u0 {2,S} """, kinetics = None, ) entry( index = 1201, - label = "N3dJ_N", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-9R!H-2R!H", group = """ -1 *3 N3d u1 {2,D} -2 N u0 {1,D} +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,D} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r1 {1,S} +9 C u0 {2,D} """, kinetics = None, ) entry( index = 1202, - label = "Cb-naphthalene_Cb-naphthalene", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-1R!H-R", group = """ -1 *1 Cbf u0 {2,B} {3,B} {5,B} -2 *2 Cbf u0 {1,B} {4,B} {6,B} -3 [Cb,Cbf] u0 {1,B} -4 [Cb,Cbf] u0 {2,B} -5 [Cb,Cbf] u0 {1,B} {7,B} -6 [Cb,Cbf] u0 {2,B} {8,B} -7 [Cb,Cbf] u0 {5,B} {8,B} -8 [Cb,Cbf] u0 {6,B} {7,B} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,D} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1203, - label = "Cb-indane_Cb-indane", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-1R!H-R_4R!H-inRing", group = """ -1 *1 Cb u0 {2,B} {3,B} {5,[S,B]} -2 *2 Cb u0 {1,B} {4,B} {6,[S,B]} -3 [Cb,Cbf] u0 {1,B} -4 [Cb,Cbf] u0 {2,B} -5 C u0 {1,[S,B]} {7,[S,D,T]} -6 C u0 {2,[S,B]} {7,[S,D,T]} -7 C u0 {5,[S,D,T]} {6,[S,D,T]} +1 *1 C u0 r0 {2,D} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1204, - label = "Cb-tetralin_Cb-tetralin", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-1R!H-R_N-4R!H-inRing", group = """ -1 *1 [Cb,Cbf] u0 {2,B} {3,B} {5,[S,B]} -2 *2 [Cb,Cbf] u0 {1,B} {4,B} {6,[S,B]} -3 [Cb,Cbf] u0 {1,B} -4 [Cb,Cbf] u0 {2,B} -5 C u0 {1,[S,B]} {7,[S,D,B]} -6 C u0 {2,[S,B]} {8,[S,D,B]} -7 C u0 {5,[S,D,B]} {8,[S,D,B]} -8 C u0 {6,[S,D,B]} {7,[S,D,B]} +1 *1 C u0 r0 {2,D} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1205, - label = "Cds-CsH_Cds-CbH-indene", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} {7,S} -4 H u0 {1,S} -5 H u0 {2,S} -6 Cb u0 {2,S} {7,B} -7 Cb u0 {3,S} {6,B} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r1 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1206, - label = "Cds-CsH_Cds-CbH-dihydronaphthalene", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} {8,S} -4 H u0 {1,S} -5 H u0 {2,S} -6 Cb u0 {2,S} {7,B} -7 Cb u0 {6,B} {8,S} -8 Cs u0 {7,S} {3,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r1 {1,[S,D,T,B,Q]} """, kinetics = None, ) - entry( index = 1207, - label = "Cds-CsH_Cds-CbCs-dihydronaphthalene", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} {8,S} -4 H u0 {1,S} -5 Cs u0 {2,S} -6 Cb u0 {2,S} {7,B} -7 Cb u0 {6,B} {8,S} -8 Cs u0 {3,S} {7,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 R!H u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r0 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1208, - label = "Cb-H-Ortho_Cb-C-fused", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R", group = """ -1 *1 Cb u0 {2,B} {3,S} -2 *2 Cb u0 {1,B} {4,S} {5,B} -3 H u0 {1,S} -4 C u0 {2,S} -5 Cbf u0 {2,B} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r0 {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1209, - label = "Cb-H-Para_Cb-H-fused", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H", group = """ -1 *1 Cb u0 {2,B} {7,S} {9,B} -2 *2 Cb u0 {1,B} {4,B} {6,S} -3 Cb u0 {4,B} {5,S} {8,B} -4 Cb u0 {2,B} {3,B} -5 R!H u0 {3,S} -6 H u0 {2,S} -7 H u0 {1,S} -8 Cbf u0 {3,B} {9,B} {10,B} -9 Cbf u0 {8,B} {1,B} {11,B} -10 Cb u0 {8,B} -11 Cb u0 {9,B} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r0 {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1210, - label = "Cb-H_Cb-CbfH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R", group = """ -1 *1 Cb u0 {2,B} {3,S} -2 *2 Cb u0 {1,B} {4,S} {5,B} -3 H u0 {1,S} -4 H u0 {2,S} -5 Cbf u0 {2,B} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r0 {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1211, - label = "Cb-R!H_Cbf-R!H", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R", group = """ -1 *1 [Cb,Cbf] u0 {2,B} {3,B} {5,[S,B]} -2 *2 Cbf u0 {1,B} {4,B} {6,[S,B]} -3 [Cb,Cbf] u0 {1,B} -4 [Cb,Cbf] u0 {2,B} -5 R!H u0 {1,[S,B]} -6 R!H u0 {2,[S,B]} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r0 {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 C ux {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} """, kinetics = None, ) -tree( +entry( + index = 1212, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r1 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1213, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R", + group = """ -L1: R_R - L2: Cb_Cb - L3: Cb-R!H_Cb - L4: Cb-R!H_Cb-R!H - L5: Cb-indane_Cb-indane - L6: Cb-indeneDe_Cb-indeneNde - L6: Cb-indeneNde_Cb-indene_De - L5: Cb-benzofuranNde_Cb-benzofuranDe - L5: Cb-tetralin_Cb-tetralin - L6: Cb-naphthalene_Cb-naphthalene - L5: Cb-R!H_Cbf-R!H - L4: Cb-R!H_Cb-H - L5: Cb-C-cyclic_Cb-H - L6: Cbf-Cb-cyclic_Cb-H - L5: Cb-Cd_Cb-H - L5: Cb-Cs_Cb-H - L3: Cb-H_Cb - L4: Cb-H_Cb-R!H - L5: Cb-H_Cb-indeneNde - L5: Cb-H_Cbf-Cb - L5: Cb-H-Ortho_Cb-C - L6: Cb-H-Ortho_Cb-C-fused - L4: Cb-H_Cb-H - L5: Cb-H-Meta_Cb-H - L5: Cb-H-Para_Cb-H - L6: Cb-H-Para_Cb-H-fused - L5: Cb-H_Cb-H_o_ketene - L5: Cb-H_Cb-CbfH - L2: Cd_R - L3: Cdd_Od - L4: CO2 - L4: Ck_O - L4: C=S_O - L4: Cdd_Od-N3d - L3: CO_O - L4: CO-HH_O - L4: CO-NdH_O - L5: CO-CsH_O - L4: CO-DeH_O - L5: CO-CdH_O - L5: CO-CtH_O - L4: CO-NdNd_O - L5: CO-CsCs_O - L4: CO-DeNd_O - L5: CO-CdCs_O - L5: CO-CtCs_O - L4: CO-DeDe_O - L3: Cdd_Sd - L4: Cdd-Sd_Sd - L3: Cds_Cdd - L4: Cds_Ca - L5: Cds-HH_Ca - L5: Cds-CsH_Ca - L5: Cds-CsCs_Ca - L5: Cds-OneDeH_Ca - L6: Cds-CtH_Ca - L6: Cds-CbH_Ca - L6: Cds-COH_Ca - L6: Cds-CdH_Ca - L6: Cds-C=SH_Ca - L5: Cds-OneDeCs_Ca - L6: Cds-CtCs_Ca - L6: Cds-CbCs_Ca - L6: Cds-COCs_Ca - L6: Cds-CdCs_Ca - L6: Cds-C=SCs_Ca - L5: Cds-TwoDe_Ca - L6: Cds-CtCt_Ca - L6: Cds-CtCb_Ca - L6: Cds-CtCO_Ca - L6: Cds-CbCb_Ca - L6: Cds-CbCO_Ca - L6: Cds-COCO_Ca - L6: Cds-CdCt_Ca - L6: Cds-CdCb_Ca - L6: Cds-CdCO_Ca - L6: Cds-CtC=S_Ca - L6: Cds-CbC=S_Ca - L6: Cds-COC=S_Ca - L6: Cds-CdCd_Ca - L6: Cds-CdC=S_Ca - L6: Cds-C=SC=S_Ca - L4: Cds_Ck - L5: Cds-HH_Ck - L5: Cds-CsH_Ck - L5: Cds-CsCs_Ck - L5: Cds-OneDeH_Ck - L5: Cds-OneDeCs_Ck - L5: Cds-TwoDe_Ck - L3: Cdd_Cds - L4: Ca_Cds - L5: Ca_Cds-HH - L6: Ca-Cdd_Cds-HH - L5: Ca_Cds-CsH - L5: Ca_Cds-CsCs - L5: Ca_Cds-OneDeH - L6: Ca_Cds-CtH - L6: Ca_Cds-CbH - L6: Ca_Cds-COH - L6: Ca_Cds-CdH - L6: Ca_Cds-C=SH - L5: Ca_Cds-OneDeCs - L6: Ca_Cds-CtCs - L6: Ca_Cds-CbCs - L6: Ca_Cds-COCs - L6: Ca_Cds-CdCs - L6: Ca_Cds-C=SCs - L5: Ca_Cds-TwoDe - L6: Ca_Cds-CtCt - L6: Ca_Cds-CtCb - L6: Ca_Cds-CtCO - L6: Ca_Cds-CbCb - L6: Ca_Cds-CbCO - L6: Ca_Cds-COCO - L6: Ca_Cds-CdCt - L6: Ca_Cds-CdCb - L6: Ca_Cds-CdCO - L6: Ca_Cds-CtC=S - L6: Ca_Cds-CbC=S - L6: Ca_Cds-COC=S - L6: Ca_Cds-CdCd - L7: Ca_Cds-CdCdCdCdCd_cycle - L6: Ca_Cds-CdC=S - L6: Ca_Cds-C=SC=S - L4: Ck_Cds - L5: Ck_Cds-HH - L5: Ck_Cds-CsH - L5: Ck_Cds-CsCs - L5: Ck_Cds-OneDeH - L6: Ck_Cds-CtH - L6: Ck_Cds-CbH - L6: Ck_Cds-COH - L6: Ck_Cds-CdH - L6: Ck_Cds-C=SH - L5: Ck_Cds-OneDeCs - L6: Ck_Cds-CtCs - L6: Ck_Cds-CbCs - L6: Ck_Cds-COCs - L6: Ck_Cds-CdCs - L6: Ck_Cds-C=SCs - L5: Ck_Cds-TwoDe - L6: Ck_Cds-CtCt - L6: Ck_Cds-CtCb - L6: Ck_Cds-CtCO - L6: Ck_Cds-CbCb - L6: Ck_Cds-CbCO - L6: Ck_Cds-COCO - L6: Ck_Cds-CdCt - L6: Ck_Cds-CdCb - L6: Ck_Cds-CdCO - L6: Ck_Cds-CtC=S - L6: Ck_Cds-CbC=S - L6: Ck_Cds-COC=S - L6: Ck_Cds-CdCd - L6: Ck_Cds-CdC=S - L6: Ck_Cds-C=SC=S - L3: Cdd_Cdd - L4: Ca_Ca - L5: Ca-Cb_Ca-Cb_cyc6 - L4: Ck_Ck - L4: Ca_Ck - L4: Ck_Ca - L3: Cds_Sd - L4: Cds-HH_Sd - L4: Cds-CsH_Sd - L4: Cds-CsCs_Sd - L4: Cds-OsH_Sd - L4: Cds-OsCs_Sd - L4: Cds-SsH_Sd - L4: Cds-SsCs_Sd - L4: Cds-OneDeH_Sd - L5: Cds-CtH_Sd - L5: Cds-CbH_Sd - L5: Cds-COH_Sd - L5: Cds-CdH_Sd - L5: Cds-C=SH_Sd - L4: Cds-OneDeCs_Sd - L5: Cds-CtCs_Sd - L5: Cds-CbCs_Sd - L5: Cds-COCs_Sd - L5: Cds-CdCs_Sd - L5: Cds-C=SCs_Sd - L4: Cds-TwoDe_Sd - L5: Cds-CtCt_Sd - L5: Cds-CtCb_Sd - L5: Cds-CtCO_Sd - L5: Cds-CbCb_Sd - L5: Cds-CbCO_Sd - L5: Cds-COCO_Sd - L5: Cds-CdCt_Sd - L5: Cds-CdCb_Sd - L5: Cds-CdCO_Sd - L5: Cds-CtC=S_Sd - L5: Cds-CbC=S_Sd - L5: Cds-COC=S_Sd - L5: Cds-CdCd_Sd - L5: Cds-CdC=S_Sd - L5: Cds-C=SC=S_Sd - L3: Cds_Nd - L4: Cds_N3d - L5: Cds-HH_N3d - L5: Cds-NonDeH_N3d - L5: Cds-NonDe2_N3d - L3: Cds_Cds - L4: Cds-HH_Cds - L5: Cds-HH_Cds-HH - L5: Cds-HH_Cds-CsH - L6: Cds-HH_Cds-Cs\O2s/H - L6: Cds-HH_Cds-Cs\H3/H - L5: Cds-HH_Cds-CsCs - L5: Cds-HH_Cds-OsH - L5: Cds-HH_Cds-OsCs - L5: Cds-HH_Cds-OsOs - L5: Cds-HH_Cds-SsH - L5: Cds-HH_Cds-SsCs - L5: Cds-HH_Cds-SsOs - L5: Cds-HH_Cds-SsSs - L5: Cds-HH_Cds-OneDe - L6: Cds-HH_Cds-OneDeH - L7: Cds-HH_Cds-CtH - L7: Cds-HH_Cds-CbH - L7: Cds-HH_Cds-COH - L7: Cds-HH_Cds-(Cd-Cd-Cb)H - L7: Cds-HH_Cds-CdH - L7: Cds-HH_Cds-C=SH - L6: Cds-HH_Cds-OneDeCs - L7: Cds-HH_Cds-CtCs - L7: Cds-HH_Cds-CbCs - L7: Cds-HH_Cds-COCs - L7: Cds-HH_Cds-CdCs - L7: Cds-HH_Cds-C=SCs - L6: Cds-HH_Cds-OneDeOs - L7: Cds-HH_Cds-CtOs - L7: Cds-HH_Cds-CbOs - L7: Cds-HH_Cds-COOs - L7: Cds-HH_Cds-CdOs - L7: Cds-HH_Cds-C=SOs - L6: Cds-HH_Cds-OneDeSs - L7: Cds-HH_Cds-CtSs - L7: Cds-HH_Cds-CbSs - L7: Cds-HH_Cds-COSs - L7: Cds-HH_Cds-CdSs - L7: Cds-HH_Cds-C=SSs - L5: Cds-HH_Cds-TwoDe - L6: Cds-HH_Cds-CtCt - L6: Cds-HH_Cds-CtCb - L6: Cds-HH_Cds-CtCO - L6: Cds-HH_Cds-CbCb - L6: Cds-HH_Cds-CbCO - L6: Cds-HH_Cds-COCO - L6: Cds-HH_Cds-CdCt - L6: Cds-HH_Cds-CdCb - L7: Cds-HH_Cds-CdCbCbCdCdCd_cycle - L6: Cds-HH_Cds-CdCO - L6: Cds-HH_Cds-CtC=S - L6: Cds-HH_Cds-CbC=S - L6: Cds-HH_Cds-COC=S - L6: Cds-HH_Cds-CdCd - L7: Cds-HH_Cds-CdCd_cyc - L6: Cds-HH_Cds-CdC=S - L6: Cds-HH_Cds-C=SC=S - L4: Cds-CsH_Cds - L5: Cds-CsH_Cds-HH - L6: Cds-Cs\O2s/H_Cds-HH - L5: Cds-CsH_Cds-CsH - L6: Cds-CsH_Cds-(CsH-Cds-Cds)_cyc6 - L5: Cds-CsH_Cds-CsCs - L5: Cds-CsH_Cds-OsH - L5: Cds-CsH_Cds-OsCs - L5: Cds-CsH_Cds-OsOs - L5: Cds-CsH_Cds-SsH - L5: Cds-CsH_Cds-SsCs - L5: Cds-CsH_Cds-SsOs - L5: Cds-CsH_Cds-SsSs - L5: Cds-CsH_Cds-OneDe - L6: Cds-CsH_Cds-OneDeH - L7: Cds-CsH_Cds-CtH - L7: Cds-CsH_Cds-CbH - L8: Cds-CsH_Cds-CbH-indene - L8: Cds-CsH_Cds-CbH-dihydronaphthalene - L7: Cds-CsH_Cds-COH - L7: Cds-CsH_Cds-(Cd-Cd-Cd-Cd-Cd)H - L7: Cds-CsH_Cds-(Cd-Cd-Cd)H - L7: Cds-CsH_Cds-Cd(Cd)H - L7: Cds-CsH_Cds-CdH - L8: Cds-CsH_Cds-(CdsH-Cds)_cyc5 - L7: Cds-CsH_Cds-C=SH - L6: Cds-CsH_Cds-OneDeCs - L7: Cds-CsH_Cds-CtCs - L7: Cds-CsH_Cds-CbCs - L8: Cds-CsH_Cds-CbCs-dihydronaphthalene - L7: Cds-CsH_Cds-COCs - L7: Cds-CsH_Cds-CdCs - L7: Cds-CsH_Cds-C=SCs - L6: Cds-CsH_Cds-OneDeOs - L7: Cds-CsH_Cds-CtOs - L7: Cds-CsH_Cds-CbOs - L7: Cds-CsH_Cds-COOs - L7: Cds-CsH_Cds-CdOs - L7: Cds-CsH_Cds-C=SOs - L6: Cds-CsH_Cds-OneDeSs - L7: Cds-CsH_Cds-CtSs - L7: Cds-CsH_Cds-CbSs - L7: Cds-CsH_Cds-COSs - L7: Cds-CsH_Cds-CdSs - L7: Cds-CsH_Cds-C=SSs - L5: Cds-CsH_Cds-TwoDe - L6: Cds-CsH_Cds-CtCt - L6: Cds-CsH_Cds-CtCb - L6: Cds-CsH_Cds-CtCO - L6: Cds-CsH_Cds-CbCb - L6: Cds-CsH_Cds-CbCO - L6: Cds-CsH_Cds-COCO - L6: Cds-CsH_Cds-CdCt - L6: Cds-CsH_Cds-CdCb - L6: Cds-CsH_Cds-CdCO - L6: Cds-CsH_Cds-CtC=S - L6: Cds-CsH_Cds-CbC=S - L6: Cds-CsH_Cds-COC=S - L6: Cds-CsH_Cds-CdCd - L6: Cds-CsH_Cds-CdC=S - L6: Cds-CsH_Cds-C=SC=S - L4: Cds-CsCs_Cds - L5: Cds-CsCs_Cds-HH - L5: Cds-CsCs_Cds-CsH - L5: Cds-CsCs_Cds-CsCs - L5: Cds-CsCs_Cds-OsH - L5: Cds-CsCs_Cds-OsCs - L5: Cds-CsCs_Cds-OsOs - L5: Cds-CsCs_Cds-SsH - L5: Cds-CsCs_Cds-SsCs - L5: Cds-CsCs_Cds-SsOs - L5: Cds-CsCs_Cds-SsSs - L5: Cds-CsCs_Cds-OneDe - L6: Cds-CsCs_Cds-OneDeH - L7: Cds-CsCs_Cds-CtH - L7: Cds-CsCs_Cds-CbH - L7: Cds-CsCs_Cds-COH - L7: Cds-CsCs_Cds-CdH - L7: Cds-CsCs_Cds-C=SH - L6: Cds-CsCs_Cds-OneDeCs - L7: Cds-CsCs_Cds-CtCs - L7: Cds-CsCs_Cds-CbCs - L7: Cds-CsCs_Cds-COCs - L7: Cds-CsCs_Cds-CdCs - L7: Cds-CsCs_Cds-C=SCs - L6: Cds-CsCs_Cds-OneDeOs - L7: Cds-CsCs_Cds-CtOs - L7: Cds-CsCs_Cds-CbOs - L7: Cds-CsCs_Cds-COOs - L7: Cds-CsCs_Cds-CdOs - L7: Cds-CsCs_Cds-C=SOs - L6: Cds-CsCs_Cds-OneDeSs - L7: Cds-CsCs_Cds-CtSs - L7: Cds-CsCs_Cds-CbSs - L7: Cds-CsCs_Cds-COSs - L7: Cds-CsCs_Cds-CdSs - L7: Cds-CsCs_Cds-C=SSs - L5: Cds-CsCs_Cds-TwoDe - L6: Cds-CsCs_Cds-CtCt - L6: Cds-CsCs_Cds-CtCb - L6: Cds-CsCs_Cds-CtCO - L6: Cds-CsCs_Cds-CbCb - L6: Cds-CsCs_Cds-CbCO - L6: Cds-CsCs_Cds-COCO - L6: Cds-CsCs_Cds-CdCt - L6: Cds-CsCs_Cds-CdCb - L6: Cds-CsCs_Cds-CdCO - L6: Cds-CsCs_Cds-CtC=S - L6: Cds-CsCs_Cds-CbC=S - L6: Cds-CsCs_Cds-COC=S - L6: Cds-CsCs_Cds-(Cd-Cd-Cd)Cd - L6: Cds-CsCs_Cds-CdCd - L6: Cds-CsCs_Cds-CdC=S - L6: Cds-CsCs_Cds-C=SC=S - L4: Cds-SsH_Cds - L4: Cds-SsCs_Cds - L4: Cds-SsSs_Cds - L4: Cds-N3sH_Cds - L4: Cds-OsH_Cds - L5: Cds-OsH_Cds-CsH - L4: Cds-OsCs_Cds - L4: Cds-OsOs_Cds - L4: Cds-OsSs_Cds - L4: Cds-OneDe_Cds - L5: Cds-OneDeH_Cds - L6: Cds-CtH_Cds - L7: Cds-CtH_Cds-HH - L7: Cds-CtH_Cds-CsH - L7: Cds-CtH_Cds-CsCs - L7: Cds-CtH_Cds-OsH - L7: Cds-CtH_Cds-OsCs - L7: Cds-CtH_Cds-OsOs - L7: Cds-CtH_Cds-SsH - L7: Cds-CtH_Cds-SsCs - L7: Cds-CtH_Cds-SsOs - L7: Cds-CtH_Cds-SsSs - L7: Cds-CtH_Cds-OneDe - L8: Cds-CtH_Cds-OneDeH - L9: Cds-CtH_Cds-CtH - L9: Cds-CtH_Cds-CbH - L9: Cds-CtH_Cds-COH - L9: Cds-CtH_Cds-CdH - L9: Cds-CtH_Cds-C=SH - L8: Cds-CtH_Cds-OneDeCs - L9: Cds-CtH_Cds-CtCs - L9: Cds-CtH_Cds-CbCs - L9: Cds-CtH_Cds-COCs - L9: Cds-CtH_Cds-CdCs - L9: Cds-CtH_Cds-C=SCs - L8: Cds-CtH_Cds-OneDeOs - L9: Cds-CtH_Cds-CtOs - L9: Cds-CtH_Cds-CbOs - L9: Cds-CtH_Cds-COOs - L9: Cds-CtH_Cds-CdOs - L9: Cds-CtH_Cds-C=SOs - L8: Cds-CtH_Cds-OneDeSs - L9: Cds-CtH_Cds-CtSs - L9: Cds-CtH_Cds-CbSs - L9: Cds-CtH_Cds-COSs - L9: Cds-CtH_Cds-CdSs - L9: Cds-CtH_Cds-C=SSs - L7: Cds-CtH_Cds-TwoDe - L8: Cds-CtH_Cds-CtCt - L8: Cds-CtH_Cds-CtCb - L8: Cds-CtH_Cds-CtCO - L8: Cds-CtH_Cds-CbCb - L8: Cds-CtH_Cds-CbCO - L8: Cds-CtH_Cds-COCO - L8: Cds-CtH_Cds-CdCt - L8: Cds-CtH_Cds-CdCb - L8: Cds-CtH_Cds-CdCO - L8: Cds-CtH_Cds-CtC=S - L8: Cds-CtH_Cds-CbC=S - L8: Cds-CtH_Cds-COC=S - L8: Cds-CtH_Cds-CdCd - L8: Cds-CtH_Cds-CdC=S - L8: Cds-CtH_Cds-C=SC=S - L6: Cds-CbH_Cds - L7: Cds-CbH_Cds-HH - L7: Cds-CbH_Cds-CsH - L7: Cds-CbH_Cds-CsCs - L7: Cds-CbH_Cds-OsH - L7: Cds-CbH_Cds-OsCs - L7: Cds-CbH_Cds-OsOs - L7: Cds-CbH_Cds-SsH - L7: Cds-CbH_Cds-SsCs - L7: Cds-CbH_Cds-SsOs - L7: Cds-CbH_Cds-SsSs - L7: Cds-CbH_Cds-OneDe - L8: Cds-CbH_Cds-OneDeH - L9: Cds-CbH_Cds-CtH - L9: Cds-CbH_Cds-CbH - L9: Cds-CbH_Cds-COH - L9: Cds-CbH_Cds-CdH - L10: Cds-CbH_Cds-Cd(CdCb)H - L9: Cds-CbH_Cds-C=SH - L8: Cds-CbH_Cds-OneDeCs - L9: Cds-CbH_Cds-CtCs - L9: Cds-CbH_Cds-CbCs - L9: Cds-CbH_Cds-COCs - L9: Cds-CbH_Cds-CdCs - L9: Cds-CbH_Cds-C=SCs - L8: Cds-CbH_Cds-OneDeOs - L9: Cds-CbH_Cds-CtOs - L9: Cds-CbH_Cds-CbOs - L9: Cds-CbH_Cds-COOs - L9: Cds-CbH_Cds-CdOs - L9: Cds-CbH_Cds-C=SOs - L8: Cds-CbH_Cds-OneDeSs - L9: Cds-CbH_Cds-CtSs - L9: Cds-CbH_Cds-CbSs - L9: Cds-CbH_Cds-COSs - L9: Cds-CbH_Cds-CdSs - L9: Cds-CbH_Cds-C=SSs - L7: Cds-CbH_Cds-TwoDe - L8: Cds-CbH_Cds-CtCt - L8: Cds-CbH_Cds-CtCb - L8: Cds-CbH_Cds-CtCO - L8: Cds-CbH_Cds-CbCb - L8: Cds-CbH_Cds-CbCO - L8: Cds-CbH_Cds-COCO - L8: Cds-CbH_Cds-CdCt - L8: Cds-CbH_Cds-CdCb - L8: Cds-CbH_Cds-CdCO - L8: Cds-CbH_Cds-CtC=S - L8: Cds-CbH_Cds-CbC=S - L8: Cds-CbH_Cds-COC=S - L8: Cds-CbH_Cds-CdCd - L8: Cds-CbH_Cds-CdC=S - L8: Cds-CbH_Cds-C=SC=S - L6: Cds-COH_Cds - L6: Cds-CdH_Cds - L7: Cds-CdH_Cds-HH - L7: Cds-CdH_Cds-CsH - L8: Cds-CdH_Cds-(CsH-Cs-Cds)_cyc6 - L8: Cds-CdH_Cds-(CsH-Cds)_cyc5 - L7: Cds-CdH_Cds-CsCs - L7: Cds-CdH_Cds-OsH - L7: Cds-CdH_Cds-OsCs - L7: Cds-CdH_Cds-OsOs - L7: Cds-CdH_Cds-SsH - L7: Cds-CdH_Cds-SsCs - L7: Cds-CdH_Cds-SsOs - L7: Cds-CdH_Cds-SsSs - L7: Cds-CdH_Cds-OneDe - L8: Cds-CdH_Cds-OneDeH - L9: Cds-CdH_Cds-CtH - L9: Cds-CdH_Cds-CbH - L10: Cds(CdCb)-CdH_Cds-CbH_cycle - L10: Cds-CdH_Cds-Cb(Cb)H_cycle - L9: Cds-CdH_Cds-COH - L9: Cds-CdH_Cds-CdH - L10: Cds-CdH_Cds-CdH_cyc5_1 - L10: Cds-CdH_Cds-CdH_cyc5_2 - L9: Cds-CdH_Cds-C=SH - L8: Cds-CdH_Cds-OneDeCs - L9: Cds-CdH_Cds-CtCs - L9: Cds-CdH_Cds-CbCs - L9: Cds-CdH_Cds-COCs - L9: Cds-CdH_Cds-CdCs - L9: Cds-CdH_Cds-C=SCs - L8: Cds-CdH_Cds-OneDeOs - L9: Cds-CdH_Cds-CtOs - L9: Cds-CdH_Cds-CbOs - L9: Cds-CdH_Cds-COOs - L9: Cds-CdH_Cds-CdOs - L9: Cds-CdH_Cds-C=SOs - L8: Cds-CdH_Cds-OneDeSs - L9: Cds-CdH_Cds-CtSs - L9: Cds-CdH_Cds-CbSs - L9: Cds-CdH_Cds-COSs - L9: Cds-CdH_Cds-CdSs - L9: Cds-CdH_Cds-C=SSs - L8: Cds-CdH_Cds-TwoDe - L9: Cds-CdH_Cds-CtCt - L9: Cds-CdH_Cds-CtCb - L9: Cds-CdH_Cds-CtCO - L9: Cds-CdH_Cds-CbCb - L9: Cds-CdH_Cds-CbCO - L9: Cds-CdH_Cds-COCO - L9: Cds-CdH_Cds-CdCt - L9: Cds-CdH_Cds-CdCb - L9: Cds-CdH_Cds-CdCO - L9: Cds-CdH_Cds-CtC=S - L9: Cds-CdH_Cds-CbC=S - L9: Cds-CdH_Cds-COC=S - L9: Cds-CdH_Cds-CdCd - L10: Cds-CdH_Cds-CdCd_cyc6 - L11: Cds-CdH_Cds-CdCd_cyc6_cyc5 - L9: Cds-CdH_Cds-CdC=S - L9: Cds-CdH_Cds-C=SC=S - L6: Cds-C=SH_Cds - L5: Cds-OneDeCs_Cds - L6: Cds-CtCs_Cds - L7: Cds-CtCs_Cds-HH - L7: Cds-CtCs_Cds-CsH - L7: Cds-CtCs_Cds-CsCs - L7: Cds-CtCs_Cds-OsH - L7: Cds-CtCs_Cds-OsCs - L7: Cds-CtCs_Cds-OsOs - L7: Cds-CtCs_Cds-SsH - L7: Cds-CtCs_Cds-SsCs - L7: Cds-CtCs_Cds-SsOs - L7: Cds-CtCs_Cds-SsSs - L7: Cds-CtCs_Cds-OneDe - L8: Cds-CtCs_Cds-OneDeH - L9: Cds-CtCs_Cds-CtH - L9: Cds-CtCs_Cds-CbH - L9: Cds-CtCs_Cds-COH - L9: Cds-CtCs_Cds-CdH - L9: Cds-CtCs_Cds-C=SH - L8: Cds-CtCs_Cds-OneDeCs - L9: Cds-CtCs_Cds-CtCs - L9: Cds-CtCs_Cds-CbCs - L9: Cds-CtCs_Cds-COCs - L9: Cds-CtCs_Cds-CdCs - L9: Cds-CtCs_Cds-C=SCs - L8: Cds-CtCs_Cds-OneDeOs - L9: Cds-CtCs_Cds-CtOs - L9: Cds-CtCs_Cds-CbOs - L9: Cds-CtCs_Cds-COOs - L9: Cds-CtCs_Cds-CdOs - L9: Cds-CtCs_Cds-C=SOs - L8: Cds-CtCs_Cds-OneDeSs - L9: Cds-CtCs_Cds-CtSs - L9: Cds-CtCs_Cds-CbSs - L9: Cds-CtCs_Cds-COSs - L9: Cds-CtCs_Cds-CdSs - L9: Cds-CtCs_Cds-C=SSs - L7: Cds-CtCs_Cds-TwoDe - L8: Cds-CtCs_Cds-CtCt - L8: Cds-CtCs_Cds-CtCb - L8: Cds-CtCs_Cds-CtCO - L8: Cds-CtCs_Cds-CbCb - L8: Cds-CtCs_Cds-CbCO - L8: Cds-CtCs_Cds-COCO - L8: Cds-CtCs_Cds-CdCt - L8: Cds-CtCs_Cds-CdCb - L8: Cds-CtCs_Cds-CdCO - L8: Cds-CtCs_Cds-CtC=S - L8: Cds-CtCs_Cds-CbC=S - L8: Cds-CtCs_Cds-COC=S - L8: Cds-CtCs_Cds-CdCd - L8: Cds-CtCs_Cds-CdC=S - L8: Cds-CtCs_Cds-C=SC=S - L6: Cds-CbCs_Cds - L7: Cds-CbCs_Cds-HH - L7: Cds-CbCs_Cds-CsH - L7: Cds-CbCs_Cds-CsCs - L7: Cds-CbCs_Cds-OsH - L7: Cds-CbCs_Cds-OsCs - L7: Cds-CbCs_Cds-OsOs - L7: Cds-CbCs_Cds-SsH - L7: Cds-CbCs_Cds-SsCs - L7: Cds-CbCs_Cds-SsOs - L7: Cds-CbCs_Cds-SsSs - L7: Cds-CbCs_Cds-OneDe - L8: Cds-CbCs_Cds-OneDeH - L9: Cds-CbCs_Cds-CtH - L9: Cds-CbCs_Cds-CbH - L9: Cds-CbCs_Cds-COH - L9: Cds-CbCs_Cds-CdH - L9: Cds-CbCs_Cds-C=SH - L8: Cds-CbCs_Cds-OneDeCs - L9: Cds-CbCs_Cds-CtCs - L9: Cds-CbCs_Cds-CbCs - L9: Cds-CbCs_Cds-COCs - L9: Cds-CbCs_Cds-CdCs - L9: Cds-CbCs_Cds-C=SCs - L8: Cds-CbCs_Cds-OneDeOs - L9: Cds-CbCs_Cds-CtOs - L9: Cds-CbCs_Cds-CbOs - L9: Cds-CbCs_Cds-COOs - L9: Cds-CbCs_Cds-CdOs - L9: Cds-CbCs_Cds-C=SOs - L8: Cds-CbCs_Cds-OneDeSs - L9: Cds-CbCs_Cds-CtSs - L9: Cds-CbCs_Cds-CbSs - L9: Cds-CbCs_Cds-COSs - L9: Cds-CbCs_Cds-CdSs - L9: Cds-CbCs_Cds-C=SSs - L7: Cds-CbCs_Cds-TwoDe - L8: Cds-CbCs_Cds-CtCt - L8: Cds-CbCs_Cds-CtCb - L8: Cds-CbCs_Cds-CtCO - L8: Cds-CbCs_Cds-CbCb - L8: Cds-CbCs_Cds-CbCO - L8: Cds-CbCs_Cds-COCO - L8: Cds-CbCs_Cds-CdCt - L8: Cds-CbCs_Cds-CdCb - L8: Cds-CbCs_Cds-CdCO - L8: Cds-CbCs_Cds-CtC=S - L8: Cds-CbCs_Cds-CbC=S - L8: Cds-CbCs_Cds-COC=S - L8: Cds-CbCs_Cds-CdCd - L8: Cds-CbCs_Cds-CdC=S - L8: Cds-CbCs_Cds-C=SC=S - L6: Cds-COCs_Cds - L6: Cds-CdCs_Cds - L7: Cds-CdCs_Cds-HH - L7: Cds-CdCs_Cds-CsH - L7: Cds-CdCs_Cds-CsCs - L7: Cds-CdCs_Cds-OsH - L7: Cds-CdCs_Cds-OsCs - L7: Cds-CdCs_Cds-OsOs - L7: Cds-CdCs_Cds-SsH - L7: Cds-CdCs_Cds-SsCs - L7: Cds-CdCs_Cds-SsOs - L7: Cds-CdCs_Cds-SsSs - L7: Cds-CdCs_Cds-OneDe - L8: Cds-CdCs_Cds-OneDeH - L9: Cds-CdCs_Cds-CtH - L9: Cds-CdCs_Cds-CbH - L9: Cds-CdCs_Cds-COH - L9: Cds-CdCs_Cds-(Cd-Cd-Cd)H - L9: Cds-CdCs_Cds-CdH - L9: Cds-CdCs_Cds-C=SH - L8: Cds-CdCs_Cds-OneDeCs - L9: Cds-CdCs_Cds-CtCs - L9: Cds-CdCs_Cds-CbCs - L9: Cds-CdCs_Cds-COCs - L9: Cds-CdCs_Cds-CdCs - L9: Cds-CdCs_Cds-C=SCs - L8: Cds-CdCs_Cds-OneDeOs - L9: Cds-CdCs_Cds-CtOs - L9: Cds-CdCs_Cds-CbOs - L9: Cds-CdCs_Cds-COOs - L9: Cds-CdCs_Cds-CdOs - L9: Cds-CdCs_Cds-C=SOs - L8: Cds-CdCs_Cds-OneDeSs - L9: Cds-CdCs_Cds-CtSs - L9: Cds-CdCs_Cds-CbSs - L9: Cds-CdCs_Cds-COSs - L9: Cds-CdCs_Cds-CdSs - L9: Cds-CdCs_Cds-C=SSs - L8: Cds-CdCs_Cds-TwoDe - L9: Cds-CdCs_Cds-CtCt - L9: Cds-CdCs_Cds-CtCb - L9: Cds-CdCs_Cds-CtCO - L9: Cds-CdCs_Cds-CbCb - L9: Cds-CdCs_Cds-CbCO - L9: Cds-CdCs_Cds-COCO - L9: Cds-CdCs_Cds-CdCt - L9: Cds-CdCs_Cds-CdCb - L9: Cds-CdCs_Cds-CdCO - L9: Cds-CdCs_Cds-CtC=S - L9: Cds-CdCs_Cds-CbC=S - L9: Cds-CdCs_Cds-COC=S - L9: Cds-CdCs_Cds-CdCd - L9: Cds-CdCs_Cds-CdC=S - L9: Cds-CdCs_Cds-C=SC=S - L6: Cds-C=SCs_Cds - L5: Cds-OneDeSs_Cds - L6: Cds-CtSs_Cds - L6: Cds-CbSs_Cds - L6: Cds-COSs_Cds - L6: Cds-CdSs_Cds - L6: Cds-C=SSs_Cds - L5: Cds-OneDeOs_Cds - L6: Cds-CtOs_Cds - L6: Cds-CbOs_Cds - L6: Cds-COOs_Cds - L6: Cds-CdOs_Cds - L6: Cds-C=SOs_Cds - L4: Cds-TwoDe_Cds - L5: Cds-CtCt_Cds - L6: Cds-CtCt_Cds-HH - L6: Cds-CtCt_Cds-CsH - L6: Cds-CtCt_Cds-CsCs - L6: Cds-CtCt_Cds-OsH - L6: Cds-CtCt_Cds-OsCs - L6: Cds-CtCt_Cds-OsOs - L6: Cds-CtCt_Cds-SsH - L6: Cds-CtCt_Cds-SsCs - L6: Cds-CtCt_Cds-SsOs - L6: Cds-CtCt_Cds-SsSs - L6: Cds-CtCt_Cds-OneDe - L7: Cds-CtCt_Cds-OneDeH - L8: Cds-CtCt_Cds-CtH - L8: Cds-CtCt_Cds-CbH - L8: Cds-CtCt_Cds-COH - L8: Cds-CtCt_Cds-CdH - L8: Cds-CtCt_Cds-C=SH - L7: Cds-CtCt_Cds-OneDeCs - L8: Cds-CtCt_Cds-CtCs - L8: Cds-CtCt_Cds-CbCs - L8: Cds-CtCt_Cds-COCs - L8: Cds-CtCt_Cds-CdCs - L8: Cds-CtCt_Cds-C=SCs - L7: Cds-CtCt_Cds-OneDeOs - L8: Cds-CtCt_Cds-CtOs - L8: Cds-CtCt_Cds-CbOs - L8: Cds-CtCt_Cds-COOs - L8: Cds-CtCt_Cds-CdOs - L8: Cds-CtCt_Cds-C=SOs - L7: Cds-CtCt_Cds-OneDeSs - L8: Cds-CtCt_Cds-CtSs - L8: Cds-CtCt_Cds-CbSs - L8: Cds-CtCt_Cds-COSs - L8: Cds-CtCt_Cds-CdSs - L8: Cds-CtCt_Cds-C=SSs - L6: Cds-CtCt_Cds-TwoDe - L7: Cds-CtCt_Cds-CtCt - L7: Cds-CtCt_Cds-CtCb - L7: Cds-CtCt_Cds-CtCO - L7: Cds-CtCt_Cds-CbCb - L7: Cds-CtCt_Cds-CbCO - L7: Cds-CtCt_Cds-COCO - L7: Cds-CtCt_Cds-CdCt - L7: Cds-CtCt_Cds-CdCb - L7: Cds-CtCt_Cds-CdCO - L7: Cds-CtCt_Cds-CtC=S - L7: Cds-CtCt_Cds-CbC=S - L7: Cds-CtCt_Cds-COC=S - L7: Cds-CtCt_Cds-CdCd - L7: Cds-CtCt_Cds-CdC=S - L7: Cds-CtCt_Cds-C=SC=S - L5: Cds-CtCb_Cds - L5: Cds-CtCO_Cds - L5: Cds-CbCb_Cds - L5: Cds-CbCO_Cds - L5: Cds-COCO_Cds - L5: Cds-CdCt_Cds - L6: Cds-CdCt_Cds-HH - L6: Cds-CdCt_Cds-CsH - L6: Cds-CdCt_Cds-CsCs - L6: Cds-CdCt_Cds-OsH - L6: Cds-CdCt_Cds-OsCs - L6: Cds-CdCt_Cds-OsOs - L6: Cds-CdCt_Cds-SsH - L6: Cds-CdCt_Cds-SsCs - L6: Cds-CdCt_Cds-SsOs - L6: Cds-CdCt_Cds-SsSs - L6: Cds-CdCt_Cds-OneDe - L7: Cds-CdCt_Cds-OneDeH - L8: Cds-CdCt_Cds-CtH - L8: Cds-CdCt_Cds-CbH - L8: Cds-CdCt_Cds-COH - L8: Cds-CdCt_Cds-CdH - L8: Cds-CdCt_Cds-C=SH - L7: Cds-CdCt_Cds-OneDeCs - L8: Cds-CdCt_Cds-CtCs - L8: Cds-CdCt_Cds-CbCs - L8: Cds-CdCt_Cds-COCs - L8: Cds-CdCt_Cds-CdCs - L8: Cds-CdCt_Cds-C=SCs - L7: Cds-CdCt_Cds-OneDeOs - L8: Cds-CdCt_Cds-CtOs - L8: Cds-CdCt_Cds-CbOs - L8: Cds-CdCt_Cds-COOs - L8: Cds-CdCt_Cds-CdOs - L8: Cds-CdCt_Cds-C=SOs - L7: Cds-CdCt_Cds-OneDeSs - L8: Cds-CdCt_Cds-CtSs - L8: Cds-CdCt_Cds-CbSs - L8: Cds-CdCt_Cds-COSs - L8: Cds-CdCt_Cds-CdSs - L8: Cds-CdCt_Cds-C=SSs - L6: Cds-CdCt_Cds-TwoDe - L7: Cds-CdCt_Cds-CtCt - L7: Cds-CdCt_Cds-CtCb - L7: Cds-CdCt_Cds-CtCO - L7: Cds-CdCt_Cds-CbCb - L7: Cds-CdCt_Cds-CbCO - L7: Cds-CdCt_Cds-COCO - L7: Cds-CdCt_Cds-CdCt - L7: Cds-CdCt_Cds-CdCb - L7: Cds-CdCt_Cds-CdCO - L7: Cds-CdCt_Cds-CtC=S - L7: Cds-CdCt_Cds-CbC=S - L7: Cds-CdCt_Cds-COC=S - L7: Cds-CdCt_Cds-CdCd - L7: Cds-CdCt_Cds-CdC=S - L7: Cds-CdCt_Cds-C=SC=S - L5: Cds-CdCb_Cds - L5: Cds-CdCO_Cds - L5: Cds-CtC=S_Cds - L5: Cds-CbC=S_Cds - L5: Cds-COC=S_Cds - L5: Cds-CdCd_Cds - L6: Cds-CdCd_Cds-HH - L6: Cds-CdCd_Cds-CsH - L6: Cds-CdCd_Cds-CsCs - L6: Cds-CdCd_Cds-OsH - L6: Cds-CdCd_Cds-OsCs - L6: Cds-CdCd_Cds-OsOs - L6: Cds-CdCd_Cds-SsH - L6: Cds-CdCd_Cds-SsCs - L6: Cds-CdCd_Cds-SsOs - L6: Cds-CdCd_Cds-SsSs - L6: Cds-CdCd_Cds-OneDe - L7: Cds-CdCd_Cds-OneDeH - L8: Cds-CdCd_Cds-CtH - L8: Cds-CdCd_Cds-CbH - L8: Cds-CdCd_Cds-COH - L8: Cds-CdCd_Cds-CdH - L8: Cds-CdCd_Cds-C=SH - L7: Cds-CdCd_Cds-OneDeCs - L8: Cds-CdCd_Cds-CtCs - L8: Cds-CdCd_Cds-CbCs - L8: Cds-CdCd_Cds-COCs - L8: Cds-CdCd_Cds-CdCs - L8: Cds-CdCd_Cds-C=SCs - L7: Cds-CdCd_Cds-OneDeOs - L8: Cds-CdCd_Cds-CtOs - L8: Cds-CdCd_Cds-CbOs - L8: Cds-CdCd_Cds-COOs - L8: Cds-CdCd_Cds-CdOs - L8: Cds-CdCd_Cds-C=SOs - L7: Cds-CdCd_Cds-OneDeSs - L8: Cds-CdCd_Cds-CtSs - L8: Cds-CdCd_Cds-CbSs - L8: Cds-CdCd_Cds-COSs - L8: Cds-CdCd_Cds-CdSs - L8: Cds-CdCd_Cds-C=SSs - L6: Cds-CdCd_Cds-TwoDe - L7: Cds-CdCd_Cds-CtCt - L7: Cds-CdCd_Cds-CtCb - L7: Cds-CdCd_Cds-CtCO - L7: Cds-CdCd_Cds-CbCb - L7: Cds-CdCd_Cds-CbCO - L7: Cds-CdCd_Cds-COCO - L7: Cds-CdCd_Cds-CdCt - L7: Cds-CdCd_Cds-CdCb - L7: Cds-CdCd_Cds-CdCO - L7: Cds-CdCd_Cds-CtC=S - L7: Cds-CdCd_Cds-CbC=S - L7: Cds-CdCd_Cds-COC=S - L7: Cds-CdCd_Cds-CdCd - L7: Cds-CdCd_Cds-CdC=S - L7: Cds-CdCd_Cds-C=SC=S - L5: Cds-CdC=S_Cds - L5: Cds-C=SC=S_Cds - L4: Cds-OJH_Cds - L5: Cds-OJH_Cds-HH - L5: Cds-OJH_Cds-CsH - L4: Cds-OJNonDe_Cds - L5: Cds-OJCs_Cds-HH - L4: Cds-OJDe_Cds - L2: Ct_R - L3: Ct_Ct - L4: Ct-H_Ct-H - L4: Ct-H_Ct-Cs - L4: Ct-Cs_Ct-H - L4: Ct-Cs_Ct-Cs - L4: Ct-H_Ct-De - L5: Ct-H_Ct-Ct - L5: Ct-H_Ct-Cb - L5: Ct-H_Ct-CO - L5: Ct-H_Ct-Cd - L6: Ct-H_Ct-Cd-C-Cb - L5: Ct-H_Ct-C=S - L4: Ct-Cs_Ct-De - L5: Ct-Cs_Ct-Ct - L5: Ct-Cs_Ct-Cb - L5: Ct-Cs_Ct-CO - L5: Ct-Cs_Ct-Cd - L5: Ct-Cs_Ct-C=S - L4: Ct-De_Ct-H - L5: Ct-Cb_Ct-H - L5: Ct-CO_Ct-H - L5: Ct-Cd_Ct-H - L5: Ct-Ct_Ct-H - L5: Ct-C=S_Ct-H - L4: Ct-De_Ct-Cs - L5: Ct-Cb_Ct-Cs - L5: Ct-CO_Ct-Cs - L5: Ct-Cd_Ct-Cs - L5: Ct-Ct_Ct-Cs - L5: Ct-CS_Ct-Cs - L4: Ct-De_Ct-De - L5: Ct-Ct_Ct-Ct - L5: Ct-Cd_Ct-Ct - L5: Ct-Ct_Ct-Cd - L5: Ct-Cd_Ct-Cd - L6: Ct-Cd_Ct-Cd_cyc6 - L5: Ct-De_Ct-Cb - L6: Ct-Cd_Ct-Cb - L7: Ct-CdCdCb_Ct-Cb_cyc6 - L5: Ct-Cb_Ct-Cd - L6: Ct-Cb_Ct-CdCdCb_cyc6 - L6: Ct-Cb_Ct-CdCb_cyc5 - L4: Ct-O_Ct - L5: Ct-O_Ct-Cb - L3: Ct_Nt - L4: Ct_N3t - L5: Ct-H_N3t - L5: Ct-NonDe_N3t - L5: Ct-OneDe_N3t - L4: Ct_N5t - L2: Od_R - L3: Od_CO - L4: Od_CO-HH - L4: Od_CO-NdH - L5: Od_CO-CsH - L4: Od_CO-NdNd - L5: Od_CO-CsCs - L4: Od_CO-DeH - L5: Od_CO-CdH - L5: Od_CO-CtH - L4: Od_CO-DeNd - L5: Od_CO-CdCs - L5: Od_CO-CtCs - L3: Od_Cdd - L4: Od_Cdd-O2d - L3: Od_Nd - L4: Od_N3d - L4: Od_N5dc - L2: Nd_R - L3: N1dc_R - L3: N3d_R - L4: N3d_Cd - L5: N3d_Cds - L6: N3d-H_Cds - L7: N3d-H_Cds-HH - L7: N3d-H_Cds-NonDeH - L7: N3d-H_Cds-NonDe2 - L6: N3d-NonDe_Cds - L6: N3d-OneDe_Cds - L5: N3d_Cdd - L4: N3d_Od - L5: N3d-H_Od - L5: N3d-NonDe_Od - L5: N3d-OneDe_Od - L4: N3d_Nd - L5: N3d_N3d - L6: N3d-H_N3d - L7: N3d-H_N3d-H - L7: N3d-H_N3d-NonDe - L7: N3d-H_N3d-OneDe - L6: N3d-NonDe_N3d - L6: N3d-OneDe_N3d - L5: N3d_N5dc - L2: Nt_R - L3: N3t_R - L4: N3t_Ct - L5: N3t_Ct-H - L5: N3t_Ct-NonDe - L5: N3t_Ct-OneDe - L4: N3t_N3t - L3: N5t_R - L2: Sd_R - L3: Sd_Cdd - L4: Sd_Cdd-S2d - L3: Sd_Cd - L4: Sd_Cds-HH - L4: Sd_Cds-CsH - L4: Sd_Cds-OsH - L4: Sd_Cds-OsCs - L4: Sd_Cds-CsCs - L4: Sd_Cds-OneDeH - L5: Sd_Cds-CtH - L5: Sd_Cds-CbH - L5: Sd_Cds-COH - L5: Sd_Cds-CdH - L5: Sd_Cds-C=SH - L4: Sd_Cds-OneDeCs - L5: Sd_Cds-CtCs - L5: Sd_Cds-CbCs - L5: Sd_Cds-COCs - L5: Sd_Cds-CdCs - L5: Sd_Cds-C=SCs - L4: Sd_Cds-TwoDe - L5: Sd_Cds-CtCt - L5: Sd_Cds-CtCb - L5: Sd_Cds-CtCO - L5: Sd_Cds-CbCb - L5: Sd_Cds-CbCO - L5: Sd_Cds-COCO - L5: Sd_Cds-CdCt - L5: Sd_Cds-CdCb - L5: Sd_Cds-CdCO - L5: Sd_Cds-CtC=S - L5: Sd_Cds-CbC=S - L5: Sd_Cds-COC=S - L5: Sd_Cds-CdCd - L5: Sd_Cds-CdC=S - L5: Sd_Cds-C=SC=S -L1: YJ - L2: HJ - L2: Y_1centerquadrad - L3: C_quintet - L3: C_triplet - L2: Y_1centertrirad - L3: N_atom_quartet - L3: N_atom_doublet - L3: CH_quartet - L3: CH_doublet - L2: Y_1centerbirad - L3: O_atom_triplet - L3: SJJ - L3: CH2_triplet - L3: CO_birad - L3: NH_triplet - L2: CJ - L3: CbJ - L3: CtJ - L4: CtJ_Ct - L4: CtJ_N3t - L3: C2b - L3: C=SJ - L4: C=SJ-H - L4: C=SJ-Cs - L4: C=SJ-Ct - L4: C=SJ-Cb - L4: C=SJ-CO - L4: C=SJ-O2s - L4: C=SJ-S2s - L4: C=SJ-Cd - L4: C=SJ-C=S - L3: CO_rad - L4: CO_pri_rad - L4: CO_sec_rad - L5: CO_rad/NonDe - L5: CO_rad/OneDe - L3: CsJ - L4: CsJ-HHH - L4: CsJ-CsHH - L4: CsJ-CsCsH - L4: CsJ-CsCsCs - L4: CsJ-OsHH - L4: CsJ-OsCsH - L4: CsJ-OsCsCs - L4: CsJ-OsOsH - L4: CsJ-OsOsCs - L4: CsJ-OsOsOs - L4: CsJ-SsHH - L4: CsJ-SsCsH - L4: CsJ-SsCsCs - L4: CsJ-SsSsH - L4: CsJ-SsSsCs - L4: CsJ-SsSsSs - L4: CsJ-NsHH - L4: CsJ-NsCsH - L4: CsJ-OneDe - L5: CsJ-OneDeHH - L6: CsJ-CtHH - L6: CsJ-CbHH - L6: CsJ-COHH - L6: CsJ-CdHH - L7: CsJ-(CdC)HH - L6: CsJ-C=SHH - L5: CsJ-OneDeCsH - L6: CsJ-CtCsH - L6: CsJ-CbCsH - L6: CsJ-COCsH - L6: CsJ-CdCsH - L6: CsJ-C=SCsH - L5: CsJ-OneDeOsH - L5: CsJ-OneDeSsH - L5: CsJ-OneDeCsCs - L6: CsJ-CtCsCs - L6: CsJ-CbCsCs - L6: CsJ-COCsCs - L6: CsJ-CdCsCs - L6: CsJ-C=SCsCs - L5: CsJ-OneDeOsCs - L5: CsJ-OneDeSsCs - L5: CsJ-OneDeOsOs - L5: CsJ-OneDeOsSs - L5: CsJ-OneDeSsSs - L5: CsJ-OneDeNsH - L5: CsJ-OneDeNsCs - L4: CsJ-TwoDe - L5: CsJ-TwoDeH - L6: CsJ-CtCtH - L6: CsJ-CtCbH - L6: CsJ-CtCOH - L6: CsJ-CbCbH - L6: CsJ-CbCOH - L6: CsJ-COCOH - L6: CsJ-CdCtH - L6: CsJ-CdCbH - L6: CsJ-CdCOH - L6: CsJ-CtC=SH - L6: CsJ-CbC=SH - L6: CsJ-COC=SH - L6: CsJ-CdCdH - L6: CsJ-CdC=SH - L6: CsJ-C=SC=SH - L5: CsJ-TwoDeCs - L6: CsJ-CtCtCs - L6: CsJ-CtCbCs - L6: CsJ-CtCOCs - L6: CsJ-CbCbCs - L6: CsJ-CbCOCs - L6: CsJ-COCOCs - L6: CsJ-CdCtCs - L6: CsJ-CdCbCs - L6: CsJ-CdCOCs - L6: CsJ-CtC=SCs - L6: CsJ-CbC=SCs - L6: CsJ-COC=SCs - L6: CsJ-CdCdCs - L6: CsJ-CdC=SCs - L6: CsJ-C=SC=SCs - L5: CsJ-TwoDeOs - L5: CsJ-TwoDeSs - L4: CsJ-ThreeDe - L3: CdsJ=Cdd - L3: CdsJ - L4: CdsJ-H - L5: CdsJ-(CdCb)H - L4: CdsJ-Cs - L4: CdsJ-Ct - L4: CdsJ-Cb - L4: CdsJ-CO - L4: CdsJ-O2s - L4: CdsJ-S2s - L4: CdsJ-Cd - L4: CdsJ-C=S - L2: OJ - L3: OJ_pri - L3: OJ_sec - L4: OJ-NonDe - L5: O_rad/NonDe - L6: OJ-Cs - L6: OJ-O2s - L5: OJ-Ns - L4: OJ-OneDe - L5: O_rad/OneDe - L5: OJ-OneDeN - L6: OJ-NO - L3: O2b - L2: SJ - L3: SsJ - L4: SsJ-H - L4: SsJ-Cs - L4: SsJ-S2s - L4: SsJ-OneDe - L5: SsJ-Ct - L5: SsJ-Cb - L5: SsJ-CO - L5: SsJ-Cd - L5: SsJ-C=S - L2: NJ - L3: N3J - L4: N3sJ - L5: NH2J - L5: N3sJ-NonDeH - L6: N3sJ-CsH - L6: N3sJ-OsH - L6: N3sJ-NsH - L5: N3sJ-NonDe2 - L5: N3sJ-OneDeH - L5: N3sJ-OneDeCs - L5: N3sJ-TwoDe - L4: N3dJ - L5: N3dJ_C - L5: N3dJ_O - L5: N3dJ_N +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r1 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1214, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R", + group = """ +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r1 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} +13 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, ) -forbidden( - label = "O2d", +entry( + index = 1215, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R", group = """ -1 *1 O u0 {2,D} -2 *2 O u0 {1,D} +1 *1 C u0 {2,D} {8,S} {9,S} +2 *2 C u0 {1,D} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {13,[S,D,T,B,Q]} +9 C u0 r0 {1,S} {14,[S,D,T,B,Q]} +10 C u0 r1 {2,[S,D,T,B,Q]} {11,B} +11 C ux r1 {10,B} +12 C ux {2,[S,D,T,B,Q]} +13 C u0 r0 {8,[S,D,T,B,Q]} +14 R!H ux {9,[S,D,T,B,Q]} """, - shortDesc = u"""""", - longDesc = -u""" + kinetics = None, +) + +entry( + index = 1216, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {13,D} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r1 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux r1 {10,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} +13 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1217, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {13,T} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r1 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux r1 {10,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} +13 C ux {8,T} +""", + kinetics = None, +) + +entry( + index = 1218, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r1 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1219, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R_Ext-9R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} {9,S} +2 *2 C u0 r0 {1,D} {10,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {12,[S,D,T,B,Q]} +9 C u0 r0 {1,S} {13,[S,D,T,B,Q]} +10 C u0 r1 {2,S} {11,B} +11 C u0 r1 {10,B} +12 C u0 r0 {8,[S,D,T,B,Q]} +13 R!H ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1220, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R_Sp-12R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,D} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r1 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux r1 {10,[S,D,T,B,Q]} +12 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1221, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R_N-Sp-12R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,T} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r1 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux r1 {10,[S,D,T,B,Q]} +12 C ux {8,T} +""", + kinetics = None, +) + +entry( + index = 1222, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r0 {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1223, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r0 {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1224, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +13 C ux {12,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1225, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {14,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +13 C ux {12,[S,D,T,B,Q]} +14 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1226, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_Ext-9R!H-R", + group = +""" +1 *1 C u0 r0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,[D,T,B]} {10,S} {12,S} +3 *3 C u1 r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,[S,D,T,B,Q]} {5,D} +5 C u0 r0 {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {14,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} {15,[S,D,T,B,Q]} +10 C ux r0 {2,S} {11,[S,D,T,B,Q]} +11 C u0 {10,[S,D,T,B,Q]} +12 C u0 r0 {2,S} {13,[S,D,T,B,Q]} +13 C ux {12,[S,D,T,B,Q]} +14 C u0 r0 {8,[S,D,T,B,Q]} +15 R!H ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1227, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_Sp-14R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {14,D} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +13 C ux {12,[S,D,T,B,Q]} +14 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1228, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_N-Sp-14R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {14,T} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +13 C ux {12,[S,D,T,B,Q]} +14 C ux {8,T} +""", + kinetics = None, +) + +entry( + index = 1229, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} +13 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1230, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {13,D} +9 C ux {1,[S,D,T,B,Q]} {14,D} +10 C ux r0 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} +13 C ux {8,D} +14 C u0 {9,D} +""", + kinetics = None, +) + +entry( + index = 1231, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-11R!H=10R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {13,D} +9 C ux {1,[S,D,T,B,Q]} {14,D} +10 C ux r0 {2,[S,D,T,B,Q]} {11,D} +11 C ux {10,D} +12 C ux {2,[S,D,T,B,Q]} +13 C ux {8,D} +14 C u0 r0 {9,D} +""", + kinetics = None, +) + +entry( + index = 1232, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-11R!H=10R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {13,D} +9 C ux {1,[S,D,T,B,Q]} {14,D} +10 C ux r0 {2,[S,D,T,B,Q]} {11,T} +11 C ux {10,T} +12 C ux {2,[S,D,T,B,Q]} +13 C ux {8,D} +14 C u0 r0 {9,D} +""", + kinetics = None, +) + +entry( + index = 1233, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} {8,S} {9,S} +2 *2 C u0 {1,D} {10,S} {12,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {13,D} +9 C u0 {1,S} +10 C u0 r0 {2,S} {11,[S,D,T,B,Q]} +11 C u0 {10,[S,D,T,B,Q]} +12 C u0 {2,S} +13 C u0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1234, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_Sp-11R!H=10R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} {9,S} +2 *2 C u0 r0 {1,D} {10,S} {12,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {13,D} +9 C u0 r0 {1,S} +10 C u0 r0 {2,S} {11,D} +11 C u0 r0 {10,D} +12 C u0 r0 {2,S} +13 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1235, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_N-Sp-11R!H=10R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} {9,S} +2 *2 C u0 r0 {1,D} {10,S} {12,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {13,D} +9 C u0 r0 {1,S} +10 C u0 r0 {2,S} {11,T} +11 C u0 r0 {10,T} +12 C u0 r0 {2,S} +13 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1236, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} {8,S} {9,S} +2 *2 C u0 {1,D} {10,S} {12,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {13,T} +9 C u0 {1,S} +10 C u0 r0 {2,S} {11,[S,D,T,B,Q]} +11 C u0 {10,[S,D,T,B,Q]} +12 C u0 {2,S} +13 C u0 {8,T} +""", + kinetics = None, +) + +entry( + index = 1237, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_Sp-11R!H=10R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} {9,S} +2 *2 C u0 r0 {1,D} {10,S} {12,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {13,T} +9 C u0 r0 {1,S} +10 C u0 r0 {2,S} {11,D} +11 C u0 r0 {10,D} +12 C u0 r0 {2,S} +13 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 1238, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_N-Sp-11R!H=10R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} {9,S} +2 *2 C u0 r0 {1,D} {10,S} {12,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {13,T} +9 C u0 r0 {1,S} +10 C u0 r0 {2,S} {11,T} +11 C u0 r0 {10,T} +12 C u0 r0 {2,S} +13 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 1239, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Sp-11R!H=10R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r0 {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,D} +11 C ux {10,D} +12 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1240, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-Sp-11R!H=10R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r0 {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,T} +11 C ux {10,T} +12 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1241, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,D} +11 C ux {10,D} +""", + kinetics = None, +) + +entry( + index = 1242, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,D} +11 C ux {10,D} +12 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1243, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,D} +11 C ux {10,D} +12 C u0 r0 {8,[S,D,T,B,Q]} +13 R!H ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1244, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,D} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,D} +11 C ux {10,D} +12 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1245, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,T} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,D} +11 C ux {10,D} +12 C ux {8,T} +""", + kinetics = None, +) + +entry( + index = 1246, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,T} +11 C ux {10,T} +""", + kinetics = None, +) + +entry( + index = 1247, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,T} +11 C ux {10,T} +12 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1248, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,T} +11 C ux {10,T} +12 C u0 r0 {8,[S,D,T,B,Q]} +13 R!H ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1249, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,D} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,T} +11 C ux {10,T} +12 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1250, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,T} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,T} +11 C ux {10,T} +12 C ux {8,T} +""", + kinetics = None, +) + +entry( + index = 1251, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1252, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 R!H ux {2,[S,D,T,B,Q]} +12 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1253, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 R!H ux {2,[S,D,T,B,Q]} +12 C u0 r0 {8,[S,D,T,B,Q]} +13 R!H ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1254, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,D} +9 C ux {1,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 R!H ux {2,[S,D,T,B,Q]} +12 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1255, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,T} +9 C ux {1,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 R!H ux {2,[S,D,T,B,Q]} +12 C ux {8,T} +""", + kinetics = None, +) + +entry( + index = 1256, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-10R!H-2R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {2,S} +""", + kinetics = None, +) + +entry( + index = 1257, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {2,S} +11 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1258, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +10 C ux r0 {2,S} +11 C u0 r0 {8,[S,D,T,B,Q]} +12 R!H ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1259, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,D} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {2,S} +11 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1260, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,T} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {2,S} +11 C ux {8,T} +""", + kinetics = None, +) + +entry( + index = 1261, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-10R!H-2R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {2,D} +""", + kinetics = None, +) + +entry( + index = 1262, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {2,D} +11 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1263, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +10 C ux r0 {2,D} +11 C u0 r0 {8,[S,D,T,B,Q]} +12 R!H ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1264, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,D} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {2,D} +11 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1265, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,T} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {2,D} +11 C ux {8,T} +""", + kinetics = None, +) + +entry( + index = 1266, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1267, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-8R!H-R_Ext-9R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} {9,S} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +9 C u0 r0 {1,S} {11,[S,D,T,B,Q]} +10 C u0 r0 {8,[S,D,T,B,Q]} +11 R!H ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1268, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-8R!H-R_Sp-10R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {10,D} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1269, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {10,T} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {8,T} +""", + kinetics = None, +) + +entry( + index = 1270, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r0 {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1271, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r0 {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1272, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r0 {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 C ux {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1273, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r1 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1274, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r1 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1275, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r1 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1276, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r1 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} +13 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1277, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R", + group = +""" +1 *1 C u0 r0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,[D,T,B]} {10,S} {12,S} +3 *3 C u1 r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C u0 r1 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} {14,[S,D,T,B,Q]} +10 C ux r1 {2,S} {11,[S,D,T,B,Q]} +11 C u0 r1 {10,[S,D,T,B,Q]} +12 C u0 r0 {2,S} +13 C u0 r0 {8,[S,D,T,B,Q]} +14 R!H ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1278, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux r1 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {13,D} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r1 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux r1 {10,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} +13 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1279, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux r1 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {13,T} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r1 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux r1 {10,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} +13 C ux {8,T} +""", + kinetics = None, +) + +entry( + index = 1280, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r1 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1281, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r1 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} +13 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1282, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R", + group = +""" +1 *1 C u0 r0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,[D,T,B]} {10,S} {12,S} +3 *3 C u1 r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} {14,[S,D,T,B,Q]} +10 C ux r1 {2,S} {11,[S,D,T,B,Q]} +11 C u0 r1 {10,[S,D,T,B,Q]} +12 C u0 r0 {2,S} +13 C u0 r0 {8,[S,D,T,B,Q]} +14 R!H ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1283, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {13,D} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r1 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux r1 {10,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} +13 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1284, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {13,T} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r1 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux r1 {10,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} +13 C ux {8,T} +""", + kinetics = None, +) + +entry( + index = 1285, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r1 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1286, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_4R!H-inRing_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r1 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1287, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux r1 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +10 C ux r1 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux r1 {10,[S,D,T,B,Q]} +12 C u0 r0 {8,[S,D,T,B,Q]} +13 R!H ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1288, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_4R!H-inRing_Ext-8R!H-R_Sp-12R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux r1 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,D} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r1 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux r1 {10,[S,D,T,B,Q]} +12 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1289, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_4R!H-inRing_Ext-8R!H-R_N-Sp-12R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux r1 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,T} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r1 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux r1 {10,[S,D,T,B,Q]} +12 C ux {8,T} +""", + kinetics = None, +) + +entry( + index = 1290, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r1 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1291, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_N-4R!H-inRing_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r1 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1292, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +10 C ux r1 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux r1 {10,[S,D,T,B,Q]} +12 C u0 r0 {8,[S,D,T,B,Q]} +13 R!H ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1293, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_N-4R!H-inRing_Ext-8R!H-R_Sp-12R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,D} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r1 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux r1 {10,[S,D,T,B,Q]} +12 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1294, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_N-4R!H-inRing_Ext-8R!H-R_N-Sp-12R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,T} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r1 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux r1 {10,[S,D,T,B,Q]} +12 C ux {8,T} +""", + kinetics = None, +) + +entry( + index = 1295, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r0 {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1296, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r0 {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1297, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +13 C ux {12,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1298, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +13 C ux {12,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1299, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_4R!H-inRing_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {14,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +13 C ux {12,[S,D,T,B,Q]} +14 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1300, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R", + group = +""" +1 *1 C u0 {2,D} {8,S} {9,S} +2 *2 C u0 {1,D} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux r1 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {14,[S,D,T,B,Q]} +9 C u0 r0 {1,S} {15,[S,D,T,B,Q]} +10 C u0 r0 {2,[S,D,T,B,Q]} {11,D} +11 C ux r0 {10,D} +12 C ux {2,[S,D,T,B,Q]} {13,D} +13 C u0 r0 {12,D} +14 C u0 r0 {8,[S,D,T,B,Q]} +15 R!H ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1301, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_4R!H-inRing_Ext-8R!H-R_Sp-14R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux r1 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {14,D} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +13 C ux {12,[S,D,T,B,Q]} +14 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1302, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_4R!H-inRing_Ext-8R!H-R_N-Sp-14R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux r1 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {14,T} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +13 C ux {12,[S,D,T,B,Q]} +14 C ux {8,T} +""", + kinetics = None, +) + +entry( + index = 1303, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +13 C ux {12,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1304, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_N-4R!H-inRing_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {14,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +13 C ux {12,[S,D,T,B,Q]} +14 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1305, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R", + group = +""" +1 *1 C u0 {2,D} {8,S} {9,S} +2 *2 C u0 {1,D} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {14,[S,D,T,B,Q]} +9 C u0 r0 {1,S} {15,[S,D,T,B,Q]} +10 C u0 r0 {2,[S,D,T,B,Q]} {11,D} +11 C ux r0 {10,D} +12 C ux {2,[S,D,T,B,Q]} {13,D} +13 C u0 r0 {12,D} +14 C u0 r0 {8,[S,D,T,B,Q]} +15 R!H ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1306, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_N-4R!H-inRing_Ext-8R!H-R_Sp-14R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {14,D} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +13 C ux {12,[S,D,T,B,Q]} +14 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1307, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_N-4R!H-inRing_Ext-8R!H-R_N-Sp-14R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {14,T} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +13 C ux {12,[S,D,T,B,Q]} +14 C ux {8,T} +""", + kinetics = None, +) + +entry( + index = 1308, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r0 {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1309, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,D} {8,S} {9,S} +2 *2 C u0 {1,D} {10,S} {12,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {13,[S,D,T,B,Q]} +9 C u0 {1,S} +10 C u0 r0 {2,S} {11,[S,D,T,B,Q]} +11 C u0 {10,[S,D,T,B,Q]} +12 C u0 {2,S} +13 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1310, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R", + group = +""" +1 *1 C u0 {2,D} {8,S} {9,S} +2 *2 C u0 {1,D} {10,S} {12,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {13,D} +9 C u0 {1,S} {14,D} +10 C u0 r0 {2,S} {11,[S,D,T,B,Q]} +11 C u0 {10,[S,D,T,B,Q]} +12 C u0 {2,S} +13 C ux {8,D} +14 C u0 {9,D} +""", + kinetics = None, +) + +entry( + index = 1311, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R_Sp-11R!H=10R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} {9,S} +2 *2 C u0 r0 {1,D} {10,S} {12,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {13,D} +9 C u0 r0 {1,S} {14,D} +10 C u0 r0 {2,S} {11,D} +11 C u0 r0 {10,D} +12 C u0 r0 {2,S} +13 C ux {8,D} +14 C u0 r0 {9,D} +""", + kinetics = None, +) + +entry( + index = 1312, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R_N-Sp-11R!H=10R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} {9,S} +2 *2 C u0 r0 {1,D} {10,S} {12,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {13,D} +9 C u0 r0 {1,S} {14,D} +10 C u0 r0 {2,S} {11,T} +11 C u0 r0 {10,T} +12 C u0 r0 {2,S} +13 C ux {8,D} +14 C u0 r0 {9,D} +""", + kinetics = None, +) + +entry( + index = 1313, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} {8,S} {9,S} +2 *2 C u0 {1,D} {10,S} {12,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {13,D} +9 C u0 {1,S} +10 C u0 r0 {2,S} {11,[S,D,T,B,Q]} +11 C u0 {10,[S,D,T,B,Q]} +12 C u0 {2,S} +13 C u0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1314, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H_Sp-11R!H=10R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} {9,S} +2 *2 C u0 r0 {1,D} {10,S} {12,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {13,D} +9 C u0 r0 {1,S} +10 C u0 r0 {2,S} {11,D} +11 C u0 r0 {10,D} +12 C u0 r0 {2,S} +13 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1315, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H_N-Sp-11R!H=10R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} {9,S} +2 *2 C u0 r0 {1,D} {10,S} {12,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {13,D} +9 C u0 r0 {1,S} +10 C u0 r0 {2,S} {11,T} +11 C u0 r0 {10,T} +12 C u0 r0 {2,S} +13 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1316, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} {8,S} {9,S} +2 *2 C u0 {1,D} {10,S} {12,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {13,T} +9 C u0 {1,S} +10 C u0 r0 {2,S} {11,[S,D,T,B,Q]} +11 C u0 {10,[S,D,T,B,Q]} +12 C u0 {2,S} +13 C u0 {8,T} +""", + kinetics = None, +) + +entry( + index = 1317, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H_Sp-11R!H=10R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} {9,S} +2 *2 C u0 r0 {1,D} {10,S} {12,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {13,T} +9 C u0 r0 {1,S} +10 C u0 r0 {2,S} {11,D} +11 C u0 r0 {10,D} +12 C u0 r0 {2,S} +13 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 1318, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H_N-Sp-11R!H=10R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} {9,S} +2 *2 C u0 r0 {1,D} {10,S} {12,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {13,T} +9 C u0 r0 {1,S} +10 C u0 r0 {2,S} {11,T} +11 C u0 r0 {10,T} +12 C u0 r0 {2,S} +13 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 1319, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Sp-11R!H=10R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux r1 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r0 {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,D} +11 C ux {10,D} +12 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1320, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_N-Sp-11R!H=10R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux r1 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r0 {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,T} +11 C ux {10,T} +12 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1321, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r0 {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1322, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,D} {8,S} {9,S} +2 *2 C u0 {1,D} {10,S} {12,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {13,[S,D,T,B,Q]} +9 C u0 {1,S} +10 C u0 r0 {2,S} {11,[S,D,T,B,Q]} +11 C u0 {10,[S,D,T,B,Q]} +12 C u0 {2,S} +13 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1323, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R", + group = +""" +1 *1 C u0 {2,D} {8,S} {9,S} +2 *2 C u0 {1,D} {10,S} {12,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {13,D} +9 C u0 {1,S} {14,D} +10 C u0 r0 {2,S} {11,[S,D,T,B,Q]} +11 C u0 {10,[S,D,T,B,Q]} +12 C u0 {2,S} +13 C ux {8,D} +14 C u0 {9,D} +""", + kinetics = None, +) + +entry( + index = 1324, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R_Sp-11R!H=10R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} {9,S} +2 *2 C u0 r0 {1,D} {10,S} {12,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {13,D} +9 C u0 r0 {1,S} {14,D} +10 C u0 r0 {2,S} {11,D} +11 C u0 r0 {10,D} +12 C u0 r0 {2,S} +13 C ux {8,D} +14 C u0 r0 {9,D} +""", + kinetics = None, +) + +entry( + index = 1325, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R_N-Sp-11R!H=10R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} {9,S} +2 *2 C u0 r0 {1,D} {10,S} {12,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {13,D} +9 C u0 r0 {1,S} {14,D} +10 C u0 r0 {2,S} {11,T} +11 C u0 r0 {10,T} +12 C u0 r0 {2,S} +13 C ux {8,D} +14 C u0 r0 {9,D} +""", + kinetics = None, +) + +entry( + index = 1326, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} {8,S} {9,S} +2 *2 C u0 {1,D} {10,S} {12,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {13,D} +9 C u0 {1,S} +10 C u0 r0 {2,S} {11,[S,D,T,B,Q]} +11 C u0 {10,[S,D,T,B,Q]} +12 C u0 {2,S} +13 C u0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1327, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H_Sp-11R!H=10R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} {9,S} +2 *2 C u0 r0 {1,D} {10,S} {12,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {13,D} +9 C u0 r0 {1,S} +10 C u0 r0 {2,S} {11,D} +11 C u0 r0 {10,D} +12 C u0 r0 {2,S} +13 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1328, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H_N-Sp-11R!H=10R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} {9,S} +2 *2 C u0 r0 {1,D} {10,S} {12,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {13,D} +9 C u0 r0 {1,S} +10 C u0 r0 {2,S} {11,T} +11 C u0 r0 {10,T} +12 C u0 r0 {2,S} +13 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1329, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} {8,S} {9,S} +2 *2 C u0 {1,D} {10,S} {12,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {13,T} +9 C u0 {1,S} +10 C u0 r0 {2,S} {11,[S,D,T,B,Q]} +11 C u0 {10,[S,D,T,B,Q]} +12 C u0 {2,S} +13 C u0 {8,T} +""", + kinetics = None, +) + +entry( + index = 1330, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H_Sp-11R!H=10R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} {9,S} +2 *2 C u0 r0 {1,D} {10,S} {12,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {13,T} +9 C u0 r0 {1,S} +10 C u0 r0 {2,S} {11,D} +11 C u0 r0 {10,D} +12 C u0 r0 {2,S} +13 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 1331, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H_N-Sp-11R!H=10R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} {9,S} +2 *2 C u0 r0 {1,D} {10,S} {12,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {13,T} +9 C u0 r0 {1,S} +10 C u0 r0 {2,S} {11,T} +11 C u0 r0 {10,T} +12 C u0 r0 {2,S} +13 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 1332, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Sp-11R!H=10R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r0 {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,D} +11 C ux {10,D} +12 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1333, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_N-Sp-11R!H=10R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r0 {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,T} +11 C ux {10,T} +12 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1334, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1335, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_Sp-11R!H=10R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,D} +11 C ux {10,D} +""", + kinetics = None, +) + +entry( + index = 1336, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,D} +11 C ux {10,D} +12 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1337, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} {9,S} +2 *2 C u0 r0 {1,D} {10,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {12,[S,D,T,B,Q]} +9 C u0 r0 {1,S} {13,[S,D,T,B,Q]} +10 C u0 r0 {2,S} {11,D} +11 C u0 r0 {10,D} +12 C u0 r0 {8,[S,D,T,B,Q]} +13 R!H ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1338, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux r1 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,D} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,D} +11 C ux {10,D} +12 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1339, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux r1 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,T} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,D} +11 C ux {10,D} +12 C ux {8,T} +""", + kinetics = None, +) + +entry( + index = 1340, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_N-Sp-11R!H=10R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,T} +11 C ux {10,T} +""", + kinetics = None, +) + +entry( + index = 1341, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,T} +11 C ux {10,T} +12 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1342, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} {9,S} +2 *2 C u0 r0 {1,D} {10,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {12,[S,D,T,B,Q]} +9 C u0 r0 {1,S} {13,[S,D,T,B,Q]} +10 C u0 r0 {2,S} {11,T} +11 C u0 r0 {10,T} +12 C u0 r0 {8,[S,D,T,B,Q]} +13 R!H ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1343, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux r1 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,D} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,T} +11 C ux {10,T} +12 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1344, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux r1 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,T} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,T} +11 C ux {10,T} +12 C ux {8,T} +""", + kinetics = None, +) + +entry( + index = 1345, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1346, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_Sp-11R!H=10R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,D} +11 C ux {10,D} +""", + kinetics = None, +) + +entry( + index = 1347, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,D} +11 C ux {10,D} +12 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1348, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} {9,S} +2 *2 C u0 r0 {1,D} {10,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {12,[S,D,T,B,Q]} +9 C u0 r0 {1,S} {13,[S,D,T,B,Q]} +10 C u0 r0 {2,S} {11,D} +11 C u0 r0 {10,D} +12 C u0 r0 {8,[S,D,T,B,Q]} +13 R!H ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1349, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,D} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,D} +11 C ux {10,D} +12 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1350, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,T} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,D} +11 C ux {10,D} +12 C ux {8,T} +""", + kinetics = None, +) + +entry( + index = 1351, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_N-Sp-11R!H=10R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,T} +11 C ux {10,T} +""", + kinetics = None, +) + +entry( + index = 1352, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,T} +11 C ux {10,T} +12 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1353, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} {9,S} +2 *2 C u0 r0 {1,D} {10,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {12,[S,D,T,B,Q]} +9 C u0 r0 {1,S} {13,[S,D,T,B,Q]} +10 C u0 r0 {2,S} {11,T} +11 C u0 r0 {10,T} +12 C u0 r0 {8,[S,D,T,B,Q]} +13 R!H ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1354, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,D} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,T} +11 C ux {10,T} +12 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1355, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,T} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,T} +11 C ux {10,T} +12 C ux {8,T} +""", + kinetics = None, +) + +entry( + index = 1356, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1357, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1358, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 R!H ux {2,[S,D,T,B,Q]} +12 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1359, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} {9,S} +2 *2 C u0 r0 {1,D} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 r1 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {12,[S,D,T,B,Q]} +9 C u0 r0 {1,S} {13,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 R!H ux {2,[S,D,T,B,Q]} +12 C u0 r0 {8,[S,D,T,B,Q]} +13 R!H ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1360, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Sp-12R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux r1 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,D} +9 C ux {1,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 R!H ux {2,[S,D,T,B,Q]} +12 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1361, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_N-Sp-12R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux r1 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,T} +9 C ux {1,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 R!H ux {2,[S,D,T,B,Q]} +12 C ux {8,T} +""", + kinetics = None, +) + +entry( + index = 1362, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1363, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 R!H ux {2,[S,D,T,B,Q]} +12 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1364, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} {9,S} +2 *2 C u0 r0 {1,D} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {12,[S,D,T,B,Q]} +9 C u0 r0 {1,S} {13,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 R!H ux {2,[S,D,T,B,Q]} +12 C u0 r0 {8,[S,D,T,B,Q]} +13 R!H ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1365, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Sp-12R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,D} +9 C ux {1,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 R!H ux {2,[S,D,T,B,Q]} +12 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1366, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_N-Sp-12R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,T} +9 C ux {1,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 R!H ux {2,[S,D,T,B,Q]} +12 C ux {8,T} +""", + kinetics = None, +) + +entry( + index = 1367, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1368, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_Sp-10R!H-2R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {2,S} +""", + kinetics = None, +) + +entry( + index = 1369, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {2,S} +11 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1370, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} {9,S} +2 *2 C u0 r0 {1,D} {10,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {11,[S,D,T,B,Q]} +9 C u0 r0 {1,S} {12,[S,D,T,B,Q]} +10 C u0 {2,S} +11 C u0 r0 {8,[S,D,T,B,Q]} +12 R!H ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1371, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux r1 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,D} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {2,S} +11 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1372, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux r1 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,T} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {2,S} +11 C ux {8,T} +""", + kinetics = None, +) + +entry( + index = 1373, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H-2R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {2,D} +""", + kinetics = None, +) + +entry( + index = 1374, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {2,D} +11 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1375, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} {9,S} +2 *2 C u0 r0 {1,D} {10,D} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {11,[S,D,T,B,Q]} +9 C u0 r0 {1,S} {12,[S,D,T,B,Q]} +10 C u0 {2,D} +11 C u0 r0 {8,[S,D,T,B,Q]} +12 R!H ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1376, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux r1 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,D} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {2,D} +11 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1377, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux r1 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,T} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {2,D} +11 C ux {8,T} +""", + kinetics = None, +) + +entry( + index = 1378, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1379, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H-2R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {2,S} +""", + kinetics = None, +) + +entry( + index = 1380, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {2,S} +11 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1381, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} {9,S} +2 *2 C u0 r0 {1,D} {10,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {11,[S,D,T,B,Q]} +9 C u0 r0 {1,S} {12,[S,D,T,B,Q]} +10 C u0 {2,S} +11 C u0 r0 {8,[S,D,T,B,Q]} +12 R!H ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1382, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,D} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {2,S} +11 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1383, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,T} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {2,S} +11 C ux {8,T} +""", + kinetics = None, +) + +entry( + index = 1384, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H-2R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {2,D} +""", + kinetics = None, +) + +entry( + index = 1385, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {2,D} +11 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1386, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} {9,S} +2 *2 C u0 r0 {1,D} {10,D} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {11,[S,D,T,B,Q]} +9 C u0 r0 {1,S} {12,[S,D,T,B,Q]} +10 C u0 {2,D} +11 C u0 r0 {8,[S,D,T,B,Q]} +12 R!H ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1387, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,D} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {2,D} +11 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1388, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,T} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {2,D} +11 C ux {8,T} +""", + kinetics = None, +) + +entry( + index = 1389, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1390, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1391, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux r1 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +10 C u0 r0 {8,[S,D,T,B,Q]} +11 R!H ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1392, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing_Ext-8R!H-R_Sp-10R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux r1 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {10,D} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1393, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing_Ext-8R!H-R_N-Sp-10R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux r1 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {10,T} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {8,T} +""", + kinetics = None, +) + +entry( + index = 1394, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1395, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1396, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +10 C u0 r0 {8,[S,D,T,B,Q]} +11 R!H ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1397, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing_Ext-8R!H-R_Sp-10R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {10,D} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1398, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing_Ext-8R!H-R_N-Sp-10R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {10,T} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {8,T} +""", + kinetics = None, +) + +entry( + index = 1399, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 R!H u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1400, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1401, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} +9 R!H ux r1 {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1402, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} +9 R!H ux r1 {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1403, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {11,[S,D,T,B,Q]} +9 R!H ux r1 {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 C u0 {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1404, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {11,D} +9 R!H ux r1 {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1405, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {11,[S,T,Q,B]} +9 R!H ux r1 {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 C u0 r0 {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1406, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +9 C u0 r1 {2,S} +10 C u0 {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1407, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_Sp-10R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {10,D} +9 C u0 r1 {2,S} +10 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1408, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_N-Sp-10R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {10,[S,T,Q,B]} +9 C u0 r1 {2,S} +10 C u0 r0 {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1409, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 R!H ux r0 {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1410, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1411, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H", + group = +""" +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1412, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1413, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,S} {11,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,S} +9 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +11 C u0 {2,S} {12,[S,D,T,B,Q]} +12 C ux {11,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1414, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,S} {11,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,S} {13,[S,D,T,B,Q]} +9 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +11 C u0 {2,S} {12,[S,D,T,B,Q]} +12 C ux {11,[S,D,T,B,Q]} +13 C u0 {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1415, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,S} {11,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,S} {13,D} +9 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +10 C u0 r0 {9,[S,D,T,B,Q]} +11 C u0 r0 {2,S} {12,[S,D,T,B,Q]} +12 C ux {11,[S,D,T,B,Q]} +13 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1416, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,S} {11,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,S} {13,[S,T,Q,B]} +9 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +10 C u0 r0 {9,[S,D,T,B,Q]} +11 C u0 r0 {2,S} {12,[S,D,T,B,Q]} +12 C ux {11,[S,D,T,B,Q]} +13 C u0 r0 {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1417, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} +12 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1418, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,D} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} +12 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1419, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,D} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +11 C ux {2,[S,D,T,B,Q]} +12 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1420, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_N-Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,D} +9 C ux r0 {2,[S,D,T,B,Q]} {10,T} +10 C ux {9,T} +11 C ux {2,[S,D,T,B,Q]} +12 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1421, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,[S,T,Q,B]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} +12 C ux {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1422, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,[S,T,Q,B]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +11 C ux {2,[S,D,T,B,Q]} +12 C ux {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1423, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_N-Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,[S,T,Q,B]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,T} +10 C ux {9,T} +11 C ux {2,[S,D,T,B,Q]} +12 C ux {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1424, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +11 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1425, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,T} +10 C ux {9,T} +11 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1426, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1427, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,D} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1428, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,D} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +11 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1429, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,D} +9 C ux r0 {2,[S,D,T,B,Q]} {10,T} +10 C ux {9,T} +11 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1430, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,[S,T,Q,B]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1431, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,[S,T,Q,B]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +11 C ux {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1432, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,[S,T,Q,B]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,T} +10 C ux {9,T} +11 C ux {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1433, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +""", + kinetics = None, +) + +entry( + index = 1434, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_N-Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,T} +10 C ux {9,T} +""", + kinetics = None, +) + +entry( + index = 1435, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H", + group = +""" +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {9,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1436, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {9,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +""", + kinetics = None, +) + +entry( + index = 1437, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {9,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +11 C u0 {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1438, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,T} {9,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,[S,D,T,B,Q]} {11,D} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +11 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1439, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,T} {9,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,[S,D,T,B,Q]} {11,[S,T,Q,B]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +11 C u0 r0 {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1440, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {9,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,T} +10 C ux {9,T} +""", + kinetics = None, +) + +entry( + index = 1441, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {9,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,T} +10 C ux {9,T} +11 C u0 {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1442, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,T} {9,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,[S,D,T,B,Q]} {11,D} +9 C ux r0 {2,[S,D,T,B,Q]} {10,T} +10 C ux {9,T} +11 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1443, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,T} {9,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,[S,D,T,B,Q]} {11,[S,T,Q,B]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,T} +10 C ux {9,T} +11 C u0 r0 {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1444, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H", + group = +""" +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 R!H ux r0 {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1445, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,S} +9 R!H ux r0 {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1446, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,S} +9 R!H ux r0 {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1447, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,S} {11,[S,D,T,B,Q]} +9 R!H ux r0 {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 C u0 {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1448, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,S} {11,D} +9 R!H ux r0 {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1449, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,S} {11,[S,T,Q,B]} +9 R!H ux r0 {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 C u0 r0 {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1450, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,S} {10,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} +10 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1451, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,S} {10,D} +9 C ux r0 {2,[S,D,T,B,Q]} +10 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1452, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_Sp-9R!H-2R!H", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,S} {10,D} +9 C ux r0 {2,S} +10 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1453, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_N-Sp-9R!H-2R!H", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,S} {10,D} +9 C ux r0 {2,D} +10 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1454, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,S} {10,[S,T,Q,B]} +9 C ux r0 {2,[S,D,T,B,Q]} +10 C ux {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1455, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_Sp-9R!H-2R!H", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,S} {10,[S,T,Q,B]} +9 C ux r0 {2,S} +10 C ux {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1456, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_N-Sp-9R!H-2R!H", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,S} {10,[S,T,Q,B]} +9 C ux r0 {2,D} +10 C ux {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1457, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Sp-9R!H-2R!H", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,S} +9 C ux r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 1458, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_N-Sp-9R!H-2R!H", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,S} +9 C ux r0 {2,D} +""", + kinetics = None, +) + +entry( + index = 1459, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H", + group = +""" +1 *1 C u0 {2,D} {8,D} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,D} +9 R!H ux r0 {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1460, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,D} {8,D} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,D} +9 R!H ux r0 {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1461, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H", + group = +""" +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1462, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} +10 C u0 {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1463, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-10R!H=8R!H", + group = +""" +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {10,D} +9 C ux r0 {2,[S,D,T,B,Q]} +10 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1464, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H", + group = +""" +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {10,[S,T,Q,B]} +9 C ux r0 {2,[S,D,T,B,Q]} +10 C u0 r0 {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1465, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-2R!H=1R!H", + group = +""" +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 R!H u0 {1,D} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1466, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1467, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {9,[S,D,T,B,Q]} +9 C u0 {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1468, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {9,D} +9 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1469, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {9,[S,T,Q,B]} +9 C u0 r0 {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1470, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,D} +2 *2 R!H u0 {1,D} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 1471, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H", + group = +""" +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1472, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C u0 {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1473, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {9,D} +9 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1474, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {9,[S,T,Q,B]} +9 C u0 r0 {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1475, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 R!H u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1476, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1477, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 R!H ux r1 {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1478, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 R!H ux r1 {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1479, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +9 R!H ux r1 {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1480, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,D} +9 R!H ux r1 {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1481, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,D} +9 R!H ux r1 {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1482, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,D} +9 R!H ux r1 {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1483, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,[S,T,Q,B]} +9 R!H ux r1 {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 C ux {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1484, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,[S,T,Q,B]} +9 R!H ux r1 {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 C ux {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1485, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,[S,T,Q,B]} +9 R!H ux r1 {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 C ux {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1486, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 R!H ux r1 {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1487, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 R!H ux r1 {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1488, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +9 C ux r1 {2,[S,D,T,B,Q]} +10 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1489, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,B} +5 C ux {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +9 C ux r1 {2,[S,D,T,B,Q]} +10 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1490, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_4R!H-inRing_Sp-10R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,B} +5 C ux r1 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {10,D} +9 C ux r1 {2,[S,D,T,B,Q]} +10 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1491, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_4R!H-inRing_N-Sp-10R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,B} +5 C ux r1 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {10,T} +9 C ux r1 {2,[S,D,T,B,Q]} +10 C ux {8,T} +""", + kinetics = None, +) + +entry( + index = 1492, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,T} +5 C ux {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +9 C ux r1 {2,[S,D,T,B,Q]} +10 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1493, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_N-4R!H-inRing_Sp-10R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,T} +5 C ux r0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {10,D} +9 C ux r1 {2,[S,D,T,B,Q]} +10 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1494, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_N-4R!H-inRing_N-Sp-10R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,T} +5 C ux r0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {10,T} +9 C ux r1 {2,[S,D,T,B,Q]} +10 C ux {8,T} +""", + kinetics = None, +) + +entry( + index = 1495, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux r1 {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1496, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux r1 {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1497, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 R!H ux r0 {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1498, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1499, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H", + group = +""" +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1500, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1501, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R", + group = +""" +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +12 C ux {11,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1502, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +11 C ux {2,[S,D,T,B,Q]} {12,D} +12 C u0 {11,D} +13 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1503, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,[S,D,T,B,Q]} {13,D} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +11 C ux {2,[S,D,T,B,Q]} {12,D} +12 C u0 {11,D} +13 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1504, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,[S,D,T,B,Q]} {13,D} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +11 C ux {2,[S,D,T,B,Q]} {12,D} +12 C u0 r0 {11,D} +13 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1505, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,[S,D,T,B,Q]} {13,D} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +11 C ux {2,[S,D,T,B,Q]} {12,D} +12 C u0 r0 {11,D} +13 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1506, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,[S,D,T,B,Q]} {13,[S,T,Q,B]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +11 C ux {2,[S,D,T,B,Q]} {12,D} +12 C u0 {11,D} +13 C ux {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1507, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,[S,D,T,B,Q]} {13,[S,T,Q,B]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +11 C ux {2,[S,D,T,B,Q]} {12,D} +12 C u0 r0 {11,D} +13 C ux {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1508, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,[S,D,T,B,Q]} {13,[S,T,Q,B]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +11 C ux {2,[S,D,T,B,Q]} {12,D} +12 C u0 r0 {11,D} +13 C ux {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1509, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +12 C ux {11,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1510, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +12 C ux {11,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1511, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {12,[S,D,T,B,Q]} +9 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +11 C u0 {2,S} +12 C u0 {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1512, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {12,D} +9 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +11 C u0 {2,S} +12 C u0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1513, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {12,D} +9 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +11 C u0 {2,S} +12 C u0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1514, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_4R!H-inRing_Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {12,D} +9 C u0 r0 {2,S} {10,D} +10 C u0 r0 {9,D} +11 C u0 r0 {2,S} +12 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1515, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_4R!H-inRing_N-Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {12,D} +9 C u0 r0 {2,S} {10,T} +10 C u0 r0 {9,T} +11 C u0 r0 {2,S} +12 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1516, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {12,D} +9 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +11 C u0 {2,S} +12 C u0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1517, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_N-4R!H-inRing_Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {12,D} +9 C u0 r0 {2,S} {10,D} +10 C u0 r0 {9,D} +11 C u0 r0 {2,S} +12 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1518, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_N-4R!H-inRing_N-Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {12,D} +9 C u0 r0 {2,S} {10,T} +10 C u0 r0 {9,T} +11 C u0 r0 {2,S} +12 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1519, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {12,[S,T,Q,B]} +9 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +11 C u0 {2,S} +12 C u0 {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1520, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {12,T} +9 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +11 C u0 {2,S} +12 C u0 {8,T} +""", + kinetics = None, +) + +entry( + index = 1521, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_4R!H-inRing_Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {12,T} +9 C u0 r0 {2,S} {10,D} +10 C u0 r0 {9,D} +11 C u0 r0 {2,S} +12 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 1522, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_4R!H-inRing_N-Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {12,T} +9 C u0 r0 {2,S} {10,T} +10 C u0 r0 {9,T} +11 C u0 r0 {2,S} +12 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 1523, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {12,T} +9 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +11 C u0 {2,S} +12 C u0 {8,T} +""", + kinetics = None, +) + +entry( + index = 1524, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_N-4R!H-inRing_Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {12,T} +9 C u0 r0 {2,S} {10,D} +10 C u0 r0 {9,D} +11 C u0 r0 {2,S} +12 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 1525, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_N-4R!H-inRing_N-Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {12,T} +9 C u0 r0 {2,S} {10,T} +10 C u0 r0 {9,T} +11 C u0 r0 {2,S} +12 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 1526, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} +9 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +11 C u0 {2,S} +""", + kinetics = None, +) + +entry( + index = 1527, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing_Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} +9 C u0 r0 {2,S} {10,D} +10 C u0 r0 {9,D} +11 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 1528, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} +9 C u0 r0 {2,S} {10,T} +10 C u0 r0 {9,T} +11 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 1529, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} +9 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +11 C u0 {2,S} +""", + kinetics = None, +) + +entry( + index = 1530, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} +9 C u0 r0 {2,S} {10,D} +10 C u0 r0 {9,D} +11 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 1531, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} +9 C u0 r0 {2,S} {10,T} +10 C u0 r0 {9,T} +11 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 1532, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {11,[S,D,T,B,Q]} +9 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +11 C u0 {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1533, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {11,D} +9 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +11 C u0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1534, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {11,D} +9 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +11 C u0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1535, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_4R!H-inRing_Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {11,D} +9 C u0 r0 {2,S} {10,D} +10 C u0 r0 {9,D} +11 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1536, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_4R!H-inRing_N-Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {11,D} +9 C u0 r0 {2,S} {10,T} +10 C u0 r0 {9,T} +11 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1537, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {11,D} +9 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +11 C u0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1538, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing_Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {11,D} +9 C u0 r0 {2,S} {10,D} +10 C u0 r0 {9,D} +11 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1539, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing_N-Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {11,D} +9 C u0 r0 {2,S} {10,T} +10 C u0 r0 {9,T} +11 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1540, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {11,[S,T,Q,B]} +9 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +11 C u0 {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1541, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {11,T} +9 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +11 C u0 {8,T} +""", + kinetics = None, +) + +entry( + index = 1542, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing_Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {11,T} +9 C u0 r0 {2,S} {10,D} +10 C u0 r0 {9,D} +11 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 1543, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing_N-Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {11,T} +9 C u0 r0 {2,S} {10,T} +10 C u0 r0 {9,T} +11 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 1544, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {11,T} +9 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +11 C u0 {8,T} +""", + kinetics = None, +) + +entry( + index = 1545, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing_Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {11,T} +9 C u0 r0 {2,S} {10,D} +10 C u0 r0 {9,D} +11 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 1546, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing_N-Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {11,T} +9 C u0 r0 {2,S} {10,T} +10 C u0 r0 {9,T} +11 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 1547, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} +9 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1548, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_4R!H-inRing_Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} +9 C u0 r0 {2,S} {10,D} +10 C u0 r0 {9,D} +""", + kinetics = None, +) + +entry( + index = 1549, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_4R!H-inRing_N-Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} +9 C u0 r0 {2,S} {10,T} +10 C u0 r0 {9,T} +""", + kinetics = None, +) + +entry( + index = 1550, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} +9 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1551, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_N-4R!H-inRing_Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} +9 C u0 r0 {2,S} {10,D} +10 C u0 r0 {9,D} +""", + kinetics = None, +) + +entry( + index = 1552, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_N-4R!H-inRing_N-Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} +9 C u0 r0 {2,S} {10,T} +10 C u0 r0 {9,T} +""", + kinetics = None, +) + +entry( + index = 1553, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H", + group = +""" +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1554, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +""", + kinetics = None, +) + +entry( + index = 1555, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,T} {8,S} +2 *2 C u0 {1,T} {9,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,S} {11,[S,D,T,B,Q]} +9 C u0 r0 {2,S} {10,D} +10 C u0 {9,D} +11 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1556, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H", + group = +""" +1 *1 C u0 {2,T} {8,S} +2 *2 C u0 {1,T} {9,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,S} {11,D} +9 C u0 r0 {2,S} {10,D} +10 C u0 {9,D} +11 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1557, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,T} {8,S} +2 *2 C u0 {1,T} {9,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,S} {11,D} +9 C u0 r0 {2,S} {10,D} +10 C u0 r0 {9,D} +11 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1558, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,T} {8,S} +2 *2 C u0 {1,T} {9,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,S} {11,D} +9 C u0 r0 {2,S} {10,D} +10 C u0 r0 {9,D} +11 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1559, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H", + group = +""" +1 *1 C u0 {2,T} {8,S} +2 *2 C u0 {1,T} {9,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,S} {11,[S,T,Q,B]} +9 C u0 r0 {2,S} {10,D} +10 C u0 {9,D} +11 C ux {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1560, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,T} {8,S} +2 *2 C u0 {1,T} {9,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,S} {11,[S,T,Q,B]} +9 C u0 r0 {2,S} {10,D} +10 C u0 r0 {9,D} +11 C ux {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1561, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,T} {8,S} +2 *2 C u0 {1,T} {9,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,S} {11,[S,T,Q,B]} +9 C u0 r0 {2,S} {10,D} +10 C u0 r0 {9,D} +11 C ux {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1562, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +""", + kinetics = None, +) + +entry( + index = 1563, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +""", + kinetics = None, +) + +entry( + index = 1564, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,T} +10 C ux {9,T} +""", + kinetics = None, +) + +entry( + index = 1565, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,T} {8,S} +2 *2 C u0 {1,T} {9,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,S} {11,[S,D,T,B,Q]} +9 C u0 r0 {2,S} {10,T} +10 C u0 {9,T} +11 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1566, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H", + group = +""" +1 *1 C u0 {2,T} {8,S} +2 *2 C u0 {1,T} {9,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,S} {11,D} +9 C u0 r0 {2,S} {10,T} +10 C u0 {9,T} +11 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1567, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,T} {8,S} +2 *2 C u0 {1,T} {9,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,S} {11,D} +9 C u0 r0 {2,S} {10,T} +10 C u0 r0 {9,T} +11 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1568, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,T} {8,S} +2 *2 C u0 {1,T} {9,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,S} {11,D} +9 C u0 r0 {2,S} {10,T} +10 C u0 r0 {9,T} +11 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1569, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H", + group = +""" +1 *1 C u0 {2,T} {8,S} +2 *2 C u0 {1,T} {9,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,S} {11,[S,T,Q,B]} +9 C u0 r0 {2,S} {10,T} +10 C u0 {9,T} +11 C ux {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1570, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,T} {8,S} +2 *2 C u0 {1,T} {9,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,S} {11,[S,T,Q,B]} +9 C u0 r0 {2,S} {10,T} +10 C u0 r0 {9,T} +11 C ux {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1571, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,T} {8,S} +2 *2 C u0 {1,T} {9,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,S} {11,[S,T,Q,B]} +9 C u0 r0 {2,S} {10,T} +10 C u0 r0 {9,T} +11 C ux {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1572, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,T} +10 C ux {9,T} +""", + kinetics = None, +) + +entry( + index = 1573, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,T} +10 C ux {9,T} +""", + kinetics = None, +) + +entry( + index = 1574, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H", + group = +""" +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 R!H ux r0 {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1575, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,S} +9 R!H ux r0 {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1576, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,S} +9 R!H ux r0 {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1577, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {11,[S,D,T,B,Q]} +9 R!H ux r0 {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1578, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {11,D} +9 R!H ux r0 {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1579, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {11,D} +9 R!H ux r0 {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1580, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {11,D} +9 R!H ux r0 {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1581, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {11,[S,T,Q,B]} +9 R!H ux r0 {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 C ux {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1582, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {11,[S,T,Q,B]} +9 R!H ux r0 {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 C ux {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1583, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {11,[S,T,Q,B]} +9 R!H ux r0 {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 C ux {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1584, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,S} +9 R!H ux r0 {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1585, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,S} +9 R!H ux r0 {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1586, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +9 C u0 r0 {2,[S,D,T,B,Q]} +10 C u0 {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1587, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {10,D} +9 C u0 r0 {2,[S,D,T,B,Q]} +10 C u0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1588, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {10,D} +9 C u0 r0 {2,[S,D,T,B,Q]} +10 C u0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1589, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_4R!H-inRing_Sp-9R!H-2R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {10,D} +9 C u0 r0 {2,S} +10 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1590, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_4R!H-inRing_N-Sp-9R!H-2R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,D} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {10,D} +9 C u0 r0 {2,D} +10 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1591, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {10,D} +9 C u0 r0 {2,[S,D,T,B,Q]} +10 C u0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1592, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_N-4R!H-inRing_Sp-9R!H-2R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {10,D} +9 C u0 r0 {2,S} +10 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1593, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_N-4R!H-inRing_N-Sp-9R!H-2R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,D} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {10,D} +9 C u0 r0 {2,D} +10 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1594, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {10,[S,T,Q,B]} +9 C u0 r0 {2,[S,D,T,B,Q]} +10 C u0 {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1595, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {10,T} +9 C u0 r0 {2,[S,D,T,B,Q]} +10 C u0 {8,T} +""", + kinetics = None, +) + +entry( + index = 1596, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_4R!H-inRing_Sp-9R!H-2R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {10,T} +9 C u0 r0 {2,S} +10 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 1597, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_4R!H-inRing_N-Sp-9R!H-2R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,D} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {10,T} +9 C u0 r0 {2,D} +10 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 1598, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {10,T} +9 C u0 r0 {2,[S,D,T,B,Q]} +10 C u0 {8,T} +""", + kinetics = None, +) + +entry( + index = 1599, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_N-4R!H-inRing_Sp-9R!H-2R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {10,T} +9 C u0 r0 {2,S} +10 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 1600, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_N-4R!H-inRing_N-Sp-9R!H-2R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,D} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {10,T} +9 C u0 r0 {2,D} +10 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 1601, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} +9 C u0 r0 {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1602, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_4R!H-inRing_Sp-9R!H-2R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} +9 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 1603, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_4R!H-inRing_N-Sp-9R!H-2R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,D} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} +9 C u0 r0 {2,D} +""", + kinetics = None, +) + +entry( + index = 1604, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} +9 C u0 r0 {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1605, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_N-4R!H-inRing_Sp-9R!H-2R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} +9 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 1606, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_N-4R!H-inRing_N-Sp-9R!H-2R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,D} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} +9 C u0 r0 {2,D} +""", + kinetics = None, +) + +entry( + index = 1607, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H", + group = +""" +1 *1 C u0 {2,D} {8,D} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,D} +9 R!H ux r0 {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1608, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,D} {8,D} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,D} +9 R!H ux r0 {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1609, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_Ext-2R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {8,D} +2 *2 C u0 r0 {1,D} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,D} +9 R!H ux r0 {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1610, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_Ext-2R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {8,D} +2 *2 C u0 r0 {1,D} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,D} +9 R!H ux r0 {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1611, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {8,D} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,D} +9 C ux r0 {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1612, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {8,D} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,D} +9 C ux r0 {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1613, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H", + group = +""" +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1614, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,T} {8,S} +2 *2 C u0 {1,T} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +9 C u0 r0 {2,S} +10 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1615, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-10R!H=8R!H", + group = +""" +1 *1 C u0 {2,T} {8,S} +2 *2 C u0 {1,T} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {10,D} +9 C u0 r0 {2,S} +10 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1616, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} {8,S} +2 *2 C u0 r0 {1,T} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {10,D} +9 C u0 r0 {2,S} +10 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1617, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} {8,S} +2 *2 C u0 r0 {1,T} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {10,D} +9 C u0 r0 {2,S} +10 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1618, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H", + group = +""" +1 *1 C u0 {2,T} {8,S} +2 *2 C u0 {1,T} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {10,[S,T,Q,B]} +9 C u0 r0 {2,S} +10 C ux {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1619, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} {8,S} +2 *2 C u0 r0 {1,T} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {10,[S,T,Q,B]} +9 C u0 r0 {2,S} +10 C ux {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1620, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} {8,S} +2 *2 C u0 r0 {1,T} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {10,[S,T,Q,B]} +9 C u0 r0 {2,S} +10 C ux {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1621, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1622, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1623, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H", + group = +""" +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 R!H u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1624, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1625, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,S} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1626, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,S} {9,D} +9 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1627, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-9R!H=8R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,S} {9,D} +9 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1628, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-9R!H=8R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,S} {9,D} +9 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1629, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,S} {9,[S,T,Q,B]} +9 C ux {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1630, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,S} {9,[S,T,Q,B]} +9 C ux {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1631, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,S} {9,[S,T,Q,B]} +9 C ux {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1632, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1633, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1634, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H", + group = +""" +1 *1 C u0 {2,D} {8,D} +2 *2 R!H u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 1635, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {8,D} +2 *2 R!H u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 1636, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {8,D} +2 *2 R!H u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 1637, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H", + group = +""" +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1638, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,T} {8,S} +2 *2 C u0 {1,T} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1639, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,T} {8,S} +2 *2 C u0 {1,T} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {9,D} +9 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1640, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-9R!H=8R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} {8,S} +2 *2 C u0 r0 {1,T} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {9,D} +9 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1641, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-9R!H=8R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} {8,S} +2 *2 C u0 r0 {1,T} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {9,D} +9 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1642, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,T} {8,S} +2 *2 C u0 {1,T} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {9,[S,T,Q,B]} +9 C ux {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1643, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} {8,S} +2 *2 C u0 r0 {1,T} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {9,[S,T,Q,B]} +9 C ux {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1644, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} {8,S} +2 *2 C u0 r0 {1,T} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {9,[S,T,Q,B]} +9 C ux {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1645, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1646, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1647, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H", + group = +""" +1 *1 R!H u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1648, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R", + group = +""" +1 *1 R!H u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1649, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1650, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r1 {2,[S,D,T,B,Q]} {9,B} +9 C ux {8,B} +""", + kinetics = None, +) + +entry( + index = 1651, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r1 {2,[S,D,T,B,Q]} {9,B} +9 C ux r1 {8,B} +10 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1652, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1653, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1654, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1655, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-10R!H-R", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {10,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r0 {8,[S,D,T,B,Q]} +10 C u0 r0 {2,S} {11,[S,D,T,B,Q]} +11 R!H ux {10,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1656, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,D} +9 C ux {8,D} +10 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1657, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,T} +9 C ux {8,T} +10 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1658, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,D} +9 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1659, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,T} +9 C ux {8,T} +""", + kinetics = None, +) + +entry( + index = 1660, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} {8,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {2,S} {9,[S,D,T,B,Q]} +9 C u0 {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1661, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,T} +2 *2 C u0 r0 {1,T} {8,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {2,S} {9,D} +9 C u0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1662, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,T} +2 *2 C u0 r0 {1,T} {8,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {2,S} {9,T} +9 C u0 {8,T} +""", + kinetics = None, +) + +entry( + index = 1663, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H", + group = +""" +1 *1 R!H u0 {2,D} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1664, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1665, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_Sp-8R!H-2R!H", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {8,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux {2,S} +""", + kinetics = None, +) + +entry( + index = 1666, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_N-Sp-8R!H-2R!H", + group = +""" +1 *1 R!H u0 {2,D} +2 *2 C u0 {1,D} {8,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux {2,D} +""", + kinetics = None, +) + +entry( + index = 1667, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-2R!H=1R!H", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1668, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1669, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1670, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H", + group = +""" +1 *1 R!H u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1671, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R", + group = +""" +1 *1 R!H u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1672, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1673, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r1 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1674, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {8,S} {10,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r1 {2,S} {9,[S,D,T,B,Q]} +9 C u0 {8,[S,D,T,B,Q]} +10 C u0 {2,S} +""", + kinetics = None, +) + +entry( + index = 1675, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,[D,T,B]} +2 *2 C u0 r0 {1,[D,T,B]} {8,S} {10,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r1 {2,S} {9,[S,D,T,B,Q]} +9 C u0 r1 {8,[S,D,T,B,Q]} +10 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 1676, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,[D,T,B]} +2 *2 C u0 r0 {1,[D,T,B]} {8,S} {10,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r1 {2,S} {9,[S,D,T,B,Q]} +9 C u0 r1 {8,[S,D,T,B,Q]} +10 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 1677, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r1 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1678, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r1 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1679, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1680, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {2,S} {9,[S,D,T,B,Q]} +9 C u0 {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1681, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {8,S} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {2,S} {9,[S,D,T,B,Q]} +9 C u0 {8,[S,D,T,B,Q]} +10 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1682, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-10R!H-R", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {8,S} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {2,S} {9,D} +9 C u0 {8,D} +10 C ux {2,[S,D,T,B,Q]} {11,D} +11 C u0 {10,D} +""", + kinetics = None, +) + +entry( + index = 1683, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-10R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {8,S} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {2,S} {9,D} +9 C u0 {8,D} +10 C ux {2,[S,D,T,B,Q]} {11,D} +11 C u0 r0 {10,D} +""", + kinetics = None, +) + +entry( + index = 1684, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-10R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {8,S} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {2,S} {9,D} +9 C u0 {8,D} +10 C ux {2,[S,D,T,B,Q]} {11,D} +11 C u0 r0 {10,D} +""", + kinetics = None, +) + +entry( + index = 1685, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {2,S} {9,[S,D,T,B,Q]} +9 C u0 {8,[S,D,T,B,Q]} +10 C u0 {2,S} +""", + kinetics = None, +) + +entry( + index = 1686, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {2,S} {9,D} +9 C u0 r0 {8,D} +10 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 1687, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {2,S} {9,T} +9 C u0 r0 {8,T} +10 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 1688, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {2,S} {9,[S,D,T,B,Q]} +9 C u0 {8,[S,D,T,B,Q]} +10 C u0 {2,S} +""", + kinetics = None, +) + +entry( + index = 1689, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {2,S} {9,D} +9 C u0 r0 {8,D} +10 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 1690, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {2,S} {9,T} +9 C u0 r0 {8,T} +10 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 1691, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {2,S} {9,[S,D,T,B,Q]} +9 C u0 {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1692, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_4R!H-inRing_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {2,S} {9,D} +9 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1693, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_4R!H-inRing_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {2,S} {9,T} +9 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 1694, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {2,S} {9,[S,D,T,B,Q]} +9 C u0 {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1695, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_N-4R!H-inRing_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {2,S} {9,D} +9 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1696, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_N-4R!H-inRing_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {2,S} {9,T} +9 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 1697, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1698, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {2,[S,D,T,B,Q]} {9,D} +9 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1699, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Sp-9R!H=8R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {2,[S,D,T,B,Q]} {9,D} +9 C ux r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1700, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Sp-9R!H=8R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {2,[S,D,T,B,Q]} {9,D} +9 C ux r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1701, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {2,[S,D,T,B,Q]} {9,T} +9 C ux {8,T} +""", + kinetics = None, +) + +entry( + index = 1702, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-9R!H=8R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {2,[S,D,T,B,Q]} {9,T} +9 C ux r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 1703, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-9R!H=8R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {2,[S,D,T,B,Q]} {9,T} +9 C ux r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 1704, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H", + group = +""" +1 *1 R!H u0 {2,D} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1705, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1706, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1707, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1708, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_4R!H-inRing", + group = +""" +1 *1 R!H u0 {2,D} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1709, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_4R!H-inRing_Sp-8R!H-2R!H", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 1710, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_4R!H-inRing_N-Sp-8R!H-2R!H", + group = +""" +1 *1 R!H u0 {2,D} +2 *2 C u0 r0 {1,D} {8,D} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux {2,D} +""", + kinetics = None, +) + +entry( + index = 1711, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_N-4R!H-inRing", + group = +""" +1 *1 R!H u0 {2,D} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1712, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_N-4R!H-inRing_Sp-8R!H-2R!H", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 1713, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_N-4R!H-inRing_N-Sp-8R!H-2R!H", + group = +""" +1 *1 R!H u0 {2,D} +2 *2 C u0 r0 {1,D} {8,D} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux {2,D} +""", + kinetics = None, +) + +entry( + index = 1714, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-2R!H=1R!H", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} {8,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 {2,S} +""", + kinetics = None, +) + +entry( + index = 1715, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-2R!H=1R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} +2 *2 C u0 r0 {1,T} {8,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 {2,S} +""", + kinetics = None, +) + +entry( + index = 1716, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-2R!H=1R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} +2 *2 C u0 r0 {1,T} {8,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 {2,S} +""", + kinetics = None, +) + +entry( + index = 1717, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1718, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1719, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1720, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1721, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} +2 *2 C u0 r0 {1,T} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1722, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} +2 *2 C u0 r0 {1,T} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1723, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} +2 *2 R!H u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1724, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r1 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1725, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r1 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1726, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r1 {1,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1727, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r1 {1,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1728, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r1 {1,[S,D,T,B,Q]} +8 C ux r1 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1729, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C u0 {3,[S,D,T,B,Q]} {5,D} +5 C u0 {4,D} +6 C u0 {3,[S,D,T,B,Q]} +7 R!H ux r1 {1,[S,D,T,B,Q]} +8 C ux r1 {2,S} {9,[S,D,T,B,Q]} +9 C u0 {8,[S,D,T,B,Q]} +10 C u0 {2,S} +""", + kinetics = None, +) + +entry( + index = 1730, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {7,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C u0 r0 {3,[S,D,T,B,Q]} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,[S,D,T,B,Q]} +7 R!H ux r1 {1,[S,D,T,B,Q]} +8 C ux r1 {2,S} {9,[S,D,T,B,Q]} +9 C u0 r1 {8,[S,D,T,B,Q]} +10 C u0 r0 {2,S} +11 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1731, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-1R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r1 {1,[S,D,T,B,Q]} +8 C ux r1 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1732, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r1 {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1733, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r1 {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1734, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} {6,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux {3,S} +7 R!H ux r1 {1,[S,D,T,B,Q]} +8 C u0 r0 {2,[S,D,T,B,Q]} {9,D} +9 C ux {8,D} +10 C ux {2,[S,D,T,B,Q]} {11,D} +11 C u0 {10,D} +""", + kinetics = None, +) + +entry( + index = 1735, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-1R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} {6,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux {3,S} +7 R!H ux r1 {1,[S,D,T,B,Q]} +8 C u0 r0 {2,[S,D,T,B,Q]} {9,D} +9 C ux r0 {8,D} +10 C ux {2,[S,D,T,B,Q]} {11,D} +11 C u0 r0 {10,D} +12 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1736, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 {3,S} +7 R!H ux r1 {1,[S,D,T,B,Q]} +8 C u0 r0 {2,S} {9,[S,D,T,B,Q]} +9 C u0 {8,[S,D,T,B,Q]} +10 C u0 {2,S} +11 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1737, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,D} {7,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} +7 R!H ux r1 {1,[S,D,T,B,Q]} +8 C u0 r0 {2,S} {9,D} +9 C u0 r0 {8,D} +10 C u0 r0 {2,S} +11 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1738, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,D} {7,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} +7 R!H ux r1 {1,[S,D,T,B,Q]} +8 C u0 r0 {2,S} {9,T} +9 C u0 r0 {8,T} +10 C u0 r0 {2,S} +11 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1739, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,D} +9 C ux {8,D} +10 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1740, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,T} +9 C ux {8,T} +10 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1741, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1R!H-R", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 {3,S} +7 R!H ux r1 {1,[S,D,T,B,Q]} +8 C u0 r0 {2,S} {9,[S,D,T,B,Q]} +9 C u0 {8,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1742, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,D} {7,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} +7 R!H ux r1 {1,[S,D,T,B,Q]} +8 C u0 r0 {2,S} {9,D} +9 C u0 r0 {8,D} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1743, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,D} {7,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} +7 R!H ux r1 {1,[S,D,T,B,Q]} +8 C u0 r0 {2,S} {9,T} +9 C u0 r0 {8,T} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1744, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,D} +9 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1745, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,T} +9 C ux {8,T} +""", + kinetics = None, +) + +entry( + index = 1746, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r1 {1,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1747, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} +7 R!H ux r1 {1,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1748, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-8R!H-2R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r1 {1,[S,D,T,B,Q]} +8 C ux {2,S} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1749, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-Sp-8R!H-2R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r1 {1,[S,D,T,B,Q]} +8 C ux {2,D} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1750, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1751, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-8R!H-2R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,[S,D,T,B,Q]} +8 C ux r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 1752, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H-2R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,[S,D,T,B,Q]} +8 C ux r0 {2,D} +""", + kinetics = None, +) + +entry( + index = 1753, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-1R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r1 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1754, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r1 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1755, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r1 {1,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1756, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +9 C ux {7,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1757, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +9 C ux {7,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 R!H ux {8,[S,D,T,B,Q]} +12 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1758, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +9 C ux {7,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 R!H ux {8,[S,D,T,B,Q]} +12 R!H ux {8,[S,D,T,B,Q]} +13 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1759, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R", + group = +""" +1 *1 C u0 {2,D} {7,S} {14,S} +2 *2 C u0 {1,D} {8,S} {13,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} {6,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,S} +7 C ux r1 {1,S} {9,[S,D,T,B,Q]} +8 C u0 {2,S} {11,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +9 C ux {7,[S,D,T,B,Q]} {10,B} +10 C u0 {9,B} +11 R!H ux {8,[S,D,T,B,Q]} +12 R!H ux {8,[S,D,T,B,Q]} +13 C ux {2,[S,D,T,B,Q]} +14 C u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1760, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {14,S} +2 *2 C u0 r0 {1,D} {8,S} {13,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} {6,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,S} +7 C ux r1 {1,S} {9,[S,D,T,B,Q]} +8 C u0 r1 {2,S} {11,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +9 C ux r1 {7,[S,D,T,B,Q]} {10,B} +10 C u0 r1 {9,B} +11 R!H ux {8,[S,D,T,B,Q]} +12 R!H ux {8,[S,D,T,B,Q]} +13 C ux {2,[S,D,T,B,Q]} +14 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1761, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {14,S} +2 *2 C u0 r0 {1,D} {8,S} {13,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} {6,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,S} +7 C ux r1 {1,S} {9,[S,D,T,B,Q]} +8 C u0 r1 {2,S} {11,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +9 C ux r1 {7,[S,D,T,B,Q]} {10,B} +10 C u0 r1 {9,B} +11 R!H ux {8,[S,D,T,B,Q]} +12 R!H ux {8,[S,D,T,B,Q]} +13 C ux {2,[S,D,T,B,Q]} +14 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1762, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-2R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 C ux r1 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +9 C ux r1 {7,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux r1 {9,[S,D,T,B,Q]} +11 R!H ux {8,[S,D,T,B,Q]} +12 R!H ux {8,[S,D,T,B,Q]} +13 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1763, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-2R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 C ux r1 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +9 C ux r1 {7,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux r1 {9,[S,D,T,B,Q]} +11 R!H ux {8,[S,D,T,B,Q]} +12 R!H ux {8,[S,D,T,B,Q]} +13 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1764, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-1R!H-R", + group = +""" +1 *1 C u0 {2,D} {7,S} {13,S} +2 *2 C u0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r1 {1,S} {9,B} +8 C u0 {2,S} {11,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +9 C u0 {7,B} {10,B} +10 C u0 {9,B} +11 R!H ux {8,[S,D,T,B,Q]} +12 R!H ux {8,[S,D,T,B,Q]} +13 C u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1765, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-1R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {13,S} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r1 {1,S} {9,B} +8 C u0 r1 {2,S} {11,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +9 C u0 r1 {7,B} {10,B} +10 C u0 r1 {9,B} +11 R!H ux {8,[S,D,T,B,Q]} +12 R!H ux {8,[S,D,T,B,Q]} +13 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1766, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-1R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {13,S} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r1 {1,S} {9,B} +8 C u0 r1 {2,S} {11,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +9 C u0 r1 {7,B} {10,B} +10 C u0 r1 {9,B} +11 R!H ux {8,[S,D,T,B,Q]} +12 R!H ux {8,[S,D,T,B,Q]} +13 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1767, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 C ux r1 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +9 C ux r1 {7,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux r1 {9,[S,D,T,B,Q]} +11 R!H ux {8,[S,D,T,B,Q]} +12 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1768, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 C ux r1 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +9 C ux r1 {7,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux r1 {9,[S,D,T,B,Q]} +11 R!H ux {8,[S,D,T,B,Q]} +12 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1769, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +9 C ux {7,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {8,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1770, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-12R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +9 C ux {7,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {8,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +13 C ux {12,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1771, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-12R!H-R_Ext-1R!H-R", + group = +""" +1 *1 C u0 {2,D} {7,S} {14,S} +2 *2 C u0 {1,D} {8,S} {12,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r1 {1,S} {9,B} +8 C u0 {2,S} {11,[S,D,T,B,Q]} +9 C u0 {7,B} {10,B} +10 C u0 {9,B} +11 C u0 {8,[S,D,T,B,Q]} +12 C u0 {2,S} {13,[S,D,T,B,Q]} +13 C ux {12,[S,D,T,B,Q]} +14 C u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1772, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-12R!H-R_Ext-1R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {14,S} +2 *2 C u0 r0 {1,D} {8,S} {12,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r1 {1,S} {9,B} +8 C u0 r0 {2,S} {11,[S,D,T,B,Q]} +9 C u0 r1 {7,B} {10,B} +10 C u0 r1 {9,B} +11 C u0 {8,[S,D,T,B,Q]} +12 C u0 r0 {2,S} {13,[S,D,T,B,Q]} +13 C ux {12,[S,D,T,B,Q]} +14 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1773, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-12R!H-R_Ext-1R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {14,S} +2 *2 C u0 r0 {1,D} {8,S} {12,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r1 {1,S} {9,B} +8 C u0 r0 {2,S} {11,[S,D,T,B,Q]} +9 C u0 r1 {7,B} {10,B} +10 C u0 r1 {9,B} +11 C u0 {8,[S,D,T,B,Q]} +12 C u0 r0 {2,S} {13,[S,D,T,B,Q]} +13 C ux {12,[S,D,T,B,Q]} +14 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1774, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-12R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +9 C ux r1 {7,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux r1 {9,[S,D,T,B,Q]} +11 C ux {8,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +13 C ux {12,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1775, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-12R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +9 C ux r1 {7,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux r1 {9,[S,D,T,B,Q]} +11 C ux {8,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +13 C ux {12,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1776, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +9 C ux {7,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {8,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} +13 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1777, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,B} +5 C ux {4,B} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +9 C ux {7,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {8,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} +13 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1778, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing_Sp-11R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,B} +5 C ux r1 {4,B} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {11,D} +9 C ux r1 {7,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux r1 {9,[S,D,T,B,Q]} +11 C ux {8,D} +12 C ux {2,[S,D,T,B,Q]} +13 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1779, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing_N-Sp-11R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,B} +5 C ux r1 {4,B} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {11,T} +9 C ux r1 {7,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux r1 {9,[S,D,T,B,Q]} +11 C ux {8,T} +12 C ux {2,[S,D,T,B,Q]} +13 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1780, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,T} +5 C ux {4,T} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +9 C ux {7,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {8,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} +13 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1781, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing_Sp-11R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,T} +5 C ux r0 {4,T} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {11,D} +9 C ux r1 {7,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux r1 {9,[S,D,T,B,Q]} +11 C ux {8,D} +12 C ux {2,[S,D,T,B,Q]} +13 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1782, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing_N-Sp-11R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,T} +5 C ux r0 {4,T} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {11,T} +9 C ux r1 {7,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux r1 {9,[S,D,T,B,Q]} +11 C ux {8,T} +12 C ux {2,[S,D,T,B,Q]} +13 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1783, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,S} {12,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 {4,B} +6 C u0 {3,S} +7 C u0 r1 {1,S} {9,B} +8 C u0 {2,S} {11,[S,D,T,B,Q]} +9 C u0 {7,B} {10,B} +10 C u0 {9,B} +11 C u0 {8,[S,D,T,B,Q]} +12 C u0 {2,S} +""", + kinetics = None, +) + +entry( + index = 1784, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_4R!H-inRing_Sp-11R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} {8,S} {12,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 C u0 r0 {3,S} +7 C u0 r1 {1,S} {9,B} +8 C u0 r0 {2,S} {11,D} +9 C u0 r1 {7,B} {10,B} +10 C u0 r1 {9,B} +11 C u0 r0 {8,D} +12 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 1785, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_4R!H-inRing_N-Sp-11R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} {8,S} {12,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 C u0 r0 {3,S} +7 C u0 r1 {1,S} {9,B} +8 C u0 r0 {2,S} {11,T} +9 C u0 r1 {7,B} {10,B} +10 C u0 r1 {9,B} +11 C u0 r0 {8,T} +12 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 1786, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,S} {12,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,T} +5 C u0 {4,T} +6 C u0 {3,S} +7 C u0 r1 {1,S} {9,B} +8 C u0 {2,S} {11,[S,D,T,B,Q]} +9 C u0 {7,B} {10,B} +10 C u0 {9,B} +11 C u0 {8,[S,D,T,B,Q]} +12 C u0 {2,S} +""", + kinetics = None, +) + +entry( + index = 1787, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-11R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} {8,S} {12,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 C u0 r0 {3,S} +7 C u0 r1 {1,S} {9,B} +8 C u0 r0 {2,S} {11,D} +9 C u0 r1 {7,B} {10,B} +10 C u0 r1 {9,B} +11 C u0 r0 {8,D} +12 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 1788, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_N-4R!H-inRing_N-Sp-11R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} {8,S} {12,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 C u0 r0 {3,S} +7 C u0 r1 {1,S} {9,B} +8 C u0 r0 {2,S} {11,T} +9 C u0 r1 {7,B} {10,B} +10 C u0 r1 {9,B} +11 C u0 r0 {8,T} +12 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 1789, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-1R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +9 C ux {7,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {8,[S,D,T,B,Q]} +12 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1790, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-1R!H-R_Sp-11R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {11,D} +9 C ux {7,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {8,D} +12 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1791, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-1R!H-R_Sp-11R!H=8R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {11,D} +9 C ux r1 {7,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux r1 {9,[S,D,T,B,Q]} +11 C ux r0 {8,D} +12 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1792, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-1R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {11,D} +9 C ux r1 {7,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux r1 {9,[S,D,T,B,Q]} +11 C ux r0 {8,D} +12 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1793, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-1R!H-R_N-Sp-11R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {11,[S,T]} +9 C ux {7,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {8,[S,T]} +12 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1794, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-1R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {11,[S,T]} +9 C ux r1 {7,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux r1 {9,[S,D,T,B,Q]} +11 C ux r0 {8,[S,T]} +12 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1795, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-1R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {11,[S,T]} +9 C ux r1 {7,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux r1 {9,[S,D,T,B,Q]} +11 C ux r0 {8,[S,T]} +12 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1796, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_1R!H-inRing", + group = +""" +1 *1 C u0 r1 {2,[D,T,B]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +9 C ux r1 {7,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux r1 {9,[S,D,T,B,Q]} +11 C ux r0 {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1797, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_N-1R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,[D,T,B]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +9 C ux {7,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1798, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_N-1R!H-inRing_Sp-11R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,[D,T,B]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {11,D} +9 C ux {7,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1799, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_N-1R!H-inRing_Sp-11R!H=8R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,[D,T,B]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {11,D} +9 C ux r1 {7,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux r1 {9,[S,D,T,B,Q]} +11 C ux r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1800, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_N-1R!H-inRing_Sp-11R!H=8R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,[D,T,B]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {11,D} +9 C ux r1 {7,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux r1 {9,[S,D,T,B,Q]} +11 C ux r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1801, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_N-1R!H-inRing_N-Sp-11R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,[D,T,B]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {11,[S,T]} +9 C ux {7,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {8,[S,T]} +""", + kinetics = None, +) + +entry( + index = 1802, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_N-1R!H-inRing_N-Sp-11R!H=8R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,[D,T,B]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {11,[S,T]} +9 C ux r1 {7,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux r1 {9,[S,D,T,B,Q]} +11 C ux r0 {8,[S,T]} +""", + kinetics = None, +) + +entry( + index = 1803, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_N-1R!H-inRing_N-Sp-11R!H=8R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,[D,T,B]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {11,[S,T]} +9 C ux r1 {7,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux r1 {9,[S,D,T,B,Q]} +11 C ux r0 {8,[S,T]} +""", + kinetics = None, +) + +entry( + index = 1804, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r1 {1,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1805, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-8R!H-2R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r1 {1,[S,D,T,B,Q]} +8 C ux {2,S} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1806, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-8R!H-2R!H_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,S} {10,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 R!H ux r1 {1,[S,D,T,B,Q]} +8 C u0 {2,S} +9 R!H ux {1,[S,D,T,B,Q]} +10 C u0 {2,S} +""", + kinetics = None, +) + +entry( + index = 1807, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-8R!H-2R!H_Ext-2R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,S} {10,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 R!H ux r1 {1,[S,D,T,B,Q]} +8 C u0 {2,S} +9 R!H ux {1,[S,D,T,B,Q]} +10 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 1808, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-8R!H-2R!H_Ext-2R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,S} {10,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 R!H ux r1 {1,[S,D,T,B,Q]} +8 C u0 {2,S} +9 R!H ux {1,[S,D,T,B,Q]} +10 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 1809, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-8R!H-2R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r1 {1,[S,D,T,B,Q]} +8 C ux {2,S} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1810, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-8R!H-2R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r1 {1,[S,D,T,B,Q]} +8 C ux {2,S} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1811, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-Sp-8R!H-2R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[B,D]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r1 {1,[S,D,T,B,Q]} +8 C ux {2,[B,D]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1812, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-Sp-8R!H-2R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[B,D]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 {4,B} +6 C u0 {3,S} +7 R!H ux r1 {1,[S,D,T,B,Q]} +8 C u0 {2,[B,D]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1813, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-Sp-8R!H-2R!H_4R!H-inRing_1R!H-inRing", + group = +""" +1 *1 C u0 r1 {2,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[B,D]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 C u0 r0 {3,S} +7 R!H ux r1 {1,[S,D,T,B,Q]} +8 C u0 {2,[B,D]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1814, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-Sp-8R!H-2R!H_4R!H-inRing_N-1R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[B,D]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 C u0 r0 {3,S} +7 R!H ux r1 {1,[S,D,T,B,Q]} +8 C u0 {2,[B,D]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1815, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-Sp-8R!H-2R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[B,D]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r1 {1,[S,D,T,B,Q]} +8 C ux {2,[B,D]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1816, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-8R!H=2R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,D} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r1 {1,S} +8 C u0 {2,D} +""", + kinetics = None, +) + +entry( + index = 1817, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-8R!H=2R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} {8,D} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r1 {1,S} +8 C u0 r0 {2,D} +""", + kinetics = None, +) + +entry( + index = 1818, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-8R!H=2R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} {8,D} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r1 {1,S} +8 C u0 r0 {2,D} +""", + kinetics = None, +) + +entry( + index = 1819, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[S,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,[S,D,T,B,Q]} +8 C ux {2,[S,B]} +""", + kinetics = None, +) + +entry( + index = 1820, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,[S,D,T,B,Q]} +8 C ux {2,S} +""", + kinetics = None, +) + +entry( + index = 1821, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,S} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,[S,D,T,B,Q]} +8 C ux {2,S} +9 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1822, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H_Ext-2R!H-R_1R!H-inRing", + group = +""" +1 *1 C u0 r1 {2,[D,T,B]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,S} {9,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r1 {1,[S,D,T,B,Q]} +8 C u0 {2,S} +9 C u0 {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1823, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H_Ext-2R!H-R_N-1R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,S} {9,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,S} +8 C ux {2,S} +9 C ux {2,S} +""", + kinetics = None, +) + +entry( + index = 1824, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H_Ext-2R!H-R_N-1R!H-inRing_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} {8,S} {9,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,S} +8 C ux r0 {2,S} +9 C ux r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 1825, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H_Ext-2R!H-R_N-1R!H-inRing_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} {8,S} {9,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,S} +8 C ux r0 {2,S} +9 C ux r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 1826, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,S} +8 C ux {2,S} +""", + kinetics = None, +) + +entry( + index = 1827, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,S} +8 C ux {2,S} +""", + kinetics = None, +) + +entry( + index = 1828, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_N-Sp-8R!H-2R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,B} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r1 {1,[S,D,T,B,Q]} +8 C u0 {2,B} +""", + kinetics = None, +) + +entry( + index = 1829, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-1R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 R!H ux r1 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1830, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-1R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 R!H ux r1 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1831, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-1R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 R!H ux r1 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1832, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,S} +""", + kinetics = None, +) + +entry( + index = 1833, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,S} +""", + kinetics = None, +) + +entry( + index = 1834, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} +2 *2 R!H u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1835, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1836, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1837, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1838, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1839, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} +9 C ux r1 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1840, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} +9 C ux r1 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1841, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} +9 C ux r1 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} +12 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1842, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,D} {7,S} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,[S,D,T,B,Q]} {6,S} +4 C u0 {3,[S,D,T,B,Q]} {5,D} +5 C u0 {4,D} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {12,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {13,[S,D,T,B,Q]} +9 C u0 r1 {2,[S,D,T,B,Q]} {10,B} +10 C ux r1 {9,B} +11 C ux {2,[S,D,T,B,Q]} +12 C u0 r0 {7,[S,D,T,B,Q]} +13 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1843, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {12,D} +8 C ux {1,[S,D,T,B,Q]} +9 C ux r1 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux r1 {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} +12 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 1844, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {12,T} +8 C ux {1,[S,D,T,B,Q]} +9 C ux r1 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux r1 {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} +12 C ux {7,T} +""", + kinetics = None, +) + +entry( + index = 1845, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} +9 C ux r1 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1846, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {11,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {12,[S,D,T,B,Q]} +9 C u0 r1 {2,S} {10,B} +10 C u0 r1 {9,B} +11 C u0 r0 {7,[S,D,T,B,Q]} +12 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1847, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Sp-11R!H=7R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {11,D} +8 C ux {1,[S,D,T,B,Q]} +9 C ux r1 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux r1 {9,[S,D,T,B,Q]} +11 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 1848, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_N-Sp-11R!H=7R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {11,T} +8 C ux {1,[S,D,T,B,Q]} +9 C ux r1 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux r1 {9,[S,D,T,B,Q]} +11 C ux {7,T} +""", + kinetics = None, +) + +entry( + index = 1849, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1850, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1851, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +12 C ux {11,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1852, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +12 C ux {11,[S,D,T,B,Q]} +13 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1853, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 r0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,[D,T,B]} {9,S} {11,S} +3 *3 C u[1,2,3,4] r0 {4,S} {6,[S,D,T,B,Q]} +4 C ux r0 {3,S} {5,D} +5 C ux r0 {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} {14,[S,D,T,B,Q]} +9 C ux r0 {2,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +11 C u0 r0 {2,S} {12,[S,D,T,B,Q]} +12 C ux {11,[S,D,T,B,Q]} +13 C u0 r0 {7,[S,D,T,B,Q]} +14 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1854, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Sp-13R!H=7R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {13,D} +8 C ux {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +12 C ux {11,[S,D,T,B,Q]} +13 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 1855, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_N-Sp-13R!H=7R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {13,T} +8 C ux {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +12 C ux {11,[S,D,T,B,Q]} +13 C ux {7,T} +""", + kinetics = None, +) + +entry( + index = 1856, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} +12 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1857, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {12,D} +8 C ux {1,[S,D,T,B,Q]} {13,D} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} +12 C ux {7,D} +13 C u0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1858, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {12,D} +8 C ux {1,[S,D,T,B,Q]} {13,D} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +11 C ux {2,[S,D,T,B,Q]} +12 C ux {7,D} +13 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1859, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {12,D} +8 C ux {1,[S,D,T,B,Q]} {13,D} +9 C ux r0 {2,[S,D,T,B,Q]} {10,T} +10 C ux {9,T} +11 C ux {2,[S,D,T,B,Q]} +12 C ux {7,D} +13 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1860, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} {8,S} +2 *2 C u0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 {3,S} +7 C u0 r0 {1,S} {12,D} +8 C u0 {1,S} +9 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +11 C u0 {2,S} +12 C u0 {7,D} +""", + kinetics = None, +) + +entry( + index = 1861, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {12,D} +8 C u0 r0 {1,S} +9 C u0 r0 {2,S} {10,D} +10 C u0 r0 {9,D} +11 C u0 r0 {2,S} +12 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 1862, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_N-Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {12,D} +8 C u0 r0 {1,S} +9 C u0 r0 {2,S} {10,T} +10 C u0 r0 {9,T} +11 C u0 r0 {2,S} +12 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 1863, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} {8,S} +2 *2 C u0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 {3,S} +7 C u0 r0 {1,S} {12,T} +8 C u0 {1,S} +9 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +11 C u0 {2,S} +12 C u0 {7,T} +""", + kinetics = None, +) + +entry( + index = 1864, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {12,T} +8 C u0 r0 {1,S} +9 C u0 r0 {2,S} {10,D} +10 C u0 r0 {9,D} +11 C u0 r0 {2,S} +12 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 1865, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_N-Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {12,T} +8 C u0 r0 {1,S} +9 C u0 r0 {2,S} {10,T} +10 C u0 r0 {9,T} +11 C u0 r0 {2,S} +12 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 1866, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +11 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1867, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,T} +10 C ux {9,T} +11 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1868, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +""", + kinetics = None, +) + +entry( + index = 1869, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +11 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1870, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +11 C u0 r0 {7,[S,D,T,B,Q]} +12 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1871, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Sp-11R!H=7R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {11,D} +8 C ux {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +11 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 1872, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_N-Sp-11R!H=7R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {11,T} +8 C ux {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +11 C ux {7,T} +""", + kinetics = None, +) + +entry( + index = 1873, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,T} +10 C ux {9,T} +""", + kinetics = None, +) + +entry( + index = 1874, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,T} +10 C ux {9,T} +11 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1875, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,T} +10 C ux {9,T} +11 C u0 r0 {7,[S,D,T,B,Q]} +12 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1876, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_Sp-11R!H=7R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {11,D} +8 C ux {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,T} +10 C ux {9,T} +11 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 1877, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_N-Sp-11R!H=7R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {11,T} +8 C ux {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,T} +10 C ux {9,T} +11 C ux {7,T} +""", + kinetics = None, +) + +entry( + index = 1878, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1879, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1880, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 C u0 r0 {7,[S,D,T,B,Q]} +12 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1881, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {11,D} +8 C ux {1,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 1882, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {11,T} +8 C ux {1,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 C ux {7,T} +""", + kinetics = None, +) + +entry( + index = 1883, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} +9 C ux {2,S} +""", + kinetics = None, +) + +entry( + index = 1884, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} +9 C ux {2,S} +10 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1885, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +9 C ux r0 {2,S} +10 C u0 r0 {7,[S,D,T,B,Q]} +11 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1886, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {10,D} +8 C ux {1,[S,D,T,B,Q]} +9 C ux {2,S} +10 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 1887, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {10,T} +8 C ux {1,[S,D,T,B,Q]} +9 C ux {2,S} +10 C ux {7,T} +""", + kinetics = None, +) + +entry( + index = 1888, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} +9 C ux {2,D} +""", + kinetics = None, +) + +entry( + index = 1889, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} +9 C ux {2,D} +10 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1890, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +9 C ux r0 {2,D} +10 C u0 r0 {7,[S,D,T,B,Q]} +11 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1891, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {10,D} +8 C ux {1,[S,D,T,B,Q]} +9 C ux {2,D} +10 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 1892, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {10,T} +8 C ux {1,[S,D,T,B,Q]} +9 C ux {2,D} +10 C ux {7,T} +""", + kinetics = None, +) + +entry( + index = 1893, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} +9 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1894, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-7R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {9,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +9 C u0 r0 {7,[S,D,T,B,Q]} +10 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1895, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {9,D} +8 C ux {1,[S,D,T,B,Q]} +9 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 1896, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {9,T} +8 C ux {1,[S,D,T,B,Q]} +9 C ux {7,T} +""", + kinetics = None, +) + +entry( + index = 1897, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1898, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1899, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1900, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C ux r1 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1901, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C ux r1 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1902, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,S} {11,S} +3 *3 C u[1,2,3,4] r0 {4,S} {6,[S,D,T,B,Q]} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} +9 C ux r1 {2,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +11 C u0 {2,S} +12 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1903, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,S} {11,S} +3 *3 C u[1,2,3,4] r0 {4,S} {6,[S,D,T,B,Q]} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {12,D} +8 C ux {1,[S,D,T,B,Q]} {13,D} +9 C ux r1 {2,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +11 C u0 {2,S} +12 C ux {7,D} +13 C u0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1904, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,[D,T,B]} {9,S} {11,S} +3 *3 C u[1,2,3,4] r0 {4,S} {6,[S,D,T,B,Q]} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {12,D} +8 C ux {1,[S,D,T,B,Q]} {13,D} +9 C ux r1 {2,S} {10,[S,D,T,B,Q]} +10 C u0 r1 {9,[S,D,T,B,Q]} +11 C u0 r0 {2,S} +12 C ux {7,D} +13 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1905, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,[D,T,B]} {9,S} {11,S} +3 *3 C u[1,2,3,4] r0 {4,S} {6,[S,D,T,B,Q]} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {12,D} +8 C ux {1,[S,D,T,B,Q]} {13,D} +9 C ux r1 {2,S} {10,[S,D,T,B,Q]} +10 C u0 r1 {9,[S,D,T,B,Q]} +11 C u0 r0 {2,S} +12 C ux {7,D} +13 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1906, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} {8,S} +2 *2 C u0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {12,D} +8 C u0 {1,S} +9 C u0 r1 {2,S} {10,B} +10 C u0 {9,B} +11 C u0 {2,S} +12 C u0 {7,D} +""", + kinetics = None, +) + +entry( + index = 1907, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {12,D} +8 C u0 r0 {1,S} +9 C u0 r1 {2,S} {10,B} +10 C u0 r1 {9,B} +11 C u0 r0 {2,S} +12 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 1908, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {12,D} +8 C u0 r0 {1,S} +9 C u0 r1 {2,S} {10,B} +10 C u0 r1 {9,B} +11 C u0 r0 {2,S} +12 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 1909, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} {8,S} +2 *2 C u0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {12,T} +8 C u0 {1,S} +9 C u0 r1 {2,S} {10,B} +10 C u0 {9,B} +11 C u0 {2,S} +12 C u0 {7,T} +""", + kinetics = None, +) + +entry( + index = 1910, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {12,T} +8 C u0 r0 {1,S} +9 C u0 r1 {2,S} {10,B} +10 C u0 r1 {9,B} +11 C u0 r0 {2,S} +12 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 1911, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {12,T} +8 C u0 r0 {1,S} +9 C u0 r1 {2,S} {10,B} +10 C u0 r1 {9,B} +11 C u0 r0 {2,S} +12 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 1912, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C ux r1 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux r1 {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1913, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C ux r1 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux r1 {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1914, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} +9 C ux r1 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1915, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {11,D} +8 C ux {1,[S,D,T,B,Q]} {12,D} +9 C ux r1 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {7,D} +12 C u0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1916, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {11,D} +8 C ux {1,[S,D,T,B,Q]} {12,D} +9 C ux r1 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux r1 {9,[S,D,T,B,Q]} +11 C ux {7,D} +12 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1917, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {11,D} +8 C ux {1,[S,D,T,B,Q]} {12,D} +9 C ux r1 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux r1 {9,[S,D,T,B,Q]} +11 C ux {7,D} +12 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1918, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Sp-11R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} {8,S} +2 *2 C u0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {11,D} +8 C u0 {1,S} +9 C u0 r1 {2,S} {10,B} +10 C u0 {9,B} +11 C u0 {7,D} +""", + kinetics = None, +) + +entry( + index = 1919, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Sp-11R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {11,D} +8 C u0 r0 {1,S} +9 C u0 r1 {2,S} {10,B} +10 C u0 r1 {9,B} +11 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 1920, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Sp-11R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {11,D} +8 C u0 r0 {1,S} +9 C u0 r1 {2,S} {10,B} +10 C u0 r1 {9,B} +11 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 1921, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_N-Sp-11R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} {8,S} +2 *2 C u0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {11,T} +8 C u0 {1,S} +9 C u0 r1 {2,S} {10,B} +10 C u0 {9,B} +11 C u0 {7,T} +""", + kinetics = None, +) + +entry( + index = 1922, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_N-Sp-11R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {11,T} +8 C u0 r0 {1,S} +9 C u0 r1 {2,S} {10,B} +10 C u0 r1 {9,B} +11 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 1923, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {11,T} +8 C u0 r0 {1,S} +9 C u0 r1 {2,S} {10,B} +10 C u0 r1 {9,B} +11 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 1924, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C ux r1 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux r1 {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1925, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C ux r1 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux r1 {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1926, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1927, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1928, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +12 C ux {11,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1929, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,D} {7,S} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,[S,D,T,B,Q]} {6,S} +4 C u0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {13,[S,D,T,B,Q]} +8 C u0 {1,S} +9 C u0 r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +11 C ux {2,[S,D,T,B,Q]} {12,D} +12 C u0 {11,D} +13 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1930, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,D} {7,S} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,[S,D,T,B,Q]} {6,S} +4 C u0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {13,D} +8 C u0 {1,S} {14,D} +9 C u0 r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +11 C ux {2,[S,D,T,B,Q]} {12,D} +12 C u0 {11,D} +13 C ux {7,D} +14 C u0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1931, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {7,S} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,[S,D,T,B,Q]} {6,S} +4 C u0 r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {13,D} +8 C u0 r0 {1,S} {14,D} +9 C u0 r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux r0 {9,D} +11 C ux {2,[S,D,T,B,Q]} {12,D} +12 C u0 r0 {11,D} +13 C ux {7,D} +14 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1932, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {7,S} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,[S,D,T,B,Q]} {6,S} +4 C u0 r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {13,D} +8 C u0 r0 {1,S} {14,D} +9 C u0 r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux r0 {9,D} +11 C ux {2,[S,D,T,B,Q]} {12,D} +12 C u0 r0 {11,D} +13 C ux {7,D} +14 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1933, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Sp-13R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} {8,S} +2 *2 C u0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {13,D} +8 C u0 {1,S} +9 C u0 r0 {2,S} {10,D} +10 C u0 {9,D} +11 C u0 {2,S} {12,D} +12 C u0 {11,D} +13 C u0 {7,D} +""", + kinetics = None, +) + +entry( + index = 1934, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Sp-13R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {13,D} +8 C u0 r0 {1,S} +9 C u0 r0 {2,S} {10,D} +10 C u0 r0 {9,D} +11 C u0 r0 {2,S} {12,D} +12 C u0 r0 {11,D} +13 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 1935, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Sp-13R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {13,D} +8 C u0 r0 {1,S} +9 C u0 r0 {2,S} {10,D} +10 C u0 r0 {9,D} +11 C u0 r0 {2,S} {12,D} +12 C u0 r0 {11,D} +13 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 1936, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_N-Sp-13R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} {8,S} +2 *2 C u0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {13,T} +8 C u0 {1,S} +9 C u0 r0 {2,S} {10,D} +10 C u0 {9,D} +11 C u0 {2,S} {12,D} +12 C u0 {11,D} +13 C u0 {7,T} +""", + kinetics = None, +) + +entry( + index = 1937, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_N-Sp-13R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {13,T} +8 C u0 r0 {1,S} +9 C u0 r0 {2,S} {10,D} +10 C u0 r0 {9,D} +11 C u0 r0 {2,S} {12,D} +12 C u0 r0 {11,D} +13 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 1938, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_N-Sp-13R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {13,T} +8 C u0 r0 {1,S} +9 C u0 r0 {2,S} {10,D} +10 C u0 r0 {9,D} +11 C u0 r0 {2,S} {12,D} +12 C u0 r0 {11,D} +13 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 1939, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +12 C ux {11,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1940, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +12 C ux {11,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1941, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} +12 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1942, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,D} {7,S} {8,S} +2 *2 C u0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {12,[S,D,T,B,Q]} +8 C u0 {1,S} {13,[S,D,T,B,Q]} +9 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +11 C u0 {2,S} +12 C u0 {7,[S,D,T,B,Q]} +13 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1943, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {7,S} {8,S} +2 *2 C u0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 {4,B} +6 C u0 {3,S} +7 C u0 r0 {1,S} {12,[S,D,T,B,Q]} +8 C u0 {1,S} {13,[S,D,T,B,Q]} +9 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +11 C u0 {2,S} +12 C u0 {7,[S,D,T,B,Q]} +13 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1944, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing_Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {12,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {13,[S,D,T,B,Q]} +9 C u0 r0 {2,S} {10,D} +10 C u0 r0 {9,D} +11 C u0 r0 {2,S} +12 C u0 r0 {7,[S,D,T,B,Q]} +13 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1945, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing_N-Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {12,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {13,[S,D,T,B,Q]} +9 C u0 r0 {2,S} {10,T} +10 C u0 r0 {9,T} +11 C u0 r0 {2,S} +12 C u0 r0 {7,[S,D,T,B,Q]} +13 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1946, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {7,S} {8,S} +2 *2 C u0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,T} +5 C u0 {4,T} +6 C u0 {3,S} +7 C u0 r0 {1,S} {12,[S,D,T,B,Q]} +8 C u0 {1,S} {13,[S,D,T,B,Q]} +9 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +11 C u0 {2,S} +12 C u0 {7,[S,D,T,B,Q]} +13 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1947, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing_Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {12,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {13,[S,D,T,B,Q]} +9 C u0 r0 {2,S} {10,D} +10 C u0 r0 {9,D} +11 C u0 r0 {2,S} +12 C u0 r0 {7,[S,D,T,B,Q]} +13 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1948, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing_N-Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {12,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {13,[S,D,T,B,Q]} +9 C u0 r0 {2,S} {10,T} +10 C u0 r0 {9,T} +11 C u0 r0 {2,S} +12 C u0 r0 {7,[S,D,T,B,Q]} +13 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1949, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {12,D} +8 C ux {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} +12 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 1950, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,B} +5 C ux {4,B} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {12,D} +8 C ux {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} +12 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 1951, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_4R!H-inRing_Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,B} +5 C ux r1 {4,B} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {12,D} +8 C ux {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +11 C ux {2,[S,D,T,B,Q]} +12 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 1952, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_4R!H-inRing_N-Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,B} +5 C ux r1 {4,B} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {12,D} +8 C ux {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,T} +10 C ux {9,T} +11 C ux {2,[S,D,T,B,Q]} +12 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 1953, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,T} +5 C ux {4,T} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {12,D} +8 C ux {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} +12 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 1954, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_N-4R!H-inRing_Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,T} +5 C ux r0 {4,T} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {12,D} +8 C ux {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +11 C ux {2,[S,D,T,B,Q]} +12 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 1955, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_N-4R!H-inRing_N-Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,T} +5 C ux r0 {4,T} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {12,D} +8 C ux {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,T} +10 C ux {9,T} +11 C ux {2,[S,D,T,B,Q]} +12 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 1956, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {12,T} +8 C ux {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} +12 C ux {7,T} +""", + kinetics = None, +) + +entry( + index = 1957, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,B} +5 C ux {4,B} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {12,T} +8 C ux {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} +12 C ux {7,T} +""", + kinetics = None, +) + +entry( + index = 1958, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_4R!H-inRing_Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,B} +5 C ux r1 {4,B} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {12,T} +8 C ux {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +11 C ux {2,[S,D,T,B,Q]} +12 C ux {7,T} +""", + kinetics = None, +) + +entry( + index = 1959, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_4R!H-inRing_N-Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,B} +5 C ux r1 {4,B} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {12,T} +8 C ux {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,T} +10 C ux {9,T} +11 C ux {2,[S,D,T,B,Q]} +12 C ux {7,T} +""", + kinetics = None, +) + +entry( + index = 1960, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,T} +5 C ux {4,T} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {12,T} +8 C ux {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} +12 C ux {7,T} +""", + kinetics = None, +) + +entry( + index = 1961, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_N-4R!H-inRing_Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,T} +5 C ux r0 {4,T} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {12,T} +8 C ux {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +11 C ux {2,[S,D,T,B,Q]} +12 C ux {7,T} +""", + kinetics = None, +) + +entry( + index = 1962, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_N-4R!H-inRing_N-Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,T} +5 C ux r0 {4,T} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {12,T} +8 C ux {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,T} +10 C ux {9,T} +11 C ux {2,[S,D,T,B,Q]} +12 C ux {7,T} +""", + kinetics = None, +) + +entry( + index = 1963, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 {4,B} +6 C u0 {3,S} +7 R!H ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +11 C u0 {2,S} +""", + kinetics = None, +) + +entry( + index = 1964, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_4R!H-inRing_Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 r0 {2,D} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 C u0 r0 {3,S} +7 R!H ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C u0 r0 {2,S} {10,D} +10 C u0 r0 {9,D} +11 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 1965, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 r0 {2,D} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 C u0 r0 {3,S} +7 R!H ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C u0 r0 {2,S} {10,T} +10 C u0 r0 {9,T} +11 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 1966, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,T} +5 C u0 {4,T} +6 C u0 {3,S} +7 R!H ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +11 C u0 {2,S} +""", + kinetics = None, +) + +entry( + index = 1967, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 r0 {2,D} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 C u0 r0 {3,S} +7 R!H ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C u0 r0 {2,S} {10,D} +10 C u0 r0 {9,D} +11 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 1968, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 r0 {2,D} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 C u0 r0 {3,S} +7 R!H ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C u0 r0 {2,S} {10,T} +10 C u0 r0 {9,T} +11 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 1969, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +""", + kinetics = None, +) + +entry( + index = 1970, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,D} {7,S} {8,S} +2 *2 C u0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {11,[S,D,T,B,Q]} +8 C u0 {1,S} +9 C u0 r0 {2,S} {10,D} +10 C u0 {9,D} +11 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1971, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,D} {7,S} {8,S} +2 *2 C u0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {11,D} +8 C u0 {1,S} {12,D} +9 C u0 r0 {2,S} {10,D} +10 C u0 {9,D} +11 C ux {7,D} +12 C u0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1972, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {11,D} +8 C u0 r0 {1,S} {12,D} +9 C u0 r0 {2,S} {10,D} +10 C u0 r0 {9,D} +11 C ux {7,D} +12 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1973, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {11,D} +8 C u0 r0 {1,S} {12,D} +9 C u0 r0 {2,S} {10,D} +10 C u0 r0 {9,D} +11 C ux {7,D} +12 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1974, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Sp-11R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} {8,S} +2 *2 C u0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {11,D} +8 C u0 {1,S} +9 C u0 r0 {2,S} {10,D} +10 C u0 {9,D} +11 C u0 {7,D} +""", + kinetics = None, +) + +entry( + index = 1975, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Sp-11R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {11,D} +8 C u0 r0 {1,S} +9 C u0 r0 {2,S} {10,D} +10 C u0 r0 {9,D} +11 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 1976, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Sp-11R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {11,D} +8 C u0 r0 {1,S} +9 C u0 r0 {2,S} {10,D} +10 C u0 r0 {9,D} +11 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 1977, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_N-Sp-11R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} {8,S} +2 *2 C u0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {11,T} +8 C u0 {1,S} +9 C u0 r0 {2,S} {10,D} +10 C u0 {9,D} +11 C u0 {7,T} +""", + kinetics = None, +) + +entry( + index = 1978, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_N-Sp-11R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {11,T} +8 C u0 r0 {1,S} +9 C u0 r0 {2,S} {10,D} +10 C u0 r0 {9,D} +11 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 1979, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {11,T} +8 C u0 r0 {1,S} +9 C u0 r0 {2,S} {10,D} +10 C u0 r0 {9,D} +11 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 1980, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +""", + kinetics = None, +) + +entry( + index = 1981, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +""", + kinetics = None, +) + +entry( + index = 1982, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,T} +10 C ux {9,T} +""", + kinetics = None, +) + +entry( + index = 1983, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,D} {7,S} {8,S} +2 *2 C u0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {11,[S,D,T,B,Q]} +8 C u0 {1,S} +9 C u0 r0 {2,S} {10,T} +10 C u0 {9,T} +11 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1984, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,D} {7,S} {8,S} +2 *2 C u0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {11,D} +8 C u0 {1,S} {12,D} +9 C u0 r0 {2,S} {10,T} +10 C u0 {9,T} +11 C ux {7,D} +12 C u0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1985, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {11,D} +8 C u0 r0 {1,S} {12,D} +9 C u0 r0 {2,S} {10,T} +10 C u0 r0 {9,T} +11 C ux {7,D} +12 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1986, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {11,D} +8 C u0 r0 {1,S} {12,D} +9 C u0 r0 {2,S} {10,T} +10 C u0 r0 {9,T} +11 C ux {7,D} +12 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1987, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {7,S} {8,S} +2 *2 C u0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 {4,B} +6 C u0 {3,S} +7 C u0 r0 {1,S} {11,[S,D,T,B,Q]} +8 C u0 {1,S} +9 C u0 r0 {2,S} {10,T} +10 C u0 {9,T} +11 C u0 {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1988, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_4R!H-inRing_Sp-11R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {11,D} +8 C u0 r0 {1,S} +9 C u0 r0 {2,S} {10,T} +10 C u0 r0 {9,T} +11 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 1989, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_4R!H-inRing_N-Sp-11R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {11,T} +8 C u0 r0 {1,S} +9 C u0 r0 {2,S} {10,T} +10 C u0 r0 {9,T} +11 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 1990, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {7,S} {8,S} +2 *2 C u0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,T} +5 C u0 {4,T} +6 C u0 {3,S} +7 C u0 r0 {1,S} {11,[S,D,T,B,Q]} +8 C u0 {1,S} +9 C u0 r0 {2,S} {10,T} +10 C u0 {9,T} +11 C u0 {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1991, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_N-4R!H-inRing_Sp-11R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {11,D} +8 C u0 r0 {1,S} +9 C u0 r0 {2,S} {10,T} +10 C u0 r0 {9,T} +11 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 1992, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_N-4R!H-inRing_N-Sp-11R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {11,T} +8 C u0 r0 {1,S} +9 C u0 r0 {2,S} {10,T} +10 C u0 r0 {9,T} +11 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 1993, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,T} +10 C ux {9,T} +""", + kinetics = None, +) + +entry( + index = 1994, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,T} +10 C ux {9,T} +""", + kinetics = None, +) + +entry( + index = 1995, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1996, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,D} {7,S} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {11,[S,D,T,B,Q]} +8 C u0 {1,S} +9 R!H ux {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1997, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,D} {7,S} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {11,D} +8 C u0 {1,S} {12,D} +9 R!H ux {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 C ux {7,D} +12 C u0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1998, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {11,D} +8 C u0 r0 {1,S} {12,D} +9 R!H ux {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 C ux {7,D} +12 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1999, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {11,D} +8 C u0 r0 {1,S} {12,D} +9 R!H ux {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 C ux {7,D} +12 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 2000, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {11,D} +8 C u0 {1,S} +9 R!H ux {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 C u0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2001, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {11,D} +8 C u0 r0 {1,S} +9 R!H ux {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2002, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {11,D} +8 C u0 r0 {1,S} +9 R!H ux {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2003, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {11,T} +8 C u0 {1,S} +9 R!H ux {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 C u0 {7,T} +""", + kinetics = None, +) + +entry( + index = 2004, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {11,T} +8 C u0 r0 {1,S} +9 R!H ux {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 2005, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {11,T} +8 C u0 r0 {1,S} +9 R!H ux {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 2006, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2007, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2008, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C ux {2,S} +""", + kinetics = None, +) + +entry( + index = 2009, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,D} {7,S} {8,S} +2 *2 C u0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +8 C u0 {1,S} +9 C u0 {2,S} +10 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2010, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,D} {7,S} {8,S} +2 *2 C u0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {10,D} +8 C u0 {1,S} {11,D} +9 C u0 {2,S} +10 C ux {7,D} +11 C u0 {8,D} +""", + kinetics = None, +) + +entry( + index = 2011, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {10,D} +8 C u0 r0 {1,S} {11,D} +9 C u0 {2,S} +10 C ux {7,D} +11 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 2012, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {10,D} +8 C u0 r0 {1,S} {11,D} +9 C u0 {2,S} +10 C ux {7,D} +11 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 2013, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} {8,S} +2 *2 C u0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {10,D} +8 C u0 {1,S} +9 C u0 {2,S} +10 C u0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2014, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {10,D} +8 C u0 r0 {1,S} +9 C u0 r0 {2,S} +10 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2015, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {10,D} +8 C u0 r0 {1,S} +9 C u0 r0 {2,S} +10 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2016, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} {8,S} +2 *2 C u0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {10,T} +8 C u0 {1,S} +9 C u0 {2,S} +10 C u0 {7,T} +""", + kinetics = None, +) + +entry( + index = 2017, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {10,T} +8 C u0 r0 {1,S} +9 C u0 r0 {2,S} +10 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 2018, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {10,T} +8 C u0 r0 {1,S} +9 C u0 r0 {2,S} +10 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 2019, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C ux {2,S} +""", + kinetics = None, +) + +entry( + index = 2020, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C ux {2,S} +""", + kinetics = None, +) + +entry( + index = 2021, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C ux {2,D} +""", + kinetics = None, +) + +entry( + index = 2022, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,D} {7,S} {8,S} +2 *2 C u0 {1,D} {9,D} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +8 C u0 {1,S} +9 C u0 {2,D} +10 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2023, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,D} {7,S} {8,S} +2 *2 C u0 {1,D} {9,D} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {10,D} +8 C u0 {1,S} {11,D} +9 C u0 {2,D} +10 C ux {7,D} +11 C u0 {8,D} +""", + kinetics = None, +) + +entry( + index = 2024, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,D} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {10,D} +8 C u0 r0 {1,S} {11,D} +9 C u0 {2,D} +10 C ux {7,D} +11 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 2025, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,D} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {10,D} +8 C u0 r0 {1,S} {11,D} +9 C u0 {2,D} +10 C ux {7,D} +11 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 2026, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} {8,S} +2 *2 C u0 {1,D} {9,D} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {10,D} +8 C u0 {1,S} +9 C u0 {2,D} +10 C u0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2027, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,D} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {10,D} +8 C u0 r0 {1,S} +9 C u0 r0 {2,D} +10 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2028, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,D} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {10,D} +8 C u0 r0 {1,S} +9 C u0 r0 {2,D} +10 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2029, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} {8,S} +2 *2 C u0 {1,D} {9,D} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {10,T} +8 C u0 {1,S} +9 C u0 {2,D} +10 C u0 {7,T} +""", + kinetics = None, +) + +entry( + index = 2030, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,D} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {10,T} +8 C u0 r0 {1,S} +9 C u0 r0 {2,D} +10 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 2031, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,D} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {10,T} +8 C u0 r0 {1,S} +9 C u0 r0 {2,D} +10 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 2032, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C ux {2,D} +""", + kinetics = None, +) + +entry( + index = 2033, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C ux {2,D} +""", + kinetics = None, +) + +entry( + index = 2034, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} +9 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2035, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {9,D} +8 C ux {1,[S,D,T,B,Q]} {10,D} +9 C ux {7,D} +10 C u0 {8,D} +""", + kinetics = None, +) + +entry( + index = 2036, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {9,D} +8 C ux {1,[S,D,T,B,Q]} {10,D} +9 C ux {7,D} +10 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 2037, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {9,D} +8 C ux {1,[S,D,T,B,Q]} {10,D} +9 C ux {7,D} +10 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 2038, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} {8,S} +2 *2 C u0 {1,D} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {9,D} +8 C u0 {1,S} +9 C u0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2039, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {9,D} +8 C u0 r0 {1,S} +9 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2040, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {9,D} +8 C u0 r0 {1,S} +9 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2041, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} {8,S} +2 *2 C u0 {1,D} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {9,T} +8 C u0 {1,S} +9 C u0 {7,T} +""", + kinetics = None, +) + +entry( + index = 2042, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {9,T} +8 C u0 r0 {1,S} +9 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 2043, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {9,T} +8 C u0 r0 {1,S} +9 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 2044, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2045, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2046, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 R!H u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2047, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 R!H u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2048, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 R!H u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,S} +7 C ux r0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2049, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,S} +7 C ux r0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2050, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,S} +7 C ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2051, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,S} +7 C ux r0 {1,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2052, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 {3,S} +7 C u0 r0 {1,[S,D,T,B,Q]} +8 C u0 r1 {2,[S,D,T,B,Q]} {9,B} +9 C ux {8,B} +""", + kinetics = None, +) + +entry( + index = 2053, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing_Ext-2C-R", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 {3,S} +7 C u0 r0 {1,[S,D,T,B,Q]} +8 C u0 r1 {2,[S,D,T,B,Q]} {9,B} +9 C ux {8,B} +10 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2054, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing_Ext-2C-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 {3,S} +7 C u0 r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +8 C u0 r1 {2,[S,D,T,B,Q]} {9,B} +9 C ux {8,B} +10 C ux {2,[S,D,T,B,Q]} +11 C u0 {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2055, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing_Ext-2C-R_Ext-7R!H-R_Sp-11R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 r0 {3,S} +7 C u0 r0 {1,[S,D,T,B,Q]} {11,D} +8 C u0 r1 {2,[S,D,T,B,Q]} {9,B} +9 C ux r1 {8,B} +10 C ux {2,[S,D,T,B,Q]} +11 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2056, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing_Ext-2C-R_Ext-7R!H-R_N-Sp-11R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 r0 {3,S} +7 C u0 r0 {1,[S,D,T,B,Q]} {11,[S,T,Q,B]} +8 C u0 r1 {2,[S,D,T,B,Q]} {9,B} +9 C ux r1 {8,B} +10 C ux {2,[S,D,T,B,Q]} +11 C u0 r0 {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2057, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 {3,S} +7 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +8 C u0 r1 {2,S} {9,B} +9 C u0 {8,B} +10 C u0 {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2058, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {10,D} +8 C u0 r1 {2,S} {9,B} +9 C u0 r1 {8,B} +10 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2059, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {10,[S,T,Q,B]} +8 C u0 r1 {2,S} {9,B} +9 C u0 r1 {8,B} +10 C u0 r0 {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2060, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,S} +7 C ux r0 {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2061, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,S} +7 C ux r0 {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2062, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-10R!H-R", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,S} {10,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,S} +7 C ux r0 {1,S} +8 C ux r0 {2,S} {9,[S,D,T,B,Q]} +9 C u0 {8,[S,D,T,B,Q]} +10 C u0 {2,S} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2063, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-10R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,S} {10,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,S} +7 C ux r0 {1,S} {12,[S,D,T,B,Q]} +8 C ux r0 {2,S} {9,[S,D,T,B,Q]} +9 C u0 {8,[S,D,T,B,Q]} +10 C u0 {2,S} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C u0 {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2064, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-10R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,S} {10,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux r0 {3,[S,D,T,B,Q]} {5,D} +5 C ux r0 {4,D} +6 C ux {3,S} +7 C ux r0 {1,S} {12,D} +8 C ux r0 {2,S} {9,[S,D,T,B,Q]} +9 C u0 {8,[S,D,T,B,Q]} +10 C u0 r0 {2,S} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2065, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-10R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,S} {10,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux r0 {3,[S,D,T,B,Q]} {5,D} +5 C ux r0 {4,D} +6 C ux {3,S} +7 C ux r0 {1,S} {12,[S,T,Q,B]} +8 C ux r0 {2,S} {9,[S,D,T,B,Q]} +9 C u0 {8,[S,D,T,B,Q]} +10 C u0 r0 {2,S} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C u0 r0 {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2066, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,S} +7 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {2,[S,D,T,B,Q]} +11 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2067, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-7R!H-R_Sp-11R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,S} +7 C ux r0 {1,[S,D,T,B,Q]} {11,D} +8 C ux r0 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {2,[S,D,T,B,Q]} +11 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2068, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-7R!H-R_Sp-11R!H=7R!H_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,S} +7 C ux r0 {1,[S,D,T,B,Q]} {11,D} +8 C ux r0 {2,[S,D,T,B,Q]} {9,D} +9 C ux {8,D} +10 C ux {2,[S,D,T,B,Q]} +11 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2069, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-7R!H-R_Sp-11R!H=7R!H_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,S} +7 C ux r0 {1,[S,D,T,B,Q]} {11,D} +8 C ux r0 {2,[S,D,T,B,Q]} {9,T} +9 C ux {8,T} +10 C ux {2,[S,D,T,B,Q]} +11 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2070, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-7R!H-R_N-Sp-11R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,S} +7 C ux r0 {1,[S,D,T,B,Q]} {11,[S,T,Q,B]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {2,[S,D,T,B,Q]} +11 C ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2071, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,S} +7 C ux r0 {1,[S,D,T,B,Q]} {11,[S,T,Q,B]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,D} +9 C ux {8,D} +10 C ux {2,[S,D,T,B,Q]} +11 C ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2072, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,S} +7 C ux r0 {1,[S,D,T,B,Q]} {11,[S,T,Q,B]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,T} +9 C ux {8,T} +10 C ux {2,[S,D,T,B,Q]} +11 C ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2073, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,S} +7 C ux r0 {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,D} +9 C ux {8,D} +10 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2074, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,S} +7 C ux r0 {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,T} +9 C ux {8,T} +10 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2075, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,S} +7 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2076, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,S} +7 C ux r0 {1,[S,D,T,B,Q]} {10,D} +8 C ux r0 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2077, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,S} +7 C ux r0 {1,[S,D,T,B,Q]} {10,D} +8 C ux r0 {2,[S,D,T,B,Q]} {9,D} +9 C ux {8,D} +10 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2078, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,S} +7 C ux r0 {1,[S,D,T,B,Q]} {10,D} +8 C ux r0 {2,[S,D,T,B,Q]} {9,T} +9 C ux {8,T} +10 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2079, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,S} +7 C ux r0 {1,[S,D,T,B,Q]} {10,[S,T,Q,B]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2080, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,S} +7 C ux r0 {1,[S,D,T,B,Q]} {10,[S,T,Q,B]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,D} +9 C ux {8,D} +10 C ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2081, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,S} +7 C ux r0 {1,[S,D,T,B,Q]} {10,[S,T,Q,B]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,T} +9 C ux {8,T} +10 C ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2082, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,S} +7 C ux r0 {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,D} +9 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 2083, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,S} +7 C ux r0 {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,T} +9 C ux {8,T} +""", + kinetics = None, +) + +entry( + index = 2084, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,S} +7 C ux r0 {1,S} +8 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2085, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-2C-R", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 {3,S} +7 C u0 r0 {1,S} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2086, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-2C-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 {3,S} +7 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +10 C u0 {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2087, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-2C-R_Ext-7R!H-R_Sp-10R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {10,D} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +10 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2088, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-2C-R_Ext-7R!H-R_N-Sp-10R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {10,[S,T,Q,B]} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +10 C u0 r0 {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2089, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,S} +7 C ux r0 {1,S} {9,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} +9 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2090, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,S} +7 C ux r0 {1,S} {9,D} +8 C ux {2,[S,D,T,B,Q]} +9 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2091, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_Sp-8R!H-2C", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,S} +7 C ux r0 {1,S} {9,D} +8 C ux {2,S} +9 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2092, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_N-Sp-8R!H-2C", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,S} +7 C ux r0 {1,S} {9,D} +8 C ux {2,D} +9 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2093, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,S} +7 C ux r0 {1,S} {9,[S,T,Q,B]} +8 C ux {2,[S,D,T,B,Q]} +9 C ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2094, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_Sp-8R!H-2C", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,S} +7 C ux r0 {1,S} {9,[S,T,Q,B]} +8 C ux {2,S} +9 C ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2095, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_N-Sp-8R!H-2C", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,S} +7 C ux r0 {1,S} {9,[S,T,Q,B]} +8 C ux {2,D} +9 C ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2096, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Sp-8R!H-2C", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,S} +7 C ux r0 {1,S} +8 C ux {2,S} +""", + kinetics = None, +) + +entry( + index = 2097, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_N-Sp-8R!H-2C", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,S} +7 C ux r0 {1,S} +8 C ux {2,D} +""", + kinetics = None, +) + +entry( + index = 2098, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_N-Sp-7R!H-1R!H", + group = +""" +1 *1 C u0 {2,D} {7,D} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 {3,S} +7 C u0 r0 {1,D} +8 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2099, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_N-Sp-7R!H-1R!H_Ext-2C-R", + group = +""" +1 *1 C u0 r0 {2,D} {7,D} +2 *2 C u0 r0 {1,D} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} +7 C u0 r0 {1,D} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2100, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Sp-7R!H-1R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,S} +7 C ux r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2101, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Sp-7R!H-1R!H_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,S} +7 C ux r0 {1,S} {8,[S,D,T,B,Q]} +8 C u0 {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2102, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,S} +7 C ux r0 {1,S} {8,D} +8 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2103, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,S} +7 C ux r0 {1,S} {8,[S,T,Q,B]} +8 C u0 r0 {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2104, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_N-Sp-7R!H-1R!H", + group = +""" +1 *1 C u0 {2,D} {7,D} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,S} +7 C ux r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 2105, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_N-2R!H->C", + group = +""" +1 *1 C u0 r0 {2,D} {7,[S,D,T,B,Q]} +2 *2 S u0 r0 {1,D} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 r0 {3,S} +7 C u0 r0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2106, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_N-Sp-6R!H-3R", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 R!H u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,D} +4 C ux r0 {3,[S,D,T,B,Q]} {5,D} +5 C ux r0 {4,D} +6 C ux {3,D} +7 C ux r0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2107, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 R!H u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2108, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2109, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2110, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} +8 C ux r1 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2111, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} +8 C ux r1 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2112, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,S} {10,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,S} +7 C ux r0 {1,S} {11,[S,D,T,B,Q]} +8 C ux r1 {2,S} {9,[S,D,T,B,Q]} +9 C u0 {8,[S,D,T,B,Q]} +10 C u0 {2,S} +11 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2113, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,S} {10,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,S} +7 C ux r0 {1,S} {11,D} +8 C ux r1 {2,S} {9,[S,D,T,B,Q]} +9 C u0 {8,[S,D,T,B,Q]} +10 C u0 {2,S} +11 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2114, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,S} {10,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,S} +7 C ux r0 {1,S} {11,D} +8 C ux r1 {2,S} {9,[S,D,T,B,Q]} +9 C u0 r1 {8,[S,D,T,B,Q]} +10 C u0 r0 {2,S} +11 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2115, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,S} {10,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,S} +7 C ux r0 {1,S} {11,D} +8 C ux r1 {2,S} {9,[S,D,T,B,Q]} +9 C u0 r1 {8,[S,D,T,B,Q]} +10 C u0 r0 {2,S} +11 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2116, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,S} {10,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,S} +7 C ux r0 {1,S} {11,[S,T,Q,B]} +8 C ux r1 {2,S} {9,[S,D,T,B,Q]} +9 C u0 {8,[S,D,T,B,Q]} +10 C u0 {2,S} +11 C ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2117, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,S} {10,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,S} +7 C ux r0 {1,S} {11,[S,T,Q,B]} +8 C ux r1 {2,S} {9,[S,D,T,B,Q]} +9 C u0 r1 {8,[S,D,T,B,Q]} +10 C u0 r0 {2,S} +11 C ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2118, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,S} {10,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,S} +7 C ux r0 {1,S} {11,[S,T,Q,B]} +8 C ux r1 {2,S} {9,[S,D,T,B,Q]} +9 C u0 r1 {8,[S,D,T,B,Q]} +10 C u0 r0 {2,S} +11 C ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2119, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} +8 C ux r1 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} +10 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2120, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} +8 C ux r1 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} +10 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2121, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +8 C ux r1 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2122, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {10,D} +8 C ux r1 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2123, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {10,D} +8 C ux r1 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} +10 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2124, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {10,D} +8 C ux r1 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} +10 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2125, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {10,[S,T,Q,B]} +8 C ux r1 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2126, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {10,[S,T,Q,B]} +8 C ux r1 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} +10 C ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2127, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {10,[S,T,Q,B]} +8 C ux r1 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} +10 C ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2128, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} +8 C ux r1 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2129, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} +8 C ux r1 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2130, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2131, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2132, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2133, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,[S,D,T,B,Q]} +7 C u0 r0 {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +8 C u0 r0 {2,[S,D,T,B,Q]} {9,D} +9 C ux {8,D} +10 C ux {2,[S,D,T,B,Q]} {11,D} +11 C u0 {10,D} +12 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2134, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,[S,D,T,B,Q]} +7 C u0 r0 {1,[S,D,T,B,Q]} {12,D} +8 C u0 r0 {2,[S,D,T,B,Q]} {9,D} +9 C ux {8,D} +10 C ux {2,[S,D,T,B,Q]} {11,D} +11 C u0 {10,D} +12 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2135, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,[S,D,T,B,Q]} +7 C u0 r0 {1,[S,D,T,B,Q]} {12,D} +8 C u0 r0 {2,[S,D,T,B,Q]} {9,D} +9 C ux r0 {8,D} +10 C ux {2,[S,D,T,B,Q]} {11,D} +11 C u0 r0 {10,D} +12 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2136, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,[S,D,T,B,Q]} +7 C u0 r0 {1,[S,D,T,B,Q]} {12,D} +8 C u0 r0 {2,[S,D,T,B,Q]} {9,D} +9 C ux r0 {8,D} +10 C ux {2,[S,D,T,B,Q]} {11,D} +11 C u0 r0 {10,D} +12 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2137, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,[S,D,T,B,Q]} +7 C u0 r0 {1,[S,D,T,B,Q]} {12,[S,T,Q,B]} +8 C u0 r0 {2,[S,D,T,B,Q]} {9,D} +9 C ux {8,D} +10 C ux {2,[S,D,T,B,Q]} {11,D} +11 C u0 {10,D} +12 C ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2138, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,[S,D,T,B,Q]} +7 C u0 r0 {1,[S,D,T,B,Q]} {12,[S,T,Q,B]} +8 C u0 r0 {2,[S,D,T,B,Q]} {9,D} +9 C ux r0 {8,D} +10 C ux {2,[S,D,T,B,Q]} {11,D} +11 C u0 r0 {10,D} +12 C ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2139, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,[S,D,T,B,Q]} +7 C u0 r0 {1,[S,D,T,B,Q]} {12,[S,T,Q,B]} +8 C u0 r0 {2,[S,D,T,B,Q]} {9,D} +9 C ux r0 {8,D} +10 C ux {2,[S,D,T,B,Q]} {11,D} +11 C u0 r0 {10,D} +12 C ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2140, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2141, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2142, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {11,[S,D,T,B,Q]} +8 C u0 r0 {2,S} {9,[S,D,T,B,Q]} +9 C u0 {8,[S,D,T,B,Q]} +10 C u0 {2,S} +11 C u0 {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2143, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {11,D} +8 C u0 r0 {2,S} {9,[S,D,T,B,Q]} +9 C u0 {8,[S,D,T,B,Q]} +10 C u0 {2,S} +11 C u0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2144, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 {4,B} +6 C u0 {3,S} +7 C u0 r0 {1,S} {11,D} +8 C u0 r0 {2,S} {9,[S,D,T,B,Q]} +9 C u0 {8,[S,D,T,B,Q]} +10 C u0 {2,S} +11 C u0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2145, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_4R!H-inRing_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {11,D} +8 C u0 r0 {2,S} {9,D} +9 C u0 r0 {8,D} +10 C u0 r0 {2,S} +11 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2146, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_4R!H-inRing_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {11,D} +8 C u0 r0 {2,S} {9,T} +9 C u0 r0 {8,T} +10 C u0 r0 {2,S} +11 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2147, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,T} +5 C u0 {4,T} +6 C u0 {3,S} +7 C u0 r0 {1,S} {11,D} +8 C u0 r0 {2,S} {9,[S,D,T,B,Q]} +9 C u0 {8,[S,D,T,B,Q]} +10 C u0 {2,S} +11 C u0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2148, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_N-4R!H-inRing_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {11,D} +8 C u0 r0 {2,S} {9,D} +9 C u0 r0 {8,D} +10 C u0 r0 {2,S} +11 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2149, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_N-4R!H-inRing_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {11,D} +8 C u0 r0 {2,S} {9,T} +9 C u0 r0 {8,T} +10 C u0 r0 {2,S} +11 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2150, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {11,[S,T,Q,B]} +8 C u0 r0 {2,S} {9,[S,D,T,B,Q]} +9 C u0 {8,[S,D,T,B,Q]} +10 C u0 {2,S} +11 C u0 {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2151, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 {4,B} +6 C u0 {3,S} +7 C u0 r0 {1,S} {11,T} +8 C u0 r0 {2,S} {9,[S,D,T,B,Q]} +9 C u0 {8,[S,D,T,B,Q]} +10 C u0 {2,S} +11 C u0 {7,T} +""", + kinetics = None, +) + +entry( + index = 2152, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_4R!H-inRing_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {11,T} +8 C u0 r0 {2,S} {9,D} +9 C u0 r0 {8,D} +10 C u0 r0 {2,S} +11 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 2153, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_4R!H-inRing_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {11,T} +8 C u0 r0 {2,S} {9,T} +9 C u0 r0 {8,T} +10 C u0 r0 {2,S} +11 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 2154, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,T} +5 C u0 {4,T} +6 C u0 {3,S} +7 C u0 r0 {1,S} {11,T} +8 C u0 r0 {2,S} {9,[S,D,T,B,Q]} +9 C u0 {8,[S,D,T,B,Q]} +10 C u0 {2,S} +11 C u0 {7,T} +""", + kinetics = None, +) + +entry( + index = 2155, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-4R!H-inRing_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {11,T} +8 C u0 r0 {2,S} {9,D} +9 C u0 r0 {8,D} +10 C u0 r0 {2,S} +11 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 2156, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-4R!H-inRing_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {11,T} +8 C u0 r0 {2,S} {9,T} +9 C u0 r0 {8,T} +10 C u0 r0 {2,S} +11 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 2157, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 {4,B} +6 C u0 {3,S} +7 C u0 r0 {1,S} +8 C u0 r0 {2,S} {9,[S,D,T,B,Q]} +9 C u0 {8,[S,D,T,B,Q]} +10 C u0 {2,S} +""", + kinetics = None, +) + +entry( + index = 2158, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_4R!H-inRing_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} +8 C u0 r0 {2,S} {9,D} +9 C u0 r0 {8,D} +10 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 2159, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_4R!H-inRing_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} +8 C u0 r0 {2,S} {9,T} +9 C u0 r0 {8,T} +10 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 2160, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,T} +5 C u0 {4,T} +6 C u0 {3,S} +7 C u0 r0 {1,S} +8 C u0 r0 {2,S} {9,[S,D,T,B,Q]} +9 C u0 {8,[S,D,T,B,Q]} +10 C u0 {2,S} +""", + kinetics = None, +) + +entry( + index = 2161, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} +8 C u0 r0 {2,S} {9,D} +9 C u0 r0 {8,D} +10 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 2162, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} +8 C u0 r0 {2,S} {9,T} +9 C u0 r0 {8,T} +10 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 2163, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +8 C u0 r0 {2,S} {9,[S,D,T,B,Q]} +9 C u0 {8,[S,D,T,B,Q]} +10 C u0 {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2164, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {10,D} +8 C u0 r0 {2,S} {9,[S,D,T,B,Q]} +9 C u0 {8,[S,D,T,B,Q]} +10 C u0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2165, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {10,D} +8 C u0 r0 {2,S} {9,D} +9 C u0 {8,D} +10 C u0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2166, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_Sp-9R!H=8R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {10,D} +8 C u0 r0 {2,S} {9,D} +9 C u0 r0 {8,D} +10 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2167, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_Sp-9R!H=8R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {10,D} +8 C u0 r0 {2,S} {9,D} +9 C u0 r0 {8,D} +10 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2168, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {10,D} +8 C u0 r0 {2,S} {9,T} +9 C u0 {8,T} +10 C u0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2169, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_N-Sp-9R!H=8R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {10,D} +8 C u0 r0 {2,S} {9,T} +9 C u0 r0 {8,T} +10 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2170, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_N-Sp-9R!H=8R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {10,D} +8 C u0 r0 {2,S} {9,T} +9 C u0 r0 {8,T} +10 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2171, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {10,[S,T,Q,B]} +8 C u0 r0 {2,S} {9,[S,D,T,B,Q]} +9 C u0 {8,[S,D,T,B,Q]} +10 C u0 {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2172, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {10,T} +8 C u0 r0 {2,S} {9,D} +9 C u0 {8,D} +10 C u0 {7,T} +""", + kinetics = None, +) + +entry( + index = 2173, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_Sp-9R!H=8R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {10,T} +8 C u0 r0 {2,S} {9,D} +9 C u0 r0 {8,D} +10 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 2174, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_Sp-9R!H=8R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {10,T} +8 C u0 r0 {2,S} {9,D} +9 C u0 r0 {8,D} +10 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 2175, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {10,T} +8 C u0 r0 {2,S} {9,T} +9 C u0 {8,T} +10 C u0 {7,T} +""", + kinetics = None, +) + +entry( + index = 2176, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-Sp-9R!H=8R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {10,T} +8 C u0 r0 {2,S} {9,T} +9 C u0 r0 {8,T} +10 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 2177, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-Sp-9R!H=8R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {10,T} +8 C u0 r0 {2,S} {9,T} +9 C u0 r0 {8,T} +10 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 2178, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} +8 C u0 r0 {2,S} {9,D} +9 C u0 {8,D} +""", + kinetics = None, +) + +entry( + index = 2179, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-9R!H=8R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} +8 C u0 r0 {2,S} {9,D} +9 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 2180, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-9R!H=8R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} +8 C u0 r0 {2,S} {9,D} +9 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 2181, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} +8 C u0 r0 {2,S} {9,T} +9 C u0 {8,T} +""", + kinetics = None, +) + +entry( + index = 2182, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-9R!H=8R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} +8 C u0 r0 {2,S} {9,T} +9 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 2183, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-9R!H=8R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} +8 C u0 r0 {2,S} {9,T} +9 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 2184, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,S} +8 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2185, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,S} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2186, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,S} {10,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +10 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2187, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_Ext-7R!H-R_Sp-10R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,S} {10,D} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +10 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2188, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_Ext-7R!H-R_Sp-10R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,S} {10,D} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +10 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2189, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_Ext-7R!H-R_Sp-10R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,S} {10,D} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +10 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2190, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_Ext-7R!H-R_N-Sp-10R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,S} {10,[S,T,Q,B]} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +10 C ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2191, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_Ext-7R!H-R_N-Sp-10R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,S} {10,[S,T,Q,B]} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +10 C ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2192, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,S} {10,[S,T,Q,B]} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +10 C ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2193, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,S} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2194, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,S} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2195, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {9,[S,D,T,B,Q]} +8 C u0 {2,[S,D,T,B,Q]} +9 C u0 {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2196, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {9,D} +8 C u0 {2,[S,D,T,B,Q]} +9 C u0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2197, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_Sp-8R!H-2R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {9,D} +8 C u0 {2,S} +9 C u0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2198, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_Sp-8R!H-2R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {9,D} +8 C u0 r0 {2,S} +9 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2199, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_Sp-8R!H-2R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {9,D} +8 C u0 r0 {2,S} +9 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2200, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_N-Sp-8R!H-2R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,D} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {9,D} +8 C u0 {2,D} +9 C u0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2201, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_N-Sp-8R!H-2R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} {8,D} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {9,D} +8 C u0 r0 {2,D} +9 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2202, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_N-Sp-8R!H-2R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} {8,D} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {9,D} +8 C u0 r0 {2,D} +9 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2203, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {9,[S,T,Q,B]} +8 C u0 {2,[S,D,T,B,Q]} +9 C u0 {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2204, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_Sp-8R!H-2R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {9,T} +8 C u0 {2,S} +9 C u0 {7,T} +""", + kinetics = None, +) + +entry( + index = 2205, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_Sp-8R!H-2R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {9,T} +8 C u0 r0 {2,S} +9 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 2206, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_Sp-8R!H-2R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {9,T} +8 C u0 r0 {2,S} +9 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 2207, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_N-Sp-8R!H-2R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,D} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {9,T} +8 C u0 {2,D} +9 C u0 {7,T} +""", + kinetics = None, +) + +entry( + index = 2208, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_N-Sp-8R!H-2R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} {8,D} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {9,T} +8 C u0 r0 {2,D} +9 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 2209, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_N-Sp-8R!H-2R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} {8,D} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {9,T} +8 C u0 r0 {2,D} +9 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 2210, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Sp-8R!H-2R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} +8 C u0 {2,S} +""", + kinetics = None, +) + +entry( + index = 2211, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Sp-8R!H-2R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} +8 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 2212, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Sp-8R!H-2R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} +8 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 2213, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_N-Sp-8R!H-2R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,D} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} +8 C u0 {2,D} +""", + kinetics = None, +) + +entry( + index = 2214, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_N-Sp-8R!H-2R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} {8,D} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} +8 C u0 r0 {2,D} +""", + kinetics = None, +) + +entry( + index = 2215, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_N-Sp-8R!H-2R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} {8,D} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} +8 C u0 r0 {2,D} +""", + kinetics = None, +) + +entry( + index = 2216, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-7R!H-1R!H", + group = +""" +1 *1 C u0 {2,D} {7,D} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,D} +8 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2217, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-7R!H-1R!H_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,D} {7,D} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,D} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2218, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-7R!H-1R!H_Ext-2R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {7,D} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,D} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2219, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-7R!H-1R!H_Ext-2R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {7,D} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,D} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2220, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-7R!H-1R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {7,D} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,D} +8 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2221, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-7R!H-1R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {7,D} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,D} +8 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2222, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2223, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2224, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {8,D} +8 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2225, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-8R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {8,D} +8 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2226, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-8R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {8,D} +8 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2227, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {8,[S,T,Q,B]} +8 C ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2228, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {8,[S,T,Q,B]} +8 C ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2229, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {8,[S,T,Q,B]} +8 C ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2230, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2231, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2232, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-1R!H", + group = +""" +1 *1 C u0 {2,D} {7,D} +2 *2 R!H u0 {1,D} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 R!H ux r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 2233, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-1R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,D} +2 *2 R!H u0 {1,D} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 R!H ux r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 2234, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-1R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,D} +2 *2 R!H u0 {1,D} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 R!H ux r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 2235, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H", + group = +""" +1 *1 C u0 {2,T} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,T} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2236, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,T} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2237, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,T} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2238, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,T} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {9,D} +9 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 2239, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,T} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {8,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} +8 C u0 {2,S} {9,D} +9 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 2240, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_Sp-5R!H=4R!H_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,T} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {8,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +8 C u0 {2,S} {9,D} +9 C ux {8,D} +10 C u0 {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2241, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H", + group = +""" +1 *1 C u0 {2,T} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {8,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {10,D} +8 C u0 r0 {2,S} {9,D} +9 C ux {8,D} +10 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2242, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H", + group = +""" +1 *1 C u0 {2,T} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {8,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {10,[S,T,Q,B]} +8 C u0 r0 {2,S} {9,D} +9 C ux {8,D} +10 C u0 r0 {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2243, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,T} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {9,D} +9 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 2244, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,T} {7,S} +2 *2 C u0 {1,T} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {9,D} +9 C u0 {8,D} +10 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2245, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H", + group = +""" +1 *1 C u0 {2,T} {7,S} +2 *2 C u0 {1,T} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {10,D} +8 C ux {2,[S,D,T,B,Q]} {9,D} +9 C u0 {8,D} +10 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2246, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} {7,S} +2 *2 C u0 r0 {1,T} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {10,D} +8 C ux {2,[S,D,T,B,Q]} {9,D} +9 C u0 r0 {8,D} +10 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2247, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} {7,S} +2 *2 C u0 r0 {1,T} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {10,D} +8 C ux {2,[S,D,T,B,Q]} {9,D} +9 C u0 r0 {8,D} +10 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2248, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H", + group = +""" +1 *1 C u0 {2,T} {7,S} +2 *2 C u0 {1,T} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {10,[S,T,Q,B]} +8 C ux {2,[S,D,T,B,Q]} {9,D} +9 C u0 {8,D} +10 C ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2249, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} {7,S} +2 *2 C u0 r0 {1,T} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {10,[S,T,Q,B]} +8 C ux {2,[S,D,T,B,Q]} {9,D} +9 C u0 r0 {8,D} +10 C ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2250, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} {7,S} +2 *2 C u0 r0 {1,T} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {10,[S,T,Q,B]} +8 C ux {2,[S,D,T,B,Q]} {9,D} +9 C u0 r0 {8,D} +10 C ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2251, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,T} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {9,D} +9 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 2252, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,T} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {9,D} +9 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 2253, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,T} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {9,[S,T,Q,B]} +9 C ux {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2254, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,T} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {8,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} +8 C u0 {2,S} {9,[S,T,Q,B]} +9 C ux {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2255, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_Sp-5R!H=4R!H_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,T} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {8,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +8 C u0 {2,S} {9,[S,T,Q,B]} +9 C ux {8,[S,T,Q,B]} +10 C u0 {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2256, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H", + group = +""" +1 *1 C u0 {2,T} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {8,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {10,D} +8 C u0 r0 {2,S} {9,[S,T,Q,B]} +9 C ux {8,[S,T,Q,B]} +10 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2257, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H", + group = +""" +1 *1 C u0 {2,T} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {8,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {10,[S,T,Q,B]} +8 C u0 r0 {2,S} {9,[S,T,Q,B]} +9 C ux {8,[S,T,Q,B]} +10 C u0 r0 {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2258, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,T} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {9,[S,T,Q,B]} +9 C ux {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2259, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,T} {7,S} +2 *2 C u0 {1,T} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {9,T} +9 C u0 {8,T} +10 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2260, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H", + group = +""" +1 *1 C u0 {2,T} {7,S} +2 *2 C u0 {1,T} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {10,D} +8 C ux {2,[S,D,T,B,Q]} {9,T} +9 C u0 {8,T} +10 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2261, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} {7,S} +2 *2 C u0 r0 {1,T} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {10,D} +8 C ux {2,[S,D,T,B,Q]} {9,T} +9 C u0 r0 {8,T} +10 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2262, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} {7,S} +2 *2 C u0 r0 {1,T} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {10,D} +8 C ux {2,[S,D,T,B,Q]} {9,T} +9 C u0 r0 {8,T} +10 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2263, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H", + group = +""" +1 *1 C u0 {2,T} {7,S} +2 *2 C u0 {1,T} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {10,[S,T,Q,B]} +8 C ux {2,[S,D,T,B,Q]} {9,T} +9 C u0 {8,T} +10 C ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2264, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} {7,S} +2 *2 C u0 r0 {1,T} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {10,[S,T,Q,B]} +8 C ux {2,[S,D,T,B,Q]} {9,T} +9 C u0 r0 {8,T} +10 C ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2265, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} {7,S} +2 *2 C u0 r0 {1,T} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {10,[S,T,Q,B]} +8 C ux {2,[S,D,T,B,Q]} {9,T} +9 C u0 r0 {8,T} +10 C ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2266, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,T} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {9,[S,T,Q,B]} +9 C ux {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2267, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,T} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {9,[S,T,Q,B]} +9 C ux {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2268, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,T} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2269, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,T} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} +9 C u0 {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2270, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H", + group = +""" +1 *1 C u0 {2,T} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {9,D} +8 C ux {2,[S,D,T,B,Q]} +9 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2271, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H", + group = +""" +1 *1 C u0 {2,T} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {9,[S,T,Q,B]} +8 C ux {2,[S,D,T,B,Q]} +9 C u0 r0 {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2272, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,T} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2273, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,T} {7,S} +2 *2 C u0 {1,T} {8,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {9,[S,D,T,B,Q]} +8 C u0 {2,S} +9 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2274, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H", + group = +""" +1 *1 C u0 {2,T} {7,S} +2 *2 C u0 {1,T} {8,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {9,D} +8 C u0 {2,S} +9 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2275, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} {7,S} +2 *2 C u0 r0 {1,T} {8,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {9,D} +8 C u0 r0 {2,S} +9 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2276, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} {7,S} +2 *2 C u0 r0 {1,T} {8,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {9,D} +8 C u0 r0 {2,S} +9 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2277, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H", + group = +""" +1 *1 C u0 {2,T} {7,S} +2 *2 C u0 {1,T} {8,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {9,[S,T,Q,B]} +8 C u0 {2,S} +9 C ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2278, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} {7,S} +2 *2 C u0 r0 {1,T} {8,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {9,[S,T,Q,B]} +8 C u0 r0 {2,S} +9 C ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2279, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} {7,S} +2 *2 C u0 r0 {1,T} {8,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {9,[S,T,Q,B]} +8 C u0 r0 {2,S} +9 C ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2280, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,T} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2281, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,T} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2282, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,T} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,T} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2283, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Sp-5R!H=4R!H_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,T} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,T} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C u0 {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2284, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Sp-5R!H=4R!H_Ext-7R!H-R_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,T} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,T} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {8,D} +8 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2285, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,T} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,T} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {8,[S,T,Q,B]} +8 C u0 r0 {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2286, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,T} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,T} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2287, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,T} {7,S} +2 *2 C u0 {1,T} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2288, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,T} {7,S} +2 *2 C u0 {1,T} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {8,D} +8 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2289, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-8R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} {7,S} +2 *2 C u0 r0 {1,T} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {8,D} +8 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2290, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-8R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} {7,S} +2 *2 C u0 r0 {1,T} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {8,D} +8 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2291, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,T} {7,S} +2 *2 C u0 {1,T} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {8,[S,T,Q,B]} +8 C ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2292, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} {7,S} +2 *2 C u0 r0 {1,T} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {8,[S,T,Q,B]} +8 C ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2293, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} {7,S} +2 *2 C u0 r0 {1,T} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {8,[S,T,Q,B]} +8 C ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2294, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,T} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,T} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2295, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,T} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,T} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2296, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R", + group = +""" +1 *1 R!H u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2297, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r1 {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2298, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C u0 {3,[S,D,T,B,Q]} {5,D} +5 C u0 {4,D} +6 C u0 {3,[S,D,T,B,Q]} +7 R!H ux r1 {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2299, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C u0 r0 {3,[S,D,T,B,Q]} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,[S,D,T,B,Q]} +7 R!H ux r1 {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2300, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r1 {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2301, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} {6,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,S} +7 R!H ux r1 {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2302, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} {6,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,S} +7 R!H ux r1 {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2303, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} {6,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,S} +7 R!H ux r1 {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2304, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2305, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2306, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing", + group = +""" +1 *1 R!H u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r0 {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2307, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2308, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2309, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2310, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2311, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-9R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {7,[S,D,T,B,Q]} {9,S} +3 *3 C u[1,2,3,4] r0 {4,S} {6,[S,D,T,B,Q]} +4 C ux r0 {3,S} {5,D} +5 C ux r0 {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +10 R!H ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2312, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2313, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2314, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2315, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +""", + kinetics = None, +) + +entry( + index = 2316, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} {7,S} +3 *3 C u1 r0 {4,[S,D,T,B,Q]} {6,S} +4 C u0 {3,[S,D,T,B,Q]} {5,D} +5 C u0 {4,D} +6 C u0 {3,S} +7 C u0 r0 {2,S} {8,[S,D,T,B,Q]} +8 C u0 {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2317, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} {7,S} +3 *3 C u1 r0 {4,[S,D,T,B,Q]} {6,S} +4 C u0 {3,[S,D,T,B,Q]} {5,D} +5 C u0 {4,D} +6 C u0 r0 {3,S} +7 C u0 r0 {2,S} {8,D} +8 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2318, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} {7,S} +3 *3 C u1 r0 {4,[S,D,T,B,Q]} {6,S} +4 C u0 {3,[S,D,T,B,Q]} {5,D} +5 C u0 {4,D} +6 C u0 r0 {3,S} +7 C u0 r0 {2,S} {8,T} +8 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 2319, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2320, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {7,S} +3 *3 C u1 r0 {4,[S,D,T,B,Q]} {6,S} +4 C u0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {2,S} {8,[S,D,T,B,Q]} +8 C u0 {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2321, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {7,S} {9,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,[S,D,T,B,Q]} {6,S} +4 C u0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {2,S} {8,[S,D,T,B,Q]} +8 C u0 {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2322, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-9R!H-R", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {7,S} {9,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,[S,D,T,B,Q]} {6,S} +4 C u0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {2,S} {8,D} +8 C u0 {7,D} +9 C ux {2,[S,D,T,B,Q]} {10,D} +10 C u0 {9,D} +""", + kinetics = None, +) + +entry( + index = 2323, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-9R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {7,S} {9,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,[S,D,T,B,Q]} {6,S} +4 C u0 r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {2,S} {8,D} +8 C u0 r0 {7,D} +9 C ux {2,[S,D,T,B,Q]} {10,D} +10 C u0 r0 {9,D} +""", + kinetics = None, +) + +entry( + index = 2324, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-9R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {7,S} {9,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,[S,D,T,B,Q]} {6,S} +4 C u0 r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {2,S} {8,D} +8 C u0 r0 {7,D} +9 C ux {2,[S,D,T,B,Q]} {10,D} +10 C u0 r0 {9,D} +""", + kinetics = None, +) + +entry( + index = 2325, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 {4,B} +6 C u0 {3,S} +7 C u0 r0 {2,S} {8,[S,D,T,B,Q]} +8 C u0 {7,[S,D,T,B,Q]} +9 C u0 {2,S} +""", + kinetics = None, +) + +entry( + index = 2326, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 C u0 r0 {3,S} +7 C u0 r0 {2,S} {8,D} +8 C u0 r0 {7,D} +9 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 2327, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 C u0 r0 {3,S} +7 C u0 r0 {2,S} {8,T} +8 C u0 r0 {7,T} +9 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 2328, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,T} +5 C u0 {4,T} +6 C u0 {3,S} +7 C u0 r0 {2,S} {8,[S,D,T,B,Q]} +8 C u0 {7,[S,D,T,B,Q]} +9 C u0 {2,S} +""", + kinetics = None, +) + +entry( + index = 2329, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 C u0 r0 {3,S} +7 C u0 r0 {2,S} {8,D} +8 C u0 r0 {7,D} +9 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 2330, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 C u0 r0 {3,S} +7 C u0 r0 {2,S} {8,T} +8 C u0 r0 {7,T} +9 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 2331, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {2,S} {8,D} +8 C u0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2332, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {2,S} {8,D} +8 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2333, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {2,S} {8,D} +8 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2334, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {2,S} {8,T} +8 C u0 {7,T} +""", + kinetics = None, +) + +entry( + index = 2335, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {2,S} {8,T} +8 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 2336, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {2,S} {8,T} +8 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 2337, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} {6,[S,D,T,B,Q]} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2338, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} {6,[S,D,T,B,Q]} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2339, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Sp-8R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} +2 *2 C u0 r0 {1,T} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} {6,[S,D,T,B,Q]} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2340, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Sp-8R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} +2 *2 C u0 r0 {1,T} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} {6,[S,D,T,B,Q]} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2341, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} {6,[S,D,T,B,Q]} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +""", + kinetics = None, +) + +entry( + index = 2342, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_N-Sp-8R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} +2 *2 C u0 r0 {1,T} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} {6,[S,D,T,B,Q]} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +""", + kinetics = None, +) + +entry( + index = 2343, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} +2 *2 C u0 r0 {1,T} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} {6,[S,D,T,B,Q]} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +""", + kinetics = None, +) + +entry( + index = 2344, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R", + group = +""" +1 *1 R!H u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,S} +7 R!H ux r0 {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2345, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H", + group = +""" +1 *1 R!H u0 {2,D} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,S} +7 R!H ux r0 {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2346, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_Sp-5R!H=4R!H", + group = +""" +1 *1 R!H u0 {2,D} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,S} +7 R!H ux r0 {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2347, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Ext-2R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} +7 R!H ux r0 {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2348, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-7R!H-2R!H", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {7,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,S} +7 C ux r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 2349, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_Sp-5R!H=4R!H_N-Sp-7R!H-2R!H", + group = +""" +1 *1 R!H u0 {2,D} +2 *2 C u0 {1,D} {7,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,S} +7 R!H ux r0 {2,D} +""", + kinetics = None, +) + +entry( + index = 2350, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H", + group = +""" +1 *1 R!H u0 {2,D} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,S} +7 R!H ux r0 {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2351, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,S} +7 R!H ux r0 {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2352, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,S} +7 R!H ux r0 {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2353, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,S} +7 R!H ux r0 {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2354, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-2R!H", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 2355, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-2R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 2356, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-2R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 2357, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-2R!H", + group = +""" +1 *1 R!H u0 {2,D} +2 *2 C u0 {1,D} {7,D} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 R!H ux r0 {2,D} +""", + kinetics = None, +) + +entry( + index = 2358, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-2R!H_4R!H-inRing", + group = +""" +1 *1 R!H u0 {2,D} +2 *2 C u0 r0 {1,D} {7,D} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 R!H ux r0 {2,D} +""", + kinetics = None, +) + +entry( + index = 2359, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-2R!H_N-4R!H-inRing", + group = +""" +1 *1 R!H u0 {2,D} +2 *2 C u0 r0 {1,D} {7,D} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 R!H ux r0 {2,D} +""", + kinetics = None, +) + +entry( + index = 2360, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_N-Sp-2R!H=1R!H", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,S} +7 C ux r0 {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2361, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_N-Sp-2R!H=1R!H_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} {7,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,S} +7 C ux r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 2362, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} {7,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2363, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} +2 *2 C u0 r0 {1,T} {7,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2364, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} +2 *2 C u0 r0 {1,T} {7,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2365, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_N-Sp-6R!H-3R", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,D} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,D} +7 C ux r0 {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2366, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u1 r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C u0 {3,[S,D,T,B,Q]} {5,D} +5 C u0 {4,D} +6 C u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2367, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} +3 *3 C u1 r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C u0 r0 {3,[S,D,T,B,Q]} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2368, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} +3 *3 C u1 r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C u0 r0 {3,[S,D,T,B,Q]} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2369, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,S} {6,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,S} +""", + kinetics = None, +) + +entry( + index = 2370, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,S} {6,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,S} +""", + kinetics = None, +) + +entry( + index = 2371, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,S} {6,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,S} +""", + kinetics = None, +) + +entry( + index = 2372, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,S} {6,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,S} +""", + kinetics = None, +) + +entry( + index = 2373, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} +3 *3 C u[1,2,3,4] r0 {4,S} {6,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,S} +""", + kinetics = None, +) + +entry( + index = 2374, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} +2 *2 C u0 r0 {1,T} +3 *3 C u[1,2,3,4] r0 {4,S} {6,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,S} +""", + kinetics = None, +) + +entry( + index = 2375, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} +2 *2 C u0 r0 {1,T} +3 *3 C u[1,2,3,4] r0 {4,S} {6,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,S} +""", + kinetics = None, +) + +entry( + index = 2376, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2377, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2378, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2379, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2380, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 2381, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R", + group = +""" +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2382, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 C ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2383, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 C ux {1,[S,D,T,B,Q]} {9,D} +9 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 2384, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,T} {8,S} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux {2,[S,D,T,B,Q]} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {1,S} {9,D} +9 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 2385, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {6,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {2,S} {7,D} +7 C ux {6,D} +8 C ux {1,[S,D,T,B,Q]} {9,D} +9 C u0 {8,D} +""", + kinetics = None, +) + +entry( + index = 2386, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,T} {6,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {2,S} {7,D} +7 C ux {6,D} +8 C ux {1,[S,D,T,B,Q]} {9,D} +9 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 2387, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,T} {6,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {2,S} {7,D} +7 C ux {6,D} +8 C ux {1,[S,D,T,B,Q]} {9,D} +9 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 2388, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 C ux {1,[S,D,T,B,Q]} {9,[S,T,Q,B]} +9 C ux {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2389, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,T} {8,S} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux {2,[S,D,T,B,Q]} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {1,S} {9,[S,T,Q,B]} +9 C ux {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2390, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {6,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {2,S} {7,D} +7 C ux {6,D} +8 C ux {1,[S,D,T,B,Q]} {9,T} +9 C u0 {8,T} +""", + kinetics = None, +) + +entry( + index = 2391, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,T} {6,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {2,S} {7,D} +7 C ux {6,D} +8 C ux {1,[S,D,T,B,Q]} {9,T} +9 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 2392, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,T} {6,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {2,S} {7,D} +7 C ux {6,D} +8 C ux {1,[S,D,T,B,Q]} {9,T} +9 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 2393, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2394, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,T} {8,S} +2 *2 C u0 {1,T} {6,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {2,S} {7,D} +7 C u0 {6,D} +8 C u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2395, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} {8,S} +2 *2 C u0 r0 {1,T} {6,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {2,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2396, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} {8,S} +2 *2 C u0 r0 {1,T} {6,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {2,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2397, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 2398, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} {6,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {2,S} {7,D} +7 C u0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2399, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-Sp-5R!H=4R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} +2 *2 C u0 r0 {1,T} {6,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {2,S} {7,D} +7 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2400, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} +2 *2 C u0 r0 {1,T} {6,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {2,S} {7,D} +7 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2401, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,[S,T,Q,B]} +7 C ux {6,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2402, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R", + group = +""" +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,[S,T,Q,B]} +7 C ux {6,[S,T,Q,B]} +8 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2403, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,[S,T,Q,B]} +7 C ux {6,[S,T,Q,B]} +8 C ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2404, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,[S,T,Q,B]} +7 C ux {6,[S,T,Q,B]} +8 C ux {1,[S,D,T,B,Q]} {9,D} +9 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 2405, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,T} {8,S} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux {2,[S,D,T,B,Q]} {7,T} +7 C u0 r0 {6,T} +8 C u0 r0 {1,S} {9,D} +9 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 2406, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {6,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {2,S} {7,[S,T,Q,B]} +7 C ux {6,[S,T,Q,B]} +8 C ux {1,[S,D,T,B,Q]} {9,D} +9 C u0 {8,D} +""", + kinetics = None, +) + +entry( + index = 2407, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,T} {6,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {2,S} {7,[S,T,Q,B]} +7 C ux {6,[S,T,Q,B]} +8 C ux {1,[S,D,T,B,Q]} {9,D} +9 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 2408, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,T} {6,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {2,S} {7,[S,T,Q,B]} +7 C ux {6,[S,T,Q,B]} +8 C ux {1,[S,D,T,B,Q]} {9,D} +9 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 2409, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,[S,T,Q,B]} +7 C ux {6,[S,T,Q,B]} +8 C ux {1,[S,D,T,B,Q]} {9,[S,T,Q,B]} +9 C ux {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2410, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,T} {8,S} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux {2,[S,D,T,B,Q]} {7,T} +7 C u0 r0 {6,T} +8 C u0 r0 {1,S} {9,[S,T,Q,B]} +9 C ux {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2411, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {6,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {2,S} {7,[S,T,Q,B]} +7 C ux {6,[S,T,Q,B]} +8 C ux {1,[S,D,T,B,Q]} {9,T} +9 C u0 {8,T} +""", + kinetics = None, +) + +entry( + index = 2412, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,T} {6,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {2,S} {7,[S,T,Q,B]} +7 C ux {6,[S,T,Q,B]} +8 C ux {1,[S,D,T,B,Q]} {9,T} +9 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 2413, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,T} {6,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {2,S} {7,[S,T,Q,B]} +7 C ux {6,[S,T,Q,B]} +8 C ux {1,[S,D,T,B,Q]} {9,T} +9 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 2414, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux {2,[S,D,T,B,Q]} {7,[S,T,Q,B]} +7 C ux {6,[S,T,Q,B]} +8 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2415, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,T} {8,S} +2 *2 C u0 {1,T} {6,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {2,S} {7,T} +7 C u0 {6,T} +8 C u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2416, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} {8,S} +2 *2 C u0 r0 {1,T} {6,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {2,S} {7,T} +7 C u0 r0 {6,T} +8 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2417, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} {8,S} +2 *2 C u0 r0 {1,T} {6,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {2,S} {7,T} +7 C u0 r0 {6,T} +8 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2418, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Sp-5R!H#4R!H", + group = +""" +1 *1 C u0 r0 {2,T} +2 *2 C u0 r0 {1,T} {6,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 C u0 r0 {2,S} {7,T} +7 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2419, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-Sp-5R!H#4R!H", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} {6,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,D]} +5 C u0 {4,[B,D]} +6 C u0 {2,S} {7,T} +7 C u0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2420, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-Sp-5R!H#4R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} +2 *2 C u0 r0 {1,T} {6,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,D]} +5 C u0 {4,[B,D]} +6 C u0 r0 {2,S} {7,T} +7 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2421, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-Sp-5R!H#4R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} +2 *2 C u0 r0 {1,T} {6,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,D]} +5 C u0 {4,[B,D]} +6 C u0 r0 {2,S} {7,T} +7 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2422, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Sp-5R!H-4R!H", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 C ux {4,S} +6 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2423, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,D,T]} +5 C ux {4,[B,D,T]} +6 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2424, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2425, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-1R!H-R", + group = +""" +1 *1 C u0 {2,T} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux {2,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2426, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,T} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux {2,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C u0 {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2427, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,T} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,D} +5 C ux r0 {4,D} +6 C ux {2,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} {8,D} +8 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2428, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,T} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,D} +5 C ux r0 {4,D} +6 C ux {2,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} {8,[S,T,Q,B]} +8 C u0 r0 {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2429, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2430, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R", + group = +""" +1 *1 C u0 {2,T} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {2,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2431, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,T} {7,S} +2 *2 C u0 {1,T} {6,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {2,S} +7 C u0 {1,S} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2432, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,T} {7,S} +2 *2 C u0 {1,T} {6,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {2,S} +7 C u0 {1,S} {8,D} +8 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2433, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} {7,S} +2 *2 C u0 r0 {1,T} {6,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {2,S} +7 C u0 r0 {1,S} {8,D} +8 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2434, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} {7,S} +2 *2 C u0 r0 {1,T} {6,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {2,S} +7 C u0 r0 {1,S} {8,D} +8 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2435, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,T} {7,S} +2 *2 C u0 {1,T} {6,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {2,S} +7 C u0 {1,S} {8,[S,T,Q,B]} +8 C ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2436, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} {7,S} +2 *2 C u0 r0 {1,T} {6,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {2,S} +7 C u0 r0 {1,S} {8,[S,T,Q,B]} +8 C ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2437, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} {7,S} +2 *2 C u0 r0 {1,T} {6,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {2,S} +7 C u0 r0 {1,S} {8,[S,T,Q,B]} +8 C ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2438, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 {2,T} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {2,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2439, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,T} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {2,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2440, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2441, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} +2 *2 C u0 r0 {1,T} {6,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 2442, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R", + group = +""" +1 *1 C u0 {2,T} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,T} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2443, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,T} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,T} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2444, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,T} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,T} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 2445, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 r0 {2,T} {6,S} +2 *2 C u0 r0 {1,T} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 r0 {1,S} {7,D} +7 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 2446, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,T} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,T} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {1,[S,D,T,B,Q]} {7,D} +7 C u0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2447, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-Sp-5R!H=4R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,T} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,T} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {1,[S,D,T,B,Q]} {7,D} +7 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2448, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,T} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,T} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {1,[S,D,T,B,Q]} {7,D} +7 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2449, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,T} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,T} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {7,[S,T,Q,B]} +7 C ux {6,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2450, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 r0 {2,T} {6,S} +2 *2 C u0 r0 {1,T} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 r0 {1,S} {7,[S,T,Q,B]} +7 C ux {6,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2451, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,T} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,T} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {1,[S,D,T,B,Q]} {7,T} +7 C u0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2452, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-Sp-5R!H=4R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,T} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,T} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {1,[S,D,T,B,Q]} {7,T} +7 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2453, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,T} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,T} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {1,[S,D,T,B,Q]} {7,T} +7 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2454, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 {2,T} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,T} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2455, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,T} {6,S} +2 *2 C u0 {1,T} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[S,D,T,B,Q]} +5 C u0 {4,[S,D,T,B,Q]} +6 C u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2456, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-4R!H-inRing_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 r0 {2,T} {6,S} +2 *2 C u0 r0 {1,T} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2457, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-4R!H-inRing_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 r0 {2,T} {6,S} +2 *2 C u0 r0 {1,T} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 r0 {4,[B,T]} +6 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2458, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 r0 {2,T} +2 *2 C u0 r0 {1,T} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +""", + kinetics = None, +) + +entry( + index = 2459, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,T,B]} +5 C ux {4,[S,T,B]} +""", + kinetics = None, +) + +entry( + index = 2460, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H=4R!H_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,T,B]} +5 C ux {4,[S,T,B]} {6,[S,D,T,B,Q]} +6 C u0 {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2461, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H=4R!H_Ext-5R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} +2 *2 C u0 r0 {1,T} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} {6,B} +6 C u0 r1 {5,B} +""", + kinetics = None, +) + +entry( + index = 2462, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H=4R!H_Ext-5R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[S,T,B]} +5 C ux {4,[S,T,B]} {6,[S,D,T,B,Q]} +6 C u0 {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2463, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_N-Sp-4R!H-3R", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2464, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_N-Sp-4R!H-3R_5R!H-inRing", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux r0 {3,D} {5,[S,D,T,B,Q]} +5 C ux r1 {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2465, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_N-Sp-4R!H-3R_N-5R!H-inRing", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} +3 *3 C u1 r0 {4,D} +4 C u0 {3,D} {5,D} +5 C u0 r0 {4,D} +""", + kinetics = None, +) + +entry( + index = 2466, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_N-Sp-4R!H-3R_N-5R!H-inRing_Ext-2R!H-R", + group = +""" +1 *1 C u0 r0 {2,T} +2 *2 C u0 r0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,D} +4 C u0 {3,D} {5,D} +5 C u0 r0 {4,D} +6 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2467, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_N-Sp-4R!H-3R_N-5R!H-inRing_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} +3 *3 C u1 r0 {4,D} +4 C u0 {3,D} {5,D} +5 C u0 r0 {4,D} {6,[S,D,T,B,Q]} +6 C u0 {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2468, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_N-Sp-4R!H-3R_N-5R!H-inRing_Ext-5R!H-R_Sp-6R!H-5R!H", + group = +""" +1 *1 C u0 r0 {2,T} +2 *2 C u0 r0 {1,T} +3 *3 C u1 r0 {4,D} +4 C u0 r0 {3,D} {5,D} +5 C u0 r0 {4,D} {6,S} +6 C u0 r0 {5,S} +""", + kinetics = None, +) + +entry( + index = 2469, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_N-Sp-4R!H-3R_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H-5R!H", + group = +""" +1 *1 C u0 r0 {2,T} +2 *2 C u0 r0 {1,T} +3 *3 C u1 r0 {4,D} +4 C u0 r0 {3,D} {5,D} +5 C u0 r0 {4,D} {6,[B,D,T,Q]} +6 C u0 r0 {5,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 2470, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H", + group = +""" +1 *1 C u0 {2,[B,D]} +2 *2 R!H u0 {1,[B,D]} +3 *3 R u[1,2,3,4] r0 {4,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2471, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R", + group = +""" +1 *1 C u0 {2,[B,D]} +2 *2 R!H u0 {1,[B,D]} +3 *3 R u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2472, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} +3 *3 R u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2473, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 R!H ux r1 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2474, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 R!H ux r1 {1,[S,D,T,B,Q]} +7 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2475, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +8 C ux {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2476, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +8 C ux {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2477, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +8 C ux {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {7,[S,D,T,B,Q]} +11 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2478, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +8 C ux {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {7,[S,D,T,B,Q]} +11 C ux {1,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2479, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {12,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C u0 r1 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +8 C ux r1 {6,[S,D,T,B,Q]} {9,B} +9 C u0 r1 {8,B} +10 C ux r1 {7,[S,D,T,B,Q]} +11 C ux {1,[S,D,T,B,Q]} +12 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 2480, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} {11,S} +2 *2 C u0 {1,D} {7,S} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r1 {1,S} {8,B} +7 C ux r1 {2,S} {10,B} +8 C u0 {6,B} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C u0 {7,B} +11 C u0 {1,S} +12 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2481, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {11,S} +2 *2 C u0 r0 {1,D} {7,S} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r1 {1,S} {8,B} +7 C ux r1 {2,S} {10,B} +8 C u0 r1 {6,B} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} +10 C u0 r1 {7,B} +11 C u0 r0 {1,S} +12 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2482, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {11,S} +2 *2 C u0 r0 {1,D} {7,S} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r1 {1,S} {8,B} +7 C ux r1 {2,S} {10,B} +8 C u0 r1 {6,B} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} +10 C u0 r1 {7,B} +11 C u0 r0 {1,S} +12 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2483, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +8 C ux r1 {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} +10 C ux r1 {7,[S,D,T,B,Q]} +11 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2484, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} {11,S} +2 *2 C u0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r1 {1,S} {8,B} +7 C u0 r1 {2,S} {10,B} +8 C u0 {6,B} {9,B} +9 C u0 {8,B} +10 C u0 {7,B} +11 C u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2485, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {11,S} +2 *2 C u0 r0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r1 {1,S} {8,B} +7 C u0 r1 {2,S} {10,B} +8 C u0 r1 {6,B} {9,B} +9 C u0 r1 {8,B} +10 C u0 r1 {7,B} +11 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2486, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {11,S} +2 *2 C u0 r0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r1 {1,S} {8,B} +7 C u0 r1 {2,S} {10,B} +8 C u0 r1 {6,B} {9,B} +9 C u0 r1 {8,B} +10 C u0 r1 {7,B} +11 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2487, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +8 C ux {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {7,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2488, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {11,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 r1 {1,S} {8,B} +7 C u0 r1 {2,S} {10,B} +8 C u0 r1 {6,B} {9,B} +9 C u0 r1 {8,B} +10 C u0 r1 {7,B} +11 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 2489, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +8 C ux {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {7,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2490, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +8 C ux r1 {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} +10 C ux r1 {7,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2491, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +8 C ux r1 {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} +10 C ux r1 {7,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2492, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_1R!H-inRing", + group = +""" +1 *1 C u0 r1 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +8 C ux r1 {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} +10 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2493, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_N-1R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +8 C ux {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2494, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_N-1R!H-inRing_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 r1 {1,S} {8,B} +7 C u0 r1 {2,S} {10,B} +8 C u0 r1 {6,B} {9,B} +9 C u0 r1 {8,B} +10 C u0 r1 {7,B} +""", + kinetics = None, +) + +entry( + index = 2495, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_N-1R!H-inRing_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 r0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +8 C ux {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2496, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_N-1R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +8 C ux r1 {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} +10 C ux r1 {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2497, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_N-1R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +8 C ux r1 {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} +10 C ux r1 {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2498, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +8 C ux {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2499, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +8 C ux {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {7,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2500, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +8 C ux {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {7,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +12 C ux {11,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2501, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +8 C ux {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {7,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +12 C ux {11,[S,D,T,B,Q]} +13 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2502, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {13,S} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {11,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r1 {1,[S,D,T,B,Q]} {8,B} +7 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +8 C u0 r1 {6,B} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} +10 C u0 {7,[S,D,T,B,Q]} +11 C u0 r0 {2,S} {12,[S,D,T,B,Q]} +12 C ux {11,[S,D,T,B,Q]} +13 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2503, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} {13,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,S} {11,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r1 {1,S} {8,[S,D,T,B,Q]} +7 C u0 r0 {2,S} {10,D} +8 C ux {6,[S,D,T,B,Q]} {9,B} +9 C u0 {8,B} +10 C ux {7,D} +11 C ux {2,[S,D,T,B,Q]} {12,D} +12 C u0 {11,D} +13 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2504, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {13,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {7,S} {11,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r1 {1,S} {8,[S,D,T,B,Q]} +7 C u0 r0 {2,S} {10,D} +8 C ux r1 {6,[S,D,T,B,Q]} {9,B} +9 C u0 r1 {8,B} +10 C ux r0 {7,D} +11 C ux {2,[S,D,T,B,Q]} {12,D} +12 C u0 r0 {11,D} +13 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2505, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {13,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {7,S} {11,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r1 {1,S} {8,[S,D,T,B,Q]} +7 C u0 r0 {2,S} {10,D} +8 C ux r1 {6,[S,D,T,B,Q]} {9,B} +9 C u0 r1 {8,B} +10 C ux r0 {7,D} +11 C ux {2,[S,D,T,B,Q]} {12,D} +12 C u0 r0 {11,D} +13 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2506, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +8 C ux r1 {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} +10 C ux {7,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +12 C ux {11,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2507, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} +2 *2 C u0 {1,D} {7,S} {11,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r1 {1,S} {8,B} +7 C u0 r0 {2,S} {10,D} +8 C u0 {6,B} {9,B} +9 C u0 {8,B} +10 C u0 {7,D} +11 C u0 {2,S} {12,D} +12 C u0 {11,D} +""", + kinetics = None, +) + +entry( + index = 2508, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {11,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r1 {1,S} {8,B} +7 C u0 r0 {2,S} {10,D} +8 C u0 r1 {6,B} {9,B} +9 C u0 r1 {8,B} +10 C u0 r0 {7,D} +11 C u0 r0 {2,S} {12,D} +12 C u0 r0 {11,D} +""", + kinetics = None, +) + +entry( + index = 2509, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {11,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r1 {1,S} {8,B} +7 C u0 r0 {2,S} {10,D} +8 C u0 r1 {6,B} {9,B} +9 C u0 r1 {8,B} +10 C u0 r0 {7,D} +11 C u0 r0 {2,S} {12,D} +12 C u0 r0 {11,D} +""", + kinetics = None, +) + +entry( + index = 2510, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +8 C ux {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {7,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} +12 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2511, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +8 C ux {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {7,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} +12 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2512, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-5R!H=4R!H_Sp-10R!H=7R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,D} +5 C ux r0 {4,D} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {10,D} +8 C ux r1 {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} +10 C ux {7,D} +11 C ux {2,[S,D,T,B,Q]} +12 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2513, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-5R!H=4R!H_N-Sp-10R!H=7R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,D} +5 C ux r0 {4,D} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {10,T} +8 C ux r1 {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} +10 C ux {7,T} +11 C ux {2,[S,D,T,B,Q]} +12 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2514, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} {12,S} +2 *2 C u0 {1,D} {7,S} {11,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r1 {1,S} {8,B} +7 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +8 C u0 {6,B} {9,B} +9 C u0 {8,B} +10 C u0 {7,[S,D,T,B,Q]} +11 C u0 {2,S} +12 C u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2515, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} {12,S} +2 *2 C u0 {1,D} {7,S} {11,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r1 {1,S} {8,B} +7 C u0 r0 {2,S} {10,D} +8 C u0 {6,B} {9,B} +9 C u0 {8,B} +10 C u0 {7,D} +11 C u0 {2,S} +12 C u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2516, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {12,S} +2 *2 C u0 r0 {1,D} {7,S} {11,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r1 {1,S} {8,B} +7 C u0 r0 {2,S} {10,D} +8 C u0 r1 {6,B} {9,B} +9 C u0 r1 {8,B} +10 C u0 r0 {7,D} +11 C u0 r0 {2,S} +12 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2517, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {12,S} +2 *2 C u0 r0 {1,D} {7,S} {11,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r1 {1,S} {8,B} +7 C u0 r0 {2,S} {10,D} +8 C u0 r1 {6,B} {9,B} +9 C u0 r1 {8,B} +10 C u0 r0 {7,D} +11 C u0 r0 {2,S} +12 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2518, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} {12,S} +2 *2 C u0 {1,D} {7,S} {11,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r1 {1,S} {8,B} +7 C u0 r0 {2,S} {10,T} +8 C u0 {6,B} {9,B} +9 C u0 {8,B} +10 C u0 {7,T} +11 C u0 {2,S} +12 C u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2519, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {12,S} +2 *2 C u0 r0 {1,D} {7,S} {11,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r1 {1,S} {8,B} +7 C u0 r0 {2,S} {10,T} +8 C u0 r1 {6,B} {9,B} +9 C u0 r1 {8,B} +10 C u0 r0 {7,T} +11 C u0 r0 {2,S} +12 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2520, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {12,S} +2 *2 C u0 r0 {1,D} {7,S} {11,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r1 {1,S} {8,B} +7 C u0 r0 {2,S} {10,T} +8 C u0 r1 {6,B} {9,B} +9 C u0 r1 {8,B} +10 C u0 r0 {7,T} +11 C u0 r0 {2,S} +12 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2521, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} +2 *2 C u0 {1,D} {7,S} {11,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 r1 {1,S} {8,B} +7 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +8 C u0 {6,B} {9,B} +9 C u0 {8,B} +10 C u0 {7,[S,D,T,B,Q]} +11 C u0 {2,S} +""", + kinetics = None, +) + +entry( + index = 2522, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-10R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {11,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r1 {1,S} {8,B} +7 C u0 r0 {2,S} {10,D} +8 C u0 r1 {6,B} {9,B} +9 C u0 r1 {8,B} +10 C u0 r0 {7,D} +11 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 2523, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-10R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {11,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r1 {1,S} {8,B} +7 C u0 r0 {2,S} {10,T} +8 C u0 r1 {6,B} {9,B} +9 C u0 r1 {8,B} +10 C u0 r0 {7,T} +11 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 2524, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +8 C ux {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {7,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2525, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {10,D} +8 C ux {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {7,D} +11 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2526, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {10,D} +8 C ux r1 {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} +10 C ux {7,D} +11 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2527, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {10,D} +8 C ux r1 {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} +10 C ux {7,D} +11 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2528, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {10,T} +8 C ux {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {7,T} +11 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2529, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {10,T} +8 C ux r1 {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} +10 C ux {7,T} +11 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2530, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {10,T} +8 C ux r1 {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} +10 C ux {7,T} +11 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2531, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +8 C ux {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {7,[S,D,T,B,Q]} +11 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2532, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +8 C ux {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {7,[S,D,T,B,Q]} +11 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2533, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Sp-10R!H=7R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,D} +5 C ux r0 {4,D} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {10,D} +8 C ux r1 {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} +10 C ux {7,D} +11 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2534, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_N-Sp-10R!H=7R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,D} +5 C ux r0 {4,D} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {10,T} +8 C ux r1 {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} +10 C ux {7,T} +11 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2535, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} {11,S} +2 *2 C u0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r1 {1,S} {8,B} +7 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +8 C u0 {6,B} {9,B} +9 C u0 {8,B} +10 C u0 {7,[S,D,T,B,Q]} +11 C u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2536, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} {11,S} +2 *2 C u0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r1 {1,S} {8,B} +7 C u0 r0 {2,S} {10,D} +8 C u0 {6,B} {9,B} +9 C u0 {8,B} +10 C u0 {7,D} +11 C u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2537, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {11,S} +2 *2 C u0 r0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r1 {1,S} {8,B} +7 C u0 r0 {2,S} {10,D} +8 C u0 r1 {6,B} {9,B} +9 C u0 r1 {8,B} +10 C u0 r0 {7,D} +11 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2538, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {11,S} +2 *2 C u0 r0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r1 {1,S} {8,B} +7 C u0 r0 {2,S} {10,D} +8 C u0 r1 {6,B} {9,B} +9 C u0 r1 {8,B} +10 C u0 r0 {7,D} +11 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2539, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} {11,S} +2 *2 C u0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r1 {1,S} {8,B} +7 C u0 r0 {2,S} {10,T} +8 C u0 {6,B} {9,B} +9 C u0 {8,B} +10 C u0 {7,T} +11 C u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2540, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {11,S} +2 *2 C u0 r0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r1 {1,S} {8,B} +7 C u0 r0 {2,S} {10,T} +8 C u0 r1 {6,B} {9,B} +9 C u0 r1 {8,B} +10 C u0 r0 {7,T} +11 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2541, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {11,S} +2 *2 C u0 r0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r1 {1,S} {8,B} +7 C u0 r0 {2,S} {10,T} +8 C u0 r1 {6,B} {9,B} +9 C u0 r1 {8,B} +10 C u0 r0 {7,T} +11 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2542, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} +2 *2 C u0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 r1 {1,S} {8,B} +7 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +8 C u0 {6,B} {9,B} +9 C u0 {8,B} +10 C u0 {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2543, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-5R!H=4R!H_Sp-10R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r1 {1,S} {8,B} +7 C u0 r0 {2,S} {10,D} +8 C u0 r1 {6,B} {9,B} +9 C u0 r1 {8,B} +10 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2544, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-5R!H=4R!H_N-Sp-10R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r1 {1,S} {8,B} +7 C u0 r0 {2,S} {10,T} +8 C u0 r1 {6,B} {9,B} +9 C u0 r1 {8,B} +10 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 2545, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +8 C ux {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2546, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {10,D} +8 C ux {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2547, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {10,D} +8 C ux r1 {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} +10 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2548, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {10,D} +8 C ux r1 {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} +10 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2549, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {10,T} +8 C ux {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {7,T} +""", + kinetics = None, +) + +entry( + index = 2550, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {10,T} +8 C ux r1 {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} +10 C ux {7,T} +""", + kinetics = None, +) + +entry( + index = 2551, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {10,T} +8 C ux r1 {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} +10 C ux {7,T} +""", + kinetics = None, +) + +entry( + index = 2552, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 R!H ux r1 {1,[S,D,T,B,Q]} +7 C ux {2,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2553, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-7R!H=2R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,D} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 R!H ux r1 {1,[S,D,T,B,Q]} +7 C ux {2,D} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2554, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-7R!H=2R!H_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 r0 {2,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {7,D} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 R!H ux r1 {1,[S,D,T,B,Q]} +7 C ux r0 {2,D} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2555, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-7R!H=2R!H_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,D} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux r1 {1,[S,D,T,B,Q]} +7 C u0 {2,D} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2556, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,D} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux r1 {1,[S,D,T,B,Q]} +7 C u0 {2,D} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2557, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,D} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux r1 {1,[S,D,T,B,Q]} +7 C u0 {2,D} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2558, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,B]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 R!H ux r1 {1,[S,D,T,B,Q]} +7 C ux {2,[S,B]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2559, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 R!H ux r1 {1,[S,D,T,B,Q]} +7 C u0 {2,S} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2560, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_Sp-5R!H=4R!H_Ext-2R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {7,S} {9,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 R!H ux r1 {1,[S,D,T,B,Q]} +7 C u0 r0 {2,S} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2561, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,B]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux r1 {1,[S,D,T,B,Q]} +7 C ux {2,[S,B]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2562, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,S} {9,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux r1 {1,[S,D,T,B,Q]} +7 C ux {2,S} +8 R!H ux {1,[S,D,T,B,Q]} +9 C u0 {2,S} +""", + kinetics = None, +) + +entry( + index = 2563, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux r1 {1,[S,D,T,B,Q]} +7 C ux r0 {2,S} +8 R!H ux {1,[S,D,T,B,Q]} +9 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 2564, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux r1 {1,[S,D,T,B,Q]} +7 C ux r0 {2,S} +8 R!H ux {1,[S,D,T,B,Q]} +9 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 2565, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_1R!H-inRing", + group = +""" +1 *1 C u0 r1 {2,[B,D]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,B]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux r1 {1,[S,D,T,B,Q]} +7 C ux {2,[S,B]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2566, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-1R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux r1 {1,[S,D,T,B,Q]} +7 C u0 {2,S} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2567, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-1R!H-inRing_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux r1 {1,[S,D,T,B,Q]} +7 C u0 r0 {2,S} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2568, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-1R!H-inRing_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux r1 {1,[S,D,T,B,Q]} +7 C u0 r0 {2,S} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2569, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux {2,[S,D,T,B,Q]} +8 C ux {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2570, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-7R!H=2R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,D} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux {2,D} +8 C ux {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2571, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-7R!H=2R!H_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,D} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r1 {1,S} {8,[S,D,T,B,Q]} +7 C ux r0 {2,D} +8 C ux r1 {6,[S,D,T,B,Q]} {9,B} +9 C u0 r1 {8,B} {10,B} +10 C ux r1 {9,B} +""", + kinetics = None, +) + +entry( + index = 2572, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-7R!H=2R!H_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,D} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r1 {1,[S,D,T,B,Q]} {8,B} +7 C u0 {2,D} +8 C u0 {6,B} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2573, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,D} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r1 {1,[S,D,T,B,Q]} {8,B} +7 C u0 {2,D} +8 C u0 r1 {6,B} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C u0 r1 {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2574, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,D} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r1 {1,[S,D,T,B,Q]} {8,B} +7 C u0 {2,D} +8 C u0 r1 {6,B} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C u0 r1 {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2575, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,B]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux {2,[S,B]} +8 C ux {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2576, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,B]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux {2,[S,B]} +8 C ux {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2577, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_Ext-2R!H-R_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {11,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 r1 {1,S} {8,B} +7 C u0 r0 {2,S} +8 C u0 r1 {6,B} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} {10,B} +10 C u0 r1 {9,B} +11 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 2578, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,B]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux {2,[S,B]} +8 C ux {6,[S,D,T,B,Q]} {9,B} +9 C u0 {8,B} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2579, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,B]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux {2,[S,B]} +8 C ux r1 {6,[S,D,T,B,Q]} {9,B} +9 C u0 r1 {8,B} {10,[S,D,T,B,Q]} +10 C ux r1 {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2580, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,B]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux {2,[S,B]} +8 C ux r1 {6,[S,D,T,B,Q]} {9,B} +9 C u0 r1 {8,B} {10,[S,D,T,B,Q]} +10 C ux r1 {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2581, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,B]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux {2,[S,B]} +8 C ux r1 {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2582, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,B]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux {2,[S,B]} +8 C ux {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2583, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_Int-10R!H-2R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,B]} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r1 {1,[S,D,T,B,Q]} {8,B} +7 C u0 {2,[S,B]} +8 C u0 r1 {6,B} {9,B} +9 C u0 r1 {8,B} {10,[S,D,T,B,Q]} +10 C u0 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2584, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_1R!H-inRing", + group = +""" +1 *1 C u0 r1 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,B]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux {2,[S,B]} +8 C ux r1 {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2585, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-1R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r1 {1,S} {8,B} +7 C u0 {2,S} +8 C u0 {6,B} {9,B} +9 C u0 {8,B} {10,B} +10 C u0 {9,B} +""", + kinetics = None, +) + +entry( + index = 2586, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-1R!H-inRing_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r1 {1,S} {8,B} +7 C u0 r0 {2,S} +8 C u0 r1 {6,B} {9,B} +9 C u0 r1 {8,B} {10,B} +10 C u0 r1 {9,B} +""", + kinetics = None, +) + +entry( + index = 2587, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-1R!H-inRing_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r1 {1,S} {8,B} +7 C u0 r0 {2,S} +8 C u0 r1 {6,B} {9,B} +9 C u0 r1 {8,B} {10,B} +10 C u0 r1 {9,B} +""", + kinetics = None, +) + +entry( + index = 2588, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-1R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 R!H ux r1 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2589, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 R!H ux r1 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2590, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux r1 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2591, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux r1 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2592, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux r1 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2593, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r1 {1,S} +""", + kinetics = None, +) + +entry( + index = 2594, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r1 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2595, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r1 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2596, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r1 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2597, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} +3 *3 R u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 R!H ux r0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2598, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2599, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2600, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2601, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 C ux r1 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2602, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 C ux r1 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2603, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +8 C ux r1 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2604, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +8 C ux r1 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {2,[S,D,T,B,Q]} +11 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2605, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,S} {7,S} +2 *2 C u0 {1,[B,D]} {8,S} {10,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 r0 {1,S} {11,[S,D,T,B,Q]} +7 C u0 r0 {1,S} {12,[S,D,T,B,Q]} +8 C ux r1 {2,S} {9,[S,D,T,B,Q]} +9 C u0 r1 {8,[S,D,T,B,Q]} +10 C u0 r0 {2,S} +11 C u0 r0 {6,[S,D,T,B,Q]} +12 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2606, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,[S,D,T,B,Q]} {11,D} +7 C ux {1,[S,D,T,B,Q]} +8 C ux r1 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} +10 C ux {2,[S,D,T,B,Q]} +11 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 2607, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,[S,D,T,B,Q]} {11,T} +7 C ux {1,[S,D,T,B,Q]} +8 C ux r1 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} +10 C ux {2,[S,D,T,B,Q]} +11 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 2608, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 C ux r1 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2609, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +8 C u0 r1 {2,[S,D,T,B,Q]} {9,B} +9 C ux {8,B} +10 C ux {2,[S,D,T,B,Q]} +11 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2610, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {11,D} +7 C ux {1,[S,D,T,B,Q]} {12,D} +8 C u0 r1 {2,[S,D,T,B,Q]} {9,B} +9 C ux {8,B} +10 C ux {2,[S,D,T,B,Q]} +11 C ux {6,D} +12 C u0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2611, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {11,D} +7 C ux {1,[S,D,T,B,Q]} {12,D} +8 C u0 r1 {2,[S,D,T,B,Q]} {9,B} +9 C ux r1 {8,B} +10 C ux {2,[S,D,T,B,Q]} +11 C ux {6,D} +12 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2612, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {11,D} +7 C ux {1,[S,D,T,B,Q]} {12,D} +8 C u0 r1 {2,[S,D,T,B,Q]} {9,B} +9 C ux r1 {8,B} +10 C ux {2,[S,D,T,B,Q]} +11 C ux {6,D} +12 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2613, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} {7,S} +2 *2 C u0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {11,D} +7 C u0 {1,S} +8 C u0 r1 {2,S} {9,B} +9 C u0 {8,B} +10 C u0 {2,S} +11 C u0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2614, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {7,S} +2 *2 C u0 r0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {11,D} +7 C u0 r0 {1,S} +8 C u0 r1 {2,S} {9,B} +9 C u0 r1 {8,B} +10 C u0 r0 {2,S} +11 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2615, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {7,S} +2 *2 C u0 r0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {11,D} +7 C u0 r0 {1,S} +8 C u0 r1 {2,S} {9,B} +9 C u0 r1 {8,B} +10 C u0 r0 {2,S} +11 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2616, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} {7,S} +2 *2 C u0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {11,T} +7 C u0 {1,S} +8 C u0 r1 {2,S} {9,B} +9 C u0 {8,B} +10 C u0 {2,S} +11 C u0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2617, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {7,S} +2 *2 C u0 r0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {11,T} +7 C u0 r0 {1,S} +8 C u0 r1 {2,S} {9,B} +9 C u0 r1 {8,B} +10 C u0 r0 {2,S} +11 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2618, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {7,S} +2 *2 C u0 r0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {11,T} +7 C u0 r0 {1,S} +8 C u0 r1 {2,S} {9,B} +9 C u0 r1 {8,B} +10 C u0 r0 {2,S} +11 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2619, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 C ux r1 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} +10 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2620, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 C ux r1 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} +10 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2621, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +8 C ux r1 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2622, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +8 C ux r1 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2623, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +8 C ux r1 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} +10 C u0 r0 {6,[S,D,T,B,Q]} +11 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2624, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,[S,D,T,B,Q]} {10,D} +7 C ux {1,[S,D,T,B,Q]} +8 C ux r1 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} +10 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 2625, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,[S,D,T,B,Q]} {10,T} +7 C ux {1,[S,D,T,B,Q]} +8 C ux r1 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} +10 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 2626, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 C ux r1 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2627, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,D} {6,S} {7,S} +2 *2 C u0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +7 C u0 {1,S} +8 C u0 r1 {2,S} {9,B} +9 C u0 {8,B} +10 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2628, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,D} {6,S} {7,S} +2 *2 C u0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {10,D} +7 C u0 {1,S} {11,D} +8 C u0 r1 {2,S} {9,B} +9 C u0 {8,B} +10 C ux {6,D} +11 C u0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2629, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {7,S} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {10,D} +7 C u0 r0 {1,S} {11,D} +8 C u0 r1 {2,S} {9,B} +9 C u0 r1 {8,B} +10 C ux {6,D} +11 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2630, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {7,S} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {10,D} +7 C u0 r0 {1,S} {11,D} +8 C u0 r1 {2,S} {9,B} +9 C u0 r1 {8,B} +10 C ux {6,D} +11 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2631, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} {7,S} +2 *2 C u0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {10,D} +7 C u0 {1,S} +8 C u0 r1 {2,S} {9,B} +9 C u0 {8,B} +10 C u0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2632, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {7,S} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {10,D} +7 C u0 r0 {1,S} +8 C u0 r1 {2,S} {9,B} +9 C u0 r1 {8,B} +10 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2633, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {7,S} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {10,D} +7 C u0 r0 {1,S} +8 C u0 r1 {2,S} {9,B} +9 C u0 r1 {8,B} +10 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2634, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} {7,S} +2 *2 C u0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {10,T} +7 C u0 {1,S} +8 C u0 r1 {2,S} {9,B} +9 C u0 {8,B} +10 C u0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2635, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {7,S} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {10,T} +7 C u0 r0 {1,S} +8 C u0 r1 {2,S} {9,B} +9 C u0 r1 {8,B} +10 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2636, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {7,S} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {10,T} +7 C u0 r0 {1,S} +8 C u0 r1 {2,S} {9,B} +9 C u0 r1 {8,B} +10 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2637, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 C ux r1 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2638, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 C ux r1 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2639, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2640, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2641, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2642, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2643, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2644, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +8 C u0 r0 {2,[S,D,T,B,Q]} {9,D} +9 C ux r0 {8,D} +10 C ux {2,[S,D,T,B,Q]} {11,D} +11 C u0 r0 {10,D} +12 C u0 r0 {6,[S,D,T,B,Q]} +13 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2645, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-12R!H=6R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,[S,D,T,B,Q]} {12,D} +7 C ux {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 2646, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-12R!H=6R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,[S,D,T,B,Q]} {12,T} +7 C ux {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 2647, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2648, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,S} {7,S} +2 *2 C u0 {1,[B,D]} {8,S} {10,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {12,[S,D,T,B,Q]} +7 C u0 {1,S} +8 C ux r0 {2,S} {9,[S,D,T,B,Q]} +9 C u0 {8,[S,D,T,B,Q]} +10 C u0 {2,S} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2649, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,S} {7,S} +2 *2 C u0 {1,[B,D]} {8,S} {10,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {12,D} +7 C u0 {1,S} {13,D} +8 C ux r0 {2,S} {9,[S,D,T,B,Q]} +9 C u0 {8,[S,D,T,B,Q]} +10 C u0 {2,S} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {6,D} +13 C u0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2650, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,S} {7,S} +2 *2 C u0 {1,[B,D]} {8,S} {10,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {12,D} +7 C u0 r0 {1,S} {13,D} +8 C ux r0 {2,S} {9,[S,D,T,B,Q]} +9 C u0 {8,[S,D,T,B,Q]} +10 C u0 r0 {2,S} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {6,D} +13 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2651, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,S} {7,S} +2 *2 C u0 {1,[B,D]} {8,S} {10,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {12,D} +7 C u0 r0 {1,S} {13,D} +8 C ux r0 {2,S} {9,[S,D,T,B,Q]} +9 C u0 {8,[S,D,T,B,Q]} +10 C u0 r0 {2,S} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {6,D} +13 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2652, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-12R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} {7,S} +2 *2 C u0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {12,D} +7 C u0 {1,S} +8 C u0 r0 {2,S} {9,D} +9 C u0 {8,D} +10 C u0 {2,S} {11,D} +11 C u0 {10,D} +12 C u0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2653, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-12R!H=6R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {7,S} +2 *2 C u0 r0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {12,D} +7 C u0 r0 {1,S} +8 C u0 r0 {2,S} {9,D} +9 C u0 r0 {8,D} +10 C u0 r0 {2,S} {11,D} +11 C u0 r0 {10,D} +12 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2654, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-12R!H=6R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {7,S} +2 *2 C u0 r0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {12,D} +7 C u0 r0 {1,S} +8 C u0 r0 {2,S} {9,D} +9 C u0 r0 {8,D} +10 C u0 r0 {2,S} {11,D} +11 C u0 r0 {10,D} +12 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2655, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-12R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} {7,S} +2 *2 C u0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {12,T} +7 C u0 {1,S} +8 C u0 r0 {2,S} {9,D} +9 C u0 {8,D} +10 C u0 {2,S} {11,D} +11 C u0 {10,D} +12 C u0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2656, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-12R!H=6R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {7,S} +2 *2 C u0 r0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {12,T} +7 C u0 r0 {1,S} +8 C u0 r0 {2,S} {9,D} +9 C u0 r0 {8,D} +10 C u0 r0 {2,S} {11,D} +11 C u0 r0 {10,D} +12 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2657, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-12R!H=6R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {7,S} +2 *2 C u0 r0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {12,T} +7 C u0 r0 {1,S} +8 C u0 r0 {2,S} {9,D} +9 C u0 r0 {8,D} +10 C u0 r0 {2,S} {11,D} +11 C u0 r0 {10,D} +12 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2658, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2659, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2660, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2661, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,D} {6,S} {7,S} +2 *2 C u0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 r0 {1,S} {11,[S,D,T,B,Q]} +7 C u0 {1,S} +8 C u0 r0 {2,S} {9,[S,D,T,B,Q]} +9 C u0 {8,[S,D,T,B,Q]} +10 C u0 {2,S} +11 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2662, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,D} {6,S} {7,S} +2 *2 C u0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 r0 {1,S} {11,D} +7 C u0 {1,S} {12,D} +8 C u0 r0 {2,S} {9,[S,D,T,B,Q]} +9 C u0 {8,[S,D,T,B,Q]} +10 C u0 {2,S} +11 C ux {6,D} +12 C u0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2663, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {7,S} +2 *2 C u0 r0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {1,S} {11,D} +7 C u0 r0 {1,S} {12,D} +8 C u0 r0 {2,S} {9,D} +9 C u0 r0 {8,D} +10 C u0 r0 {2,S} +11 C ux {6,D} +12 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2664, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {7,S} +2 *2 C u0 r0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {1,S} {11,D} +7 C u0 r0 {1,S} {12,D} +8 C u0 r0 {2,S} {9,T} +9 C u0 r0 {8,T} +10 C u0 r0 {2,S} +11 C ux {6,D} +12 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2665, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} {7,S} +2 *2 C u0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 r0 {1,S} {11,D} +7 C u0 {1,S} +8 C u0 r0 {2,S} {9,[S,D,T,B,Q]} +9 C u0 {8,[S,D,T,B,Q]} +10 C u0 {2,S} +11 C u0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2666, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {7,S} +2 *2 C u0 r0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {1,S} {11,D} +7 C u0 r0 {1,S} +8 C u0 r0 {2,S} {9,D} +9 C u0 r0 {8,D} +10 C u0 r0 {2,S} +11 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2667, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {7,S} +2 *2 C u0 r0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {1,S} {11,D} +7 C u0 r0 {1,S} +8 C u0 r0 {2,S} {9,T} +9 C u0 r0 {8,T} +10 C u0 r0 {2,S} +11 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2668, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} {7,S} +2 *2 C u0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 r0 {1,S} {11,T} +7 C u0 {1,S} +8 C u0 r0 {2,S} {9,[S,D,T,B,Q]} +9 C u0 {8,[S,D,T,B,Q]} +10 C u0 {2,S} +11 C u0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2669, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {7,S} +2 *2 C u0 r0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {1,S} {11,T} +7 C u0 r0 {1,S} +8 C u0 r0 {2,S} {9,D} +9 C u0 r0 {8,D} +10 C u0 r0 {2,S} +11 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2670, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {7,S} +2 *2 C u0 r0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {1,S} {11,T} +7 C u0 r0 {1,S} +8 C u0 r0 {2,S} {9,T} +9 C u0 r0 {8,T} +10 C u0 r0 {2,S} +11 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2671, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,D} +9 C ux {8,D} +10 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2672, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,T} +9 C ux {8,T} +10 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2673, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2674, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {2,[S,D,T,B,Q]} +11 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2675, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {2,[S,D,T,B,Q]} +11 C u0 {6,[S,D,T,B,Q]} +12 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2676, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,D} +9 C ux {8,D} +10 C ux {2,[S,D,T,B,Q]} +11 C u0 {6,[S,D,T,B,Q]} +12 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2677, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_Sp-9R!H=8R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,D} +9 C ux {8,D} +10 C ux {2,[S,D,T,B,Q]} +11 C u0 r0 {6,[S,D,T,B,Q]} +12 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2678, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_Sp-9R!H=8R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,D} +9 C ux {8,D} +10 C ux {2,[S,D,T,B,Q]} +11 C u0 r0 {6,[S,D,T,B,Q]} +12 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2679, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,T} +9 C ux {8,T} +10 C ux {2,[S,D,T,B,Q]} +11 C u0 {6,[S,D,T,B,Q]} +12 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2680, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-Sp-9R!H=8R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,T} +9 C ux {8,T} +10 C ux {2,[S,D,T,B,Q]} +11 C u0 r0 {6,[S,D,T,B,Q]} +12 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2681, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-Sp-9R!H=8R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,T} +9 C ux {8,T} +10 C ux {2,[S,D,T,B,Q]} +11 C u0 r0 {6,[S,D,T,B,Q]} +12 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2682, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {11,D} +7 C ux {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {2,[S,D,T,B,Q]} +11 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 2683, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {11,D} +7 C ux {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,D} +9 C ux {8,D} +10 C ux {2,[S,D,T,B,Q]} +11 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 2684, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_Sp-9R!H=8R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {11,D} +7 C ux {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,D} +9 C ux {8,D} +10 C ux {2,[S,D,T,B,Q]} +11 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 2685, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_Sp-9R!H=8R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {11,D} +7 C ux {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,D} +9 C ux {8,D} +10 C ux {2,[S,D,T,B,Q]} +11 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 2686, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {11,D} +7 C ux {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,T} +9 C ux {8,T} +10 C ux {2,[S,D,T,B,Q]} +11 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 2687, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_N-Sp-9R!H=8R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {11,D} +7 C ux {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,T} +9 C ux {8,T} +10 C ux {2,[S,D,T,B,Q]} +11 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 2688, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_N-Sp-9R!H=8R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {11,D} +7 C ux {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,T} +9 C ux {8,T} +10 C ux {2,[S,D,T,B,Q]} +11 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 2689, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {11,T} +7 C ux {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {2,[S,D,T,B,Q]} +11 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 2690, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {11,T} +7 C ux {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,D} +9 C ux {8,D} +10 C ux {2,[S,D,T,B,Q]} +11 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 2691, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_Sp-9R!H=8R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {11,T} +7 C ux {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,D} +9 C ux {8,D} +10 C ux {2,[S,D,T,B,Q]} +11 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 2692, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_Sp-9R!H=8R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {11,T} +7 C ux {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,D} +9 C ux {8,D} +10 C ux {2,[S,D,T,B,Q]} +11 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 2693, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {11,T} +7 C ux {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,T} +9 C ux {8,T} +10 C ux {2,[S,D,T,B,Q]} +11 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 2694, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_N-Sp-9R!H=8R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {11,T} +7 C ux {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,T} +9 C ux {8,T} +10 C ux {2,[S,D,T,B,Q]} +11 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 2695, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_N-Sp-9R!H=8R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {11,T} +7 C ux {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,T} +9 C ux {8,T} +10 C ux {2,[S,D,T,B,Q]} +11 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 2696, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 C u0 r0 {2,S} {9,D} +9 C u0 {8,D} +10 C u0 {2,S} +""", + kinetics = None, +) + +entry( + index = 2697, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 C u0 r0 {2,S} {9,D} +9 C u0 r0 {8,D} +10 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 2698, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 C u0 r0 {2,S} {9,D} +9 C u0 r0 {8,D} +10 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 2699, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 C u0 r0 {2,S} {9,T} +9 C u0 {8,T} +10 C u0 {2,S} +""", + kinetics = None, +) + +entry( + index = 2700, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 C u0 r0 {2,S} {9,T} +9 C u0 r0 {8,T} +10 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 2701, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 C u0 r0 {2,S} {9,T} +9 C u0 r0 {8,T} +10 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 2702, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2703, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,D} +9 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 2704, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,D} +9 C ux {8,D} +10 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2705, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {7,S} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +7 C u0 r0 {1,S} {11,[S,D,T,B,Q]} +8 C u0 r0 {2,S} {9,D} +9 C u0 r0 {8,D} +10 C u0 r0 {6,[S,D,T,B,Q]} +11 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2706, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,[S,D,T,B,Q]} {10,D} +7 C ux {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,D} +9 C ux {8,D} +10 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 2707, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,[S,D,T,B,Q]} {10,T} +7 C ux {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,D} +9 C ux {8,D} +10 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 2708, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,T} +9 C ux {8,T} +""", + kinetics = None, +) + +entry( + index = 2709, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,T} +9 C ux {8,T} +10 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2710, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {7,S} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +7 C u0 r0 {1,S} {11,[S,D,T,B,Q]} +8 C u0 r0 {2,S} {9,T} +9 C u0 r0 {8,T} +10 C u0 r0 {6,[S,D,T,B,Q]} +11 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2711, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,[S,D,T,B,Q]} {10,D} +7 C ux {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,T} +9 C ux {8,T} +10 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 2712, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,[S,D,T,B,Q]} {10,T} +7 C ux {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,T} +9 C ux {8,T} +10 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 2713, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2714, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,D} +9 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 2715, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,D} +9 C ux {8,D} +10 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2716, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {10,D} +7 C ux {1,[S,D,T,B,Q]} {11,D} +8 C ux r0 {2,[S,D,T,B,Q]} {9,D} +9 C ux {8,D} +10 C ux {6,D} +11 C u0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2717, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {10,D} +7 C ux {1,[S,D,T,B,Q]} {11,D} +8 C ux r0 {2,[S,D,T,B,Q]} {9,D} +9 C ux {8,D} +10 C ux {6,D} +11 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2718, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {10,D} +7 C ux {1,[S,D,T,B,Q]} {11,D} +8 C ux r0 {2,[S,D,T,B,Q]} {9,D} +9 C ux {8,D} +10 C ux {6,D} +11 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2719, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} {7,S} +2 *2 C u0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {10,D} +7 C u0 {1,S} +8 C u0 r0 {2,S} {9,D} +9 C u0 {8,D} +10 C u0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2720, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {7,S} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {10,D} +7 C u0 r0 {1,S} +8 C u0 r0 {2,S} {9,D} +9 C u0 r0 {8,D} +10 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2721, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {7,S} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {10,D} +7 C u0 r0 {1,S} +8 C u0 r0 {2,S} {9,D} +9 C u0 r0 {8,D} +10 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2722, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} {7,S} +2 *2 C u0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {10,T} +7 C u0 {1,S} +8 C u0 r0 {2,S} {9,D} +9 C u0 {8,D} +10 C u0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2723, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {7,S} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {10,T} +7 C u0 r0 {1,S} +8 C u0 r0 {2,S} {9,D} +9 C u0 r0 {8,D} +10 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2724, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {7,S} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {10,T} +7 C u0 r0 {1,S} +8 C u0 r0 {2,S} {9,D} +9 C u0 r0 {8,D} +10 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2725, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,D} +9 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 2726, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,D} +9 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 2727, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,T} +9 C ux {8,T} +""", + kinetics = None, +) + +entry( + index = 2728, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,T} +9 C ux {8,T} +10 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2729, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {10,D} +7 C ux {1,[S,D,T,B,Q]} {11,D} +8 C ux r0 {2,[S,D,T,B,Q]} {9,T} +9 C ux {8,T} +10 C ux {6,D} +11 C u0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2730, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {10,D} +7 C ux {1,[S,D,T,B,Q]} {11,D} +8 C ux r0 {2,[S,D,T,B,Q]} {9,T} +9 C ux {8,T} +10 C ux {6,D} +11 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2731, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {10,D} +7 C ux {1,[S,D,T,B,Q]} {11,D} +8 C ux r0 {2,[S,D,T,B,Q]} {9,T} +9 C ux {8,T} +10 C ux {6,D} +11 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2732, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} {7,S} +2 *2 C u0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {10,D} +7 C u0 {1,S} +8 C u0 r0 {2,S} {9,T} +9 C u0 {8,T} +10 C u0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2733, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {7,S} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {10,D} +7 C u0 r0 {1,S} +8 C u0 r0 {2,S} {9,T} +9 C u0 r0 {8,T} +10 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2734, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {7,S} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {10,D} +7 C u0 r0 {1,S} +8 C u0 r0 {2,S} {9,T} +9 C u0 r0 {8,T} +10 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2735, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} {7,S} +2 *2 C u0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {10,T} +7 C u0 {1,S} +8 C u0 r0 {2,S} {9,T} +9 C u0 {8,T} +10 C u0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2736, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {7,S} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {10,T} +7 C u0 r0 {1,S} +8 C u0 r0 {2,S} {9,T} +9 C u0 r0 {8,T} +10 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2737, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {7,S} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {10,T} +7 C u0 r0 {1,S} +8 C u0 r0 {2,S} {9,T} +9 C u0 r0 {8,T} +10 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2738, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,T} +9 C ux {8,T} +""", + kinetics = None, +) + +entry( + index = 2739, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,T} +9 C ux {8,T} +""", + kinetics = None, +) + +entry( + index = 2740, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2741, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2742, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +10 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2743, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {7,S} +2 *2 C u0 r0 {1,D} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +7 C u0 r0 {1,S} {11,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +10 C u0 r0 {6,[S,D,T,B,Q]} +11 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2744, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,[S,D,T,B,Q]} {10,D} +7 C ux {1,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +10 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 2745, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,[S,D,T,B,Q]} {10,T} +7 C ux {1,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +10 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 2746, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2747, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +10 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2748, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {10,D} +7 C ux {1,[S,D,T,B,Q]} {11,D} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +10 C ux {6,D} +11 C u0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2749, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {10,D} +7 C ux {1,[S,D,T,B,Q]} {11,D} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +10 C ux {6,D} +11 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2750, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {10,D} +7 C ux {1,[S,D,T,B,Q]} {11,D} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +10 C ux {6,D} +11 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2751, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} {7,S} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {10,D} +7 C u0 {1,S} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +10 C u0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2752, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {7,S} +2 *2 C u0 r0 {1,D} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {10,D} +7 C u0 r0 {1,S} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +10 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2753, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {7,S} +2 *2 C u0 r0 {1,D} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {10,D} +7 C u0 r0 {1,S} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +10 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2754, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} {7,S} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {10,T} +7 C u0 {1,S} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +10 C u0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2755, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {7,S} +2 *2 C u0 r0 {1,D} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {10,T} +7 C u0 r0 {1,S} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +10 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2756, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {7,S} +2 *2 C u0 r0 {1,D} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {10,T} +7 C u0 r0 {1,S} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +10 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2757, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2758, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2759, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2760, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-8R!H-2R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +8 C ux {2,S} +""", + kinetics = None, +) + +entry( + index = 2761, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +8 C ux {2,S} +9 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2762, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {7,S} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {1,S} {9,[S,D,T,B,Q]} +7 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +8 C u0 {2,S} +9 C u0 r0 {6,[S,D,T,B,Q]} +10 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2763, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,[S,D,T,B,Q]} {9,D} +7 C ux {1,[S,D,T,B,Q]} +8 C ux {2,S} +9 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 2764, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,[S,D,T,B,Q]} {9,T} +7 C ux {1,[S,D,T,B,Q]} +8 C ux {2,S} +9 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 2765, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H-2R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,D} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +8 C ux {2,D} +""", + kinetics = None, +) + +entry( + index = 2766, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,D} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +8 C ux {2,D} +9 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2767, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {7,S} +2 *2 C u0 r0 {1,D} {8,D} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {1,S} {9,[S,D,T,B,Q]} +7 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +8 C u0 {2,D} +9 C u0 r0 {6,[S,D,T,B,Q]} +10 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2768, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,D} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,[S,D,T,B,Q]} {9,D} +7 C ux {1,[S,D,T,B,Q]} +8 C ux {2,D} +9 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 2769, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,D} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,[S,D,T,B,Q]} {9,T} +7 C ux {1,[S,D,T,B,Q]} +8 C ux {2,D} +9 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 2770, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2771, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 C ux {2,S} +""", + kinetics = None, +) + +entry( + index = 2772, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +8 C ux {2,S} +9 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2773, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {9,D} +7 C ux {1,[S,D,T,B,Q]} {10,D} +8 C ux {2,S} +9 C ux {6,D} +10 C u0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2774, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {9,D} +7 C ux {1,[S,D,T,B,Q]} {10,D} +8 C ux r0 {2,S} +9 C ux {6,D} +10 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2775, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {9,D} +7 C ux {1,[S,D,T,B,Q]} {10,D} +8 C ux r0 {2,S} +9 C ux {6,D} +10 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2776, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} {7,S} +2 *2 C u0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {9,D} +7 C u0 {1,S} +8 C u0 {2,S} +9 C u0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2777, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {7,S} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {9,D} +7 C u0 r0 {1,S} +8 C u0 r0 {2,S} +9 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2778, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {7,S} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {9,D} +7 C u0 r0 {1,S} +8 C u0 r0 {2,S} +9 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2779, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} {7,S} +2 *2 C u0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {9,T} +7 C u0 {1,S} +8 C u0 {2,S} +9 C u0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2780, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {7,S} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {9,T} +7 C u0 r0 {1,S} +8 C u0 r0 {2,S} +9 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2781, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {7,S} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {9,T} +7 C u0 r0 {1,S} +8 C u0 r0 {2,S} +9 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2782, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 C ux {2,S} +""", + kinetics = None, +) + +entry( + index = 2783, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 C ux {2,S} +""", + kinetics = None, +) + +entry( + index = 2784, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,D} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 C ux {2,D} +""", + kinetics = None, +) + +entry( + index = 2785, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,D} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +8 C ux {2,D} +9 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2786, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,D} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {9,D} +7 C ux {1,[S,D,T,B,Q]} {10,D} +8 C ux {2,D} +9 C ux {6,D} +10 C u0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2787, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,D} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {9,D} +7 C ux {1,[S,D,T,B,Q]} {10,D} +8 C ux r0 {2,D} +9 C ux {6,D} +10 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2788, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,D} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {9,D} +7 C ux {1,[S,D,T,B,Q]} {10,D} +8 C ux r0 {2,D} +9 C ux {6,D} +10 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2789, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} {7,S} +2 *2 C u0 {1,D} {8,D} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {9,D} +7 C u0 {1,S} +8 C u0 {2,D} +9 C u0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2790, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {7,S} +2 *2 C u0 r0 {1,D} {8,D} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {9,D} +7 C u0 r0 {1,S} +8 C u0 r0 {2,D} +9 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2791, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {7,S} +2 *2 C u0 r0 {1,D} {8,D} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {9,D} +7 C u0 r0 {1,S} +8 C u0 r0 {2,D} +9 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2792, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} {7,S} +2 *2 C u0 {1,D} {8,D} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {9,T} +7 C u0 {1,S} +8 C u0 {2,D} +9 C u0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2793, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {7,S} +2 *2 C u0 r0 {1,D} {8,D} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {9,T} +7 C u0 r0 {1,S} +8 C u0 r0 {2,D} +9 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2794, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {7,S} +2 *2 C u0 r0 {1,D} {8,D} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {9,T} +7 C u0 r0 {1,S} +8 C u0 r0 {2,D} +9 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2795, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,D} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 C ux {2,D} +""", + kinetics = None, +) + +entry( + index = 2796, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,D} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 C ux {2,D} +""", + kinetics = None, +) + +entry( + index = 2797, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Sp-5R!H-4R!H", + group = +""" +1 *1 C u0 {2,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,S} +5 C u0 {4,S} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2798, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Sp-5R!H-4R!H_Ext-4R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,S} {8,[S,D,T,B,Q]} +5 C u0 r0 {4,S} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2799, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,D,T]} +5 C ux {4,[B,D,T]} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2800, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2801, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +8 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2802, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {7,S} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 r0 {1,S} {8,[S,D,T,B,Q]} +7 C u0 r0 {1,S} {9,[S,D,T,B,Q]} +8 C u0 r0 {6,[S,D,T,B,Q]} +9 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2803, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-8R!H=6R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,[S,D,T,B,Q]} {8,D} +7 C ux {1,[S,D,T,B,Q]} +8 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 2804, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,[S,D,T,B,Q]} {8,T} +7 C ux {1,[S,D,T,B,Q]} +8 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 2805, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2806, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +8 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2807, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {8,D} +7 C ux {1,[S,D,T,B,Q]} {9,D} +8 C ux {6,D} +9 C u0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2808, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {8,D} +7 C ux {1,[S,D,T,B,Q]} {9,D} +8 C ux {6,D} +9 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2809, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {8,D} +7 C ux {1,[S,D,T,B,Q]} {9,D} +8 C ux {6,D} +9 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2810, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-8R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} {7,S} +2 *2 C u0 {1,D} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {8,D} +7 C u0 {1,S} +8 C u0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2811, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-8R!H=6R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {7,S} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {8,D} +7 C u0 r0 {1,S} +8 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2812, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-8R!H=6R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {7,S} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {8,D} +7 C u0 r0 {1,S} +8 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2813, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} {7,S} +2 *2 C u0 {1,D} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {8,T} +7 C u0 {1,S} +8 C u0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2814, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {7,S} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {8,T} +7 C u0 r0 {1,S} +8 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2815, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {7,S} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {8,T} +7 C u0 r0 {1,S} +8 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2816, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2817, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2818, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux r0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2819, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2820, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux r0 {1,[S,D,T,B,Q]} +7 C ux {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2821, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux r0 {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2822, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux r0 {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2823, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2824, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} +2 *2 C u0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +7 C ux r1 {2,S} {8,[S,D,T,B,Q]} +8 C u0 {7,[S,D,T,B,Q]} +9 C u0 {2,S} +10 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2825, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-10R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {1,S} {10,D} +7 C ux r1 {2,S} {8,[S,D,T,B,Q]} +8 C u0 r1 {7,[S,D,T,B,Q]} +9 C u0 r0 {2,S} +10 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 2826, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-10R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {1,S} {10,T} +7 C ux r1 {2,S} {8,[S,D,T,B,Q]} +8 C u0 r1 {7,[S,D,T,B,Q]} +9 C u0 r0 {2,S} +10 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 2827, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +7 C u0 r1 {2,[S,D,T,B,Q]} {8,B} +8 C ux {7,B} +9 C ux {2,[S,D,T,B,Q]} +10 C u0 {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2828, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {10,D} +7 C u0 r1 {2,[S,D,T,B,Q]} {8,B} +8 C ux {7,B} +9 C ux {2,[S,D,T,B,Q]} +10 C u0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2829, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {10,D} +7 C u0 r1 {2,[S,D,T,B,Q]} {8,B} +8 C ux r1 {7,B} +9 C ux {2,[S,D,T,B,Q]} +10 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2830, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {10,D} +7 C u0 r1 {2,[S,D,T,B,Q]} {8,B} +8 C ux r1 {7,B} +9 C ux {2,[S,D,T,B,Q]} +10 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2831, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {10,T} +7 C u0 r1 {2,[S,D,T,B,Q]} {8,B} +8 C ux {7,B} +9 C ux {2,[S,D,T,B,Q]} +10 C u0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2832, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {10,T} +7 C u0 r1 {2,[S,D,T,B,Q]} {8,B} +8 C ux r1 {7,B} +9 C ux {2,[S,D,T,B,Q]} +10 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2833, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {10,T} +7 C u0 r1 {2,[S,D,T,B,Q]} {8,B} +8 C ux r1 {7,B} +9 C ux {2,[S,D,T,B,Q]} +10 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2834, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux r1 {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2835, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} +2 *2 C u0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} +7 C u0 r1 {2,S} {8,B} +8 C u0 {7,B} +9 C u0 {2,S} +""", + kinetics = None, +) + +entry( + index = 2836, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} +7 C u0 r1 {2,S} {8,B} +8 C u0 r1 {7,B} +9 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 2837, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} +7 C u0 r1 {2,S} {8,B} +8 C u0 r1 {7,B} +9 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 2838, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2839, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2840, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-9R!H=6R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,D} +5 C ux r0 {4,D} +6 C ux r0 {1,[S,D,T,B,Q]} {9,D} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux r1 {7,[S,D,T,B,Q]} +9 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 2841, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-9R!H=6R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,D} +5 C ux r0 {4,D} +6 C ux r0 {1,[S,D,T,B,Q]} {9,T} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux r1 {7,[S,D,T,B,Q]} +9 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 2842, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} +2 *2 C u0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {9,[S,D,T,B,Q]} +7 C u0 r1 {2,S} {8,B} +8 C u0 {7,B} +9 C u0 {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2843, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} +2 *2 C u0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {9,D} +7 C u0 r1 {2,S} {8,B} +8 C u0 {7,B} +9 C u0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2844, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {9,D} +7 C u0 r1 {2,S} {8,B} +8 C u0 r1 {7,B} +9 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2845, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {9,D} +7 C u0 r1 {2,S} {8,B} +8 C u0 r1 {7,B} +9 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2846, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} +2 *2 C u0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {9,T} +7 C u0 r1 {2,S} {8,B} +8 C u0 {7,B} +9 C u0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2847, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {9,T} +7 C u0 r1 {2,S} {8,B} +8 C u0 r1 {7,B} +9 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2848, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {9,T} +7 C u0 r1 {2,S} {8,B} +8 C u0 r1 {7,B} +9 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2849, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux r1 {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2850, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} +2 *2 C u0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} +7 C u0 r1 {2,S} {8,B} +8 C u0 {7,B} +""", + kinetics = None, +) + +entry( + index = 2851, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} +7 C u0 r1 {2,S} {8,B} +8 C u0 r1 {7,B} +""", + kinetics = None, +) + +entry( + index = 2852, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} +7 C u0 r1 {2,S} {8,B} +8 C u0 r1 {7,B} +""", + kinetics = None, +) + +entry( + index = 2853, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux r0 {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2854, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux r0 {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2855, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux r0 {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2856, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2857, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +7 C u0 r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 C ux {2,[S,D,T,B,Q]} {10,D} +10 C u0 {9,D} +11 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2858, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-11R!H=6R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,D} +5 C ux r0 {4,D} +6 C ux r0 {1,[S,D,T,B,Q]} {11,D} +7 C u0 r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux r0 {7,D} +9 C ux {2,[S,D,T,B,Q]} {10,D} +10 C u0 r0 {9,D} +11 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 2859, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-11R!H=6R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,D} +5 C ux r0 {4,D} +6 C ux r0 {1,[S,D,T,B,Q]} {11,T} +7 C u0 r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux r0 {7,D} +9 C ux {2,[S,D,T,B,Q]} {10,D} +10 C u0 r0 {9,D} +11 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 2860, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} +2 *2 C u0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {11,[S,D,T,B,Q]} +7 C ux r0 {2,S} {8,[S,D,T,B,Q]} +8 C u0 {7,[S,D,T,B,Q]} +9 C u0 {2,S} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C u0 {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2861, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-11R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} +2 *2 C u0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {11,D} +7 C ux r0 {2,S} {8,[S,D,T,B,Q]} +8 C u0 {7,[S,D,T,B,Q]} +9 C u0 {2,S} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C u0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2862, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-11R!H=6R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {11,D} +7 C ux r0 {2,S} {8,[S,D,T,B,Q]} +8 C u0 {7,[S,D,T,B,Q]} +9 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2863, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-11R!H=6R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {11,D} +7 C ux r0 {2,S} {8,[S,D,T,B,Q]} +8 C u0 {7,[S,D,T,B,Q]} +9 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2864, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-11R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} +2 *2 C u0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {11,T} +7 C ux r0 {2,S} {8,[S,D,T,B,Q]} +8 C u0 {7,[S,D,T,B,Q]} +9 C u0 {2,S} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C u0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2865, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-11R!H=6R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {11,T} +7 C ux r0 {2,S} {8,[S,D,T,B,Q]} +8 C u0 {7,[S,D,T,B,Q]} +9 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2866, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-11R!H=6R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {11,T} +7 C ux r0 {2,S} {8,[S,D,T,B,Q]} +8 C u0 {7,[S,D,T,B,Q]} +9 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2867, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2868, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} +2 *2 C u0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} +7 C u0 r0 {2,S} {8,D} +8 C u0 {7,D} +9 C u0 {2,S} {10,D} +10 C u0 {9,D} +""", + kinetics = None, +) + +entry( + index = 2869, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} +7 C u0 r0 {2,S} {8,D} +8 C u0 r0 {7,D} +9 C u0 r0 {2,S} {10,D} +10 C u0 r0 {9,D} +""", + kinetics = None, +) + +entry( + index = 2870, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} +7 C u0 r0 {2,S} {8,D} +8 C u0 r0 {7,D} +9 C u0 r0 {2,S} {10,D} +10 C u0 r0 {9,D} +""", + kinetics = None, +) + +entry( + index = 2871, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2872, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} +2 *2 C u0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +7 C u0 r0 {2,S} {8,[S,D,T,B,Q]} +8 C u0 {7,[S,D,T,B,Q]} +9 C u0 {2,S} +10 C u0 {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2873, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-10R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} +2 *2 C u0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 r0 {1,S} {10,D} +7 C u0 r0 {2,S} {8,[S,D,T,B,Q]} +8 C u0 {7,[S,D,T,B,Q]} +9 C u0 {2,S} +10 C u0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2874, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-10R!H=6R!H_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 r0 {1,S} {10,D} +7 C u0 r0 {2,S} {8,D} +8 C u0 r0 {7,D} +9 C u0 r0 {2,S} +10 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2875, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-10R!H=6R!H_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 r0 {1,S} {10,D} +7 C u0 r0 {2,S} {8,T} +8 C u0 r0 {7,T} +9 C u0 r0 {2,S} +10 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2876, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-10R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} +2 *2 C u0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 r0 {1,S} {10,T} +7 C u0 r0 {2,S} {8,[S,D,T,B,Q]} +8 C u0 {7,[S,D,T,B,Q]} +9 C u0 {2,S} +10 C u0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2877, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 r0 {1,S} {10,T} +7 C u0 r0 {2,S} {8,D} +8 C u0 r0 {7,D} +9 C u0 r0 {2,S} +10 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2878, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 r0 {1,S} {10,T} +7 C u0 r0 {2,S} {8,T} +8 C u0 r0 {7,T} +9 C u0 r0 {2,S} +10 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2879, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2880, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {10,D} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 2881, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {10,D} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 2882, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_Sp-8R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {10,D} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 2883, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_Sp-8R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {10,D} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 2884, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {10,D} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 2885, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_N-Sp-8R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {10,D} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 2886, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {10,D} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 2887, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {10,T} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 2888, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {10,T} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 2889, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_Sp-8R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {10,T} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 2890, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_Sp-8R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {10,T} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 2891, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {10,T} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 2892, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_N-Sp-8R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {10,T} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 2893, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {10,T} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 2894, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} +2 *2 C u0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 r0 {1,S} +7 C u0 r0 {2,S} {8,[S,D,T,B,Q]} +8 C u0 {7,[S,D,T,B,Q]} +9 C u0 {2,S} +""", + kinetics = None, +) + +entry( + index = 2895, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {1,S} +7 C u0 r0 {2,S} {8,D} +8 C u0 r0 {7,D} +9 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 2896, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {1,S} +7 C u0 r0 {2,S} {8,T} +8 C u0 r0 {7,T} +9 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 2897, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2898, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2899, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2900, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2901, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2902, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2903, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2904, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2905, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} +2 *2 C u0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 r0 {1,S} {9,[S,D,T,B,Q]} +7 C u0 r0 {2,S} {8,[S,D,T,B,Q]} +8 C u0 {7,[S,D,T,B,Q]} +9 C u0 {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2906, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-9R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} +2 *2 C u0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 r0 {1,S} {9,D} +7 C u0 r0 {2,S} {8,[S,D,T,B,Q]} +8 C u0 {7,[S,D,T,B,Q]} +9 C u0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2907, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-9R!H=6R!H_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 r0 {1,S} {9,D} +7 C u0 r0 {2,S} {8,D} +8 C u0 r0 {7,D} +9 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2908, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-9R!H=6R!H_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 r0 {1,S} {9,D} +7 C u0 r0 {2,S} {8,T} +8 C u0 r0 {7,T} +9 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2909, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-9R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} +2 *2 C u0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 r0 {1,S} {9,T} +7 C u0 r0 {2,S} {8,[S,D,T,B,Q]} +8 C u0 {7,[S,D,T,B,Q]} +9 C u0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2910, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 r0 {1,S} {9,T} +7 C u0 r0 {2,S} {8,D} +8 C u0 r0 {7,D} +9 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2911, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 r0 {1,S} {9,T} +7 C u0 r0 {2,S} {8,T} +8 C u0 r0 {7,T} +9 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2912, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2913, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {9,D} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 2914, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {9,D} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 2915, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_Sp-8R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {9,D} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 2916, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_Sp-8R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {9,D} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 2917, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {9,D} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 2918, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_N-Sp-8R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {9,D} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 2919, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {9,D} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 2920, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {9,T} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 2921, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {9,T} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 2922, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_Sp-8R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {9,T} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 2923, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_Sp-8R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {9,T} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 2924, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {9,T} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 2925, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_N-Sp-8R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {9,T} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 2926, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {9,T} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 2927, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} +2 *2 C u0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 r0 {1,S} +7 C u0 r0 {2,S} {8,[S,D,T,B,Q]} +8 C u0 {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2928, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-5R!H=4R!H_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {1,S} +7 C u0 r0 {2,S} {8,D} +8 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2929, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-5R!H=4R!H_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {1,S} +7 C u0 r0 {2,S} {8,T} +8 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 2930, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2931, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2932, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_Sp-8R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2933, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_Sp-8R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2934, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +""", + kinetics = None, +) + +entry( + index = 2935, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-8R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +""", + kinetics = None, +) + +entry( + index = 2936, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +""", + kinetics = None, +) + +entry( + index = 2937, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,S} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux r0 {1,S} +7 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2938, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,S} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux r0 {1,S} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2939, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,S} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux r0 {1,S} {9,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2940, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,S} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,S} {9,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2941, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-9R!H=6R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,S} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,D} +5 C ux r0 {4,D} +6 C ux r0 {1,S} {9,D} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 2942, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-9R!H=6R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,S} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,D} +5 C ux r0 {4,D} +6 C ux r0 {1,S} {9,T} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 2943, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {9,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 C u0 {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2944, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {9,D} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 C u0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2945, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {9,D} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2946, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {9,D} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2947, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {9,T} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 C u0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2948, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {9,T} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2949, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {9,T} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2950, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,S} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,S} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2951, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2952, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2953, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2954, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,S} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux r0 {1,S} {8,[S,D,T,B,Q]} +7 C ux {2,[S,D,T,B,Q]} +8 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2955, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 r0 {1,S} {8,[S,D,T,B,Q]} +7 C u0 {2,[S,D,T,B,Q]} +8 C u0 {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2956, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-8R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 r0 {1,S} {8,D} +7 C u0 {2,[S,D,T,B,Q]} +8 C u0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2957, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-8R!H=6R!H_Sp-7R!H-2R!H", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 r0 {1,S} {8,D} +7 C u0 r0 {2,S} +8 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2958, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-8R!H=6R!H_N-Sp-7R!H-2R!H", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,D} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 r0 {1,S} {8,D} +7 C u0 r0 {2,D} +8 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2959, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 r0 {1,S} {8,T} +7 C u0 {2,[S,D,T,B,Q]} +8 C u0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2960, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_Sp-7R!H-2R!H", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 r0 {1,S} {8,T} +7 C u0 r0 {2,S} +8 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2961, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_N-Sp-7R!H-2R!H", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,D} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 r0 {1,S} {8,T} +7 C u0 r0 {2,D} +8 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2962, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,S} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,S} {8,[S,D,T,B,Q]} +7 C ux {2,[S,D,T,B,Q]} +8 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2963, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=6R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,S} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,S} {8,D} +7 C ux {2,[S,D,T,B,Q]} +8 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 2964, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=6R!H_Sp-7R!H-2R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,S} +2 *2 C u0 {1,[B,D]} {7,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,S} {8,D} +7 C ux {2,S} +8 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 2965, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=6R!H_Sp-7R!H-2R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,S} +2 *2 C u0 {1,[B,D]} {7,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,S} {8,D} +7 C ux {2,S} +8 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 2966, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=6R!H_Sp-7R!H-2R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,S} +2 *2 C u0 {1,[B,D]} {7,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,S} {8,D} +7 C ux {2,S} +8 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 2967, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=6R!H_N-Sp-7R!H-2R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,S} +2 *2 C u0 {1,[B,D]} {7,D} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,S} {8,D} +7 C ux {2,D} +8 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 2968, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=6R!H_N-Sp-7R!H-2R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,S} +2 *2 C u0 {1,[B,D]} {7,D} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,S} {8,D} +7 C ux {2,D} +8 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 2969, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=6R!H_N-Sp-7R!H-2R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,S} +2 *2 C u0 {1,[B,D]} {7,D} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,S} {8,D} +7 C ux {2,D} +8 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 2970, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=6R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,S} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,S} {8,T} +7 C ux {2,[S,D,T,B,Q]} +8 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 2971, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_Sp-7R!H-2R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,S} +2 *2 C u0 {1,[B,D]} {7,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,S} {8,T} +7 C ux {2,S} +8 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 2972, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_Sp-7R!H-2R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,S} +2 *2 C u0 {1,[B,D]} {7,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,S} {8,T} +7 C ux {2,S} +8 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 2973, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_Sp-7R!H-2R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,S} +2 *2 C u0 {1,[B,D]} {7,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,S} {8,T} +7 C ux {2,S} +8 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 2974, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_N-Sp-7R!H-2R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,S} +2 *2 C u0 {1,[B,D]} {7,D} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,S} {8,T} +7 C ux {2,D} +8 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 2975, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_N-Sp-7R!H-2R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,S} +2 *2 C u0 {1,[B,D]} {7,D} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,S} {8,T} +7 C ux {2,D} +8 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 2976, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_N-Sp-7R!H-2R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,S} +2 *2 C u0 {1,[B,D]} {7,D} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,S} {8,T} +7 C ux {2,D} +8 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 2977, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 r0 {1,S} +7 C u0 {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2978, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Sp-5R!H=4R!H_Sp-7R!H-2R!H", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {1,S} +7 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 2979, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Sp-5R!H=4R!H_N-Sp-7R!H-2R!H", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,D} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {1,S} +7 C u0 r0 {2,D} +""", + kinetics = None, +) + +entry( + index = 2980, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,S} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,S} +7 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2981, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-2R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,S} +2 *2 C u0 {1,[B,D]} {7,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,S} +7 C ux {2,S} +""", + kinetics = None, +) + +entry( + index = 2982, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-2R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,S} +2 *2 C u0 {1,[B,D]} {7,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,S} +7 C ux {2,S} +""", + kinetics = None, +) + +entry( + index = 2983, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-2R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,S} +2 *2 C u0 {1,[B,D]} {7,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,S} +7 C ux {2,S} +""", + kinetics = None, +) + +entry( + index = 2984, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-2R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,S} +2 *2 C u0 {1,[B,D]} {7,D} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,S} +7 C ux {2,D} +""", + kinetics = None, +) + +entry( + index = 2985, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-2R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,S} +2 *2 C u0 {1,[B,D]} {7,D} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,S} +7 C ux {2,D} +""", + kinetics = None, +) + +entry( + index = 2986, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-2R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,S} +2 *2 C u0 {1,[B,D]} {7,D} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,S} +7 C ux {2,D} +""", + kinetics = None, +) + +entry( + index = 2987, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,D} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux r0 {1,D} +7 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2988, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,D} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux r0 {1,D} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2989, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_Ext-2R!H-R_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,D} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,D} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2990, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,D} {6,D} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,D} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2991, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,D} +2 *2 C u0 r0 {1,D} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,D} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2992, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,D} +2 *2 C u0 r0 {1,D} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,D} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2993, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,D} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,D} +7 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2994, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,D} {6,D} +2 *2 C u0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,D} +7 C u0 {2,S} +""", + kinetics = None, +) + +entry( + index = 2995, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,D} +2 *2 C u0 r0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,D} +7 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 2996, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,D} +2 *2 C u0 r0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,D} +7 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 2997, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Sp-5R!H-4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 C ux {4,S} +6 C ux r0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2998, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Sp-5R!H-4R!H_Ext-4R!H-R_Ext-4R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +5 C ux {4,S} +6 C ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +8 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2999, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Sp-5R!H-4R!H_Sp-6R!H-1R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,S} +2 *2 C u0 {1,[B,D]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 C ux {4,S} +6 C ux r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3000, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Sp-5R!H-4R!H_N-Sp-6R!H-1R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,D} +2 *2 C u0 {1,[B,D]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 C ux {4,S} +6 C ux r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 3001, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,D,T]} +5 C ux {4,[B,D,T]} +6 C ux r0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3002, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3003, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Sp-6R!H-1R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,S} +2 *2 C u0 {1,[B,D]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3004, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,S} +2 *2 C u0 {1,[B,D]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,S} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3005, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-7R!H-6R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,S} +2 *2 C u0 {1,[B,D]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,D} +5 C ux r0 {4,D} +6 C ux r0 {1,S} {7,S} +7 C u0 r0 {6,S} +""", + kinetics = None, +) + +entry( + index = 3006, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-7R!H-6R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} +2 *2 C u0 {1,D} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 r0 {1,S} {7,[B,D,T,Q]} +7 C ux {6,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 3007, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-7R!H-6R!H_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 r0 {1,S} {7,D} +7 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 3008, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 r0 {1,S} {7,T} +7 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 3009, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_N-Sp-6R!H-1R!H", + group = +""" +1 *1 C u0 r0 {2,D} {6,D} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 3010, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3011, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,S} +2 *2 C u0 {1,[B,D]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3012, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,D} {6,S} +2 *2 C u0 {1,D} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3013, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} +2 *2 C u0 {1,D} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {7,D} +7 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 3014, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-7R!H=6R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {7,D} +7 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 3015, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-7R!H=6R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {7,D} +7 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 3016, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} +2 *2 C u0 {1,D} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {7,[S,T,Q,B]} +7 C ux {6,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3017, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-7R!H=6R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {7,[S,T,Q,B]} +7 C ux {6,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3018, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {7,[S,T,Q,B]} +7 C ux {6,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3019, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,S} +2 *2 C u0 {1,[B,D]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3020, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,S} +2 *2 C u0 {1,[B,D]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3021, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_N-Sp-6R!H-1R!H", + group = +""" +1 *1 C u0 {2,D} {6,D} +2 *2 C u0 {1,D} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 3022, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_N-Sp-6R!H-1R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,D} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 3023, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_N-Sp-6R!H-1R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,D} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 3024, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_N-3R->C", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} +3 *3 S u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 R!H ux r0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3025, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} +2 *2 R!H u0 {1,[B,D]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 C ux {4,S} +""", + kinetics = None, +) + +entry( + index = 3026, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} +2 *2 C u0 {1,[B,D]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 C ux {4,S} +6 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3027, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_6R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 C ux {4,S} +6 C u0 r1 {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3028, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} +2 *2 C u0 {1,[B,D]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 C ux {4,S} +6 C ux r0 {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3029, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {6,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 C ux {4,S} {7,S} +6 C u0 r0 {2,S} +7 C u0 {5,S} +""", + kinetics = None, +) + +entry( + index = 3030, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-5R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {6,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 C ux {4,S} {7,S} +6 C u0 r0 {2,S} +7 C u0 {5,S} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3031, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-5R!H-R_Ext-7R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {6,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 C ux {4,S} {7,S} +6 C u0 r0 {2,S} +7 C u0 {5,S} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} {9,S} +9 C u0 {8,S} +""", + kinetics = None, +) + +entry( + index = 3032, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-5R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {6,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 C ux {4,S} {7,S} +6 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +7 C u0 {5,S} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} {9,S} +9 C u0 {8,S} +10 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3033, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-5R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-6R!H-R_Ext-10R!H-R", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {6,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 C ux {4,S} {7,S} +6 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +7 C u0 {5,S} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} {9,S} +9 C u0 {8,S} +10 C ux {6,[S,D,T,B,Q]} {11,S} +11 C u0 {10,S} +""", + kinetics = None, +) + +entry( + index = 3034, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-5R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-6R!H-R_Ext-10R!H-R_Ext-9R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {6,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 C ux {4,S} {7,S} +6 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +7 C u0 r0 {5,S} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} {9,S} +9 C u0 r0 {8,S} {12,[S,D,T,B,Q]} +10 C ux {6,[S,D,T,B,Q]} {11,S} +11 C u0 r0 {10,S} +12 R!H ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3035, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-4R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} +2 *2 C u0 {1,[B,D]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} {7,[S,D,T,B,Q]} +5 C ux {4,S} +6 C ux r0 {2,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3036, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} +2 *2 C u0 {1,[B,D]} {6,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 C ux {4,S} +6 C ux r0 {2,S} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3037, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_2R!H->O", + group = +""" +1 *1 C u0 {2,[B,D]} +2 *2 O u0 {1,[B,D]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 C ux {4,S} +""", + kinetics = None, +) + +entry( + index = 3038, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_N-2R!H->O", + group = +""" +1 *1 C u0 {2,[B,D]} +2 *2 C u0 {1,[B,D]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 C ux {4,S} +""", + kinetics = None, +) + +entry( + index = 3039, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_N-2R!H->O_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} +2 *2 C u0 {1,[B,D]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 C ux {4,S} {6,S} +6 C u0 {5,S} +""", + kinetics = None, +) + +entry( + index = 3040, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_N-2R!H->O_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} +2 *2 C u0 {1,[B,D]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 C ux {4,S} {6,S} +6 C u0 {5,S} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3041, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_N-2R!H->O_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} +2 *2 C u0 {1,[B,D]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 C ux {4,S} {6,S} +6 C u0 {5,S} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} {8,S} +8 C u0 {7,S} +""", + kinetics = None, +) + +entry( + index = 3042, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_N-2R!H->O_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} +2 *2 C u0 {1,[B,D]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 C ux {4,S} {6,S} +6 C u0 {5,S} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} {8,S} +8 C u0 {7,S} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3043, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_N-2R!H->O_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-9R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} +2 *2 C u0 {1,[B,D]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 C ux {4,S} {6,S} +6 C u0 {5,S} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} {8,S} +8 C u0 {7,S} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} {10,S} +10 C u0 {9,S} +""", + kinetics = None, +) + +entry( + index = 3044, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_N-2R!H->O_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-10R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} +2 *2 C u0 {1,[B,D]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 C ux {4,S} {6,S} +6 C u0 r0 {5,S} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} {8,S} +8 C u0 r0 {7,S} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} {10,S} +10 C u0 r0 {9,S} {11,[S,D,T,B,Q]} +11 R!H ux {10,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3045, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} +2 *2 R!H u0 {1,[B,D]} +3 *3 R u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,D,T]} +5 C ux {4,[B,D,T]} +""", + kinetics = None, +) + +entry( + index = 3046, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} +2 *2 C u0 {1,[B,D]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,D,T]} +5 C ux {4,[B,D,T]} +6 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3047, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} +2 *2 C u0 {1,[B,D]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,D,T]} +5 C ux {4,[B,D,T]} +6 C ux {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3048, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} +2 *2 C u0 {1,[B,D]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,D,T]} +5 C ux {4,[B,D,T]} +6 C ux r1 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3049, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} +2 *2 C u0 {1,[B,D]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,D,T]} +5 C ux {4,[B,D,T]} +6 C ux r1 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3050, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} +2 *2 C u0 {1,[B,D]} {6,S} {8,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C ux r1 {2,S} {7,[S,D,T,B,Q]} +7 C u0 r1 {6,[S,D,T,B,Q]} +8 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 3051, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C u0 r1 {2,[S,D,T,B,Q]} {7,B} +7 C ux {6,B} +8 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3052, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C u0 r1 {2,[S,D,T,B,Q]} {7,B} +7 C ux r1 {6,B} +8 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3053, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C u0 r1 {2,[S,D,T,B,Q]} {7,B} +7 C ux r1 {6,B} +8 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3054, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} +2 *2 C u0 {1,[B,D]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r1 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux r1 {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3055, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {6,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r1 {2,S} {7,B} +7 C u0 {6,B} +""", + kinetics = None, +) + +entry( + index = 3056, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {6,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r1 {2,S} {7,B} +7 C u0 r1 {6,B} +""", + kinetics = None, +) + +entry( + index = 3057, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {6,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r1 {2,S} {7,B} +7 C u0 r1 {6,B} +""", + kinetics = None, +) + +entry( + index = 3058, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} +2 *2 C u0 {1,[B,D]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,D,T]} +5 C ux {4,[B,D,T]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3059, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_Sp-7R!H-6R!H", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,D,T]} +5 C ux {4,[B,D,T]} +6 C u0 r0 {2,[S,D,T,B,Q]} {7,S} +7 C ux r0 {6,S} +""", + kinetics = None, +) + +entry( + index = 3060, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H", + group = +""" +1 *1 C u0 {2,[B,D]} +2 *2 C u0 {1,[B,D]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,D,T]} +5 C ux {4,[B,D,T]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[B,D,T]} +7 C ux {6,[B,D,T]} +""", + kinetics = None, +) + +entry( + index = 3061, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} +2 *2 C u0 {1,[B,D]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,D,T]} +5 C ux {4,[B,D,T]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[B,D,T]} +7 C ux {6,[B,D,T]} +8 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3062, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} +2 *2 C u0 {1,[B,D]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,D,T]} +5 C ux {4,[B,D,T]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[B,D,T]} +7 C ux {6,[B,D,T]} +8 C ux {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3063, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} +2 *2 C u0 {1,[B,D]} {6,S} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C ux r0 {2,S} {7,D} +7 C u0 {6,D} +8 C ux {2,[S,D,T,B,Q]} {9,D} +9 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 3064, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C u0 r0 {2,[S,D,T,B,Q]} {7,[B,D,T]} +7 C ux {6,[B,D,T]} +8 C u0 {2,S} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3065, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {6,[S,D,T,B,Q]} {8,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C u0 r0 {2,[S,D,T,B,Q]} {7,[B,D,T]} +7 C ux r0 {6,[B,D,T]} +8 C u0 r0 {2,S} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3066, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {6,[S,D,T,B,Q]} {8,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C u0 r0 {2,[S,D,T,B,Q]} {7,[B,D,T]} +7 C ux r0 {6,[B,D,T]} +8 C u0 r0 {2,S} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3067, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {6,S} {8,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 r0 {2,S} {7,[B,D,T]} +7 C u0 {6,[B,D,T]} +8 C u0 {2,S} +""", + kinetics = None, +) + +entry( + index = 3068, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {6,S} {8,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {2,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 3069, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {6,S} {8,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {2,S} {7,T} +7 C u0 r0 {6,T} +8 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 3070, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} +2 *2 C u0 {1,[B,D]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[B,D,T]} +7 C ux {6,[B,D,T]} +8 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3071, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,[B,D]} +2 *2 C u0 {1,[B,D]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3072, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-7R!H=6R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} +2 *2 C u0 {1,[B,D]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3073, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-7R!H=6R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} +2 *2 C u0 {1,[B,D]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3074, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,[B,D]} +2 *2 C u0 {1,[B,D]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +8 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3075, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-7R!H=6R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} +2 *2 C u0 {1,[B,D]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +8 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3076, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-7R!H=6R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} +2 *2 C u0 {1,[B,D]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +8 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3077, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {6,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 r0 {2,S} {7,[B,D,T]} +7 C u0 {6,[B,D,T]} +""", + kinetics = None, +) + +entry( + index = 3078, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Sp-5R!H=4R!H_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {6,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {2,S} {7,D} +7 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 3079, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Sp-5R!H=4R!H_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {6,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {2,S} {7,T} +7 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 3080, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} +2 *2 C u0 {1,[B,D]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[B,D,T]} +7 C ux {6,[B,D,T]} +""", + kinetics = None, +) + +entry( + index = 3081, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_N-Sp-5R!H=4R!H_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,[B,D]} +2 *2 C u0 {1,[B,D]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 3082, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_N-Sp-5R!H=4R!H_Sp-7R!H=6R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} +2 *2 C u0 {1,[B,D]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 3083, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_N-Sp-5R!H=4R!H_Sp-7R!H=6R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} +2 *2 C u0 {1,[B,D]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 3084, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,[B,D]} +2 *2 C u0 {1,[B,D]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 3085, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H=6R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} +2 *2 C u0 {1,[B,D]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 3086, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H=6R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} +2 *2 C u0 {1,[B,D]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 3087, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3088, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3089, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-6R!H-2R!H", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {6,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 3090, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-6R!H-2R!H", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {6,D} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {2,D} +""", + kinetics = None, +) + +entry( + index = 3091, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} +2 *2 C u0 {1,[B,D]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3092, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} +2 *2 C u0 {1,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3093, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} +2 *2 C u0 {1,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3094, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} +2 *2 C u0 {1,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3095, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-6R!H-2R!H", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {6,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {2,S} +""", + kinetics = None, +) + +entry( + index = 3096, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-6R!H-2R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {6,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 3097, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-6R!H-2R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {6,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 3098, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-6R!H-2R!H", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {6,D} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {2,D} +""", + kinetics = None, +) + +entry( + index = 3099, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-6R!H-2R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {6,D} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {2,D} +""", + kinetics = None, +) + +entry( + index = 3100, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-6R!H-2R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {6,D} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 C u0 r0 {2,D} +""", + kinetics = None, +) + +entry( + index = 3101, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_2R!H->O", + group = +""" +1 *1 C u0 {2,[B,D]} +2 *2 O u0 {1,[B,D]} +3 *3 R u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,D,T]} +5 C ux {4,[B,D,T]} +""", + kinetics = None, +) + +entry( + index = 3102, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_N-2R!H->O", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,D,T]} +5 C u0 {4,[B,D,T]} +""", + kinetics = None, +) + +entry( + index = 3103, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_N-2R!H->O_Sp-5R!H#4R!H", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,T} +5 C u0 {4,T} +""", + kinetics = None, +) + +entry( + index = 3104, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_N-2R!H->O_N-Sp-5R!H#4R!H", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,D]} +5 C u0 {4,[B,D]} +""", + kinetics = None, +) + +entry( + index = 3105, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_N-2R!H->O_N-Sp-5R!H#4R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +""", + kinetics = None, +) + +entry( + index = 3106, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_N-2R!H->O_N-Sp-5R!H#4R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +""", + kinetics = None, +) + +entry( + index = 3107, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_N-Sp-4R!H-3R", + group = +""" +1 *1 C u0 {2,[B,D]} +2 *2 C u0 {1,[B,D]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3108, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_N-Sp-4R!H-3R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} +2 *2 C u0 {1,[B,D]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux r0 {3,D} {5,[S,D,T,B,Q]} +5 C ux r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3109, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_N-Sp-4R!H-3R_1R!H-inRing", + group = +""" +1 *1 C u0 r1 {2,[B,D]} +2 *2 C u0 {1,[B,D]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {5,D} +5 C ux {4,D} +""", + kinetics = None, +) + +entry( + index = 3110, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_N-Sp-4R!H-3R_N-1R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 {1,D} +3 *3 C u1 r0 {4,D} +4 C u0 {3,D} {5,[S,D,T,B,Q]} +5 C u0 {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3111, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_N-Sp-4R!H-3R_N-1R!H-inRing_Ext-1R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {6,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,D} +4 C u0 r0 {3,D} {5,[S,D,T,B,Q]} +5 C u0 r0 {4,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3112, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R", + group = +""" +1 *1 R!H u0 {2,[D,T,B]} +2 *2 R!H u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 R!H ux {3,D} +""", + kinetics = None, +) + +entry( + index = 3113, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H", + group = +""" +1 *1 R!H u0 {2,D} +2 *2 R!H u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,D} +4 R!H ux {3,D} +""", + kinetics = None, +) + +entry( + index = 3114, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->O", + group = +""" +1 *1 C u0 {2,D} +2 *2 O u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,D} +4 R!H ux r0 {3,D} +""", + kinetics = None, +) + +entry( + index = 3115, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O", + group = +""" +1 *1 R!H u0 {2,D} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +""", + kinetics = None, +) + +entry( + index = 3116, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3117, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 R!H ux r1 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3118, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_1R!H-inRing", + group = +""" +1 *1 C u0 r1 {2,D} {5,S} +2 *2 C u0 {1,D} +3 *3 C u1 r0 {4,D} +4 C u0 {3,D} +5 C ux r1 {1,S} +""", + kinetics = None, +) + +entry( + index = 3119, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_1R!H-inRing_Ext-5R!H-R_Sp-6R!H-5R!H", + group = +""" +1 *1 C u0 r1 {2,D} {5,S} +2 *2 C u0 r1 {1,D} +3 *3 C u1 r0 {4,D} +4 C u0 {3,D} +5 C ux r1 {1,S} {6,S} +6 C u0 r1 {5,S} +""", + kinetics = None, +) + +entry( + index = 3120, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_1R!H-inRing_Ext-5R!H-R_N-Sp-6R!H-5R!H", + group = +""" +1 *1 C u0 r1 {2,D} {5,S} +2 *2 C u0 r1 {1,D} +3 *3 C u1 r0 {4,D} +4 C u0 {3,D} +5 C ux r1 {1,S} {6,[B,D,T,Q]} +6 C u0 r1 {5,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 3121, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 R!H ux r1 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3122, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3123, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3124, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C ux r1 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3125, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C ux r1 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3126, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-1R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,D} +4 C u0 {3,D} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C u0 r1 {2,[S,D,T,B,Q]} {7,B} +7 C ux {6,B} +8 C ux {2,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3127, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-3R-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,D} {10,[S,D,T,B,Q]} +4 C u0 {3,D} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C u0 r1 {2,[S,D,T,B,Q]} {7,B} +7 C ux r1 {6,B} +8 C ux {2,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3128, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {9,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r1 {1,[S,D,T,B,Q]} +6 C ux r1 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux r1 {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3129, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-1R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,S} +3 *3 C u1 r0 {4,D} +4 C u0 {3,D} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C u0 r1 {2,S} {7,B} +7 C u0 {6,B} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3130, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-1R!H-R_Ext-3R-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {6,S} +3 *3 C u1 r0 {4,D} {9,[S,D,T,B,Q]} +4 C u0 r0 {3,D} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C u0 r1 {2,S} {7,B} +7 C u0 r1 {6,B} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3131, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {8,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r1 {1,[S,D,T,B,Q]} +6 C ux r1 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux r1 {6,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3132, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3133, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3134, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3135, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-1R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,S} {8,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C ux r0 {2,S} {7,[S,D,T,B,Q]} +7 C u0 {6,[S,D,T,B,Q]} +8 C u0 {2,S} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3136, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-1R!H-R_Ext-3R-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {6,S} {8,S} +3 *3 C u[1,2,3,4] r0 {4,D} {11,[S,D,T,B,Q]} +4 C ux r0 {3,D} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C ux r0 {2,S} {7,[S,D,T,B,Q]} +7 C u0 {6,[S,D,T,B,Q]} +8 C u0 r0 {2,S} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +11 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3137, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {10,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r1 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3138, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-1R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3139, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-3R-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {10,S} +4 C ux {3,D} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 C u0 {3,S} +""", + kinetics = None, +) + +entry( + index = 3140, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-3R-R_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {10,S} +4 C ux {3,D} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 C ux {2,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 C u0 r0 {3,S} +""", + kinetics = None, +) + +entry( + index = 3141, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-3R-R_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {10,S} +4 C ux {3,D} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +8 C ux {2,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 C u0 r0 {3,S} +""", + kinetics = None, +) + +entry( + index = 3142, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-1R!H-R_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 C ux {2,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3143, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-1R!H-R_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +8 C ux {2,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3144, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,S} {8,S} +3 *3 C u1 r0 {4,D} {9,S} +4 C u0 {3,D} +5 C u0 r1 {1,S} +6 C u0 r0 {2,S} {7,[S,D,T,B,Q]} +7 C u0 {6,[S,D,T,B,Q]} +8 C u0 {2,S} +9 C u0 {3,S} +""", + kinetics = None, +) + +entry( + index = 3145, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} {8,S} +3 *3 C u1 r0 {4,D} {9,S} +4 C u0 r0 {3,D} +5 C u0 r1 {1,S} +6 C u0 r0 {2,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {2,S} +9 C u0 r0 {3,S} +""", + kinetics = None, +) + +entry( + index = 3146, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} {8,S} +3 *3 C u1 r0 {4,D} {9,S} +4 C u0 r0 {3,D} +5 C u0 r1 {1,S} +6 C u0 r0 {2,S} {7,T} +7 C u0 r0 {6,T} +8 C u0 r0 {2,S} +9 C u0 r0 {3,S} +""", + kinetics = None, +) + +entry( + index = 3147, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r1 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3148, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r1 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +8 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3149, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3150, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-3R-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {9,S} +4 C ux {3,D} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C u0 {3,S} +""", + kinetics = None, +) + +entry( + index = 3151, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-3R-R_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {9,S} +4 C ux {3,D} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 R!H ux {1,[S,D,T,B,Q]} +9 C u0 r0 {3,S} +""", + kinetics = None, +) + +entry( + index = 3152, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-3R-R_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {9,S} +4 C ux {3,D} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +8 R!H ux {1,[S,D,T,B,Q]} +9 C u0 r0 {3,S} +""", + kinetics = None, +) + +entry( + index = 3153, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1R!H-R_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3154, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3155, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,S} +3 *3 C u1 r0 {4,D} {8,S} +4 C u0 {3,D} +5 C u0 r1 {1,S} +6 C u0 r0 {2,S} {7,[S,D,T,B,Q]} +7 C u0 {6,[S,D,T,B,Q]} +8 C u0 {3,S} +""", + kinetics = None, +) + +entry( + index = 3156, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} +3 *3 C u1 r0 {4,D} {8,S} +4 C u0 r0 {3,D} +5 C u0 r1 {1,S} +6 C u0 r0 {2,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {3,S} +""", + kinetics = None, +) + +entry( + index = 3157, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} +3 *3 C u1 r0 {4,D} {8,S} +4 C u0 r0 {3,D} +5 C u0 r1 {1,S} +6 C u0 r0 {2,S} {7,T} +7 C u0 r0 {6,T} +8 C u0 r0 {3,S} +""", + kinetics = None, +) + +entry( + index = 3158, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r1 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 3159, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r1 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 3160, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3161, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-2C-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3162, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-2C-R_Ext-3R-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {9,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3163, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-3R-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,D} {8,S} +4 C u0 {3,D} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C u0 {2,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 C u0 {3,S} +""", + kinetics = None, +) + +entry( + index = 3164, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-3R-R_Sp-6R!H-2C", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {6,S} +3 *3 C u1 r0 {4,D} {8,S} +4 C u0 r0 {3,D} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C u0 r0 {2,S} +7 R!H ux {1,[S,D,T,B,Q]} +8 C u0 r0 {3,S} +""", + kinetics = None, +) + +entry( + index = 3165, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-3R-R_N-Sp-6R!H-2C", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {6,D} +3 *3 C u1 r0 {4,D} {8,S} +4 C u0 r0 {3,D} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C u0 r0 {2,D} +7 R!H ux {1,[S,D,T,B,Q]} +8 C u0 r0 {3,S} +""", + kinetics = None, +) + +entry( + index = 3166, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R_Sp-6R!H-2C", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C ux {2,S} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3167, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R_N-Sp-6R!H-2C", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,D} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C ux {2,D} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3168, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-2C-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,D} +4 C u0 {3,D} +5 C u0 r1 {1,S} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3169, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-2C-R_Ext-3R-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,D} {8,[S,D,T,B,Q]} +4 C u0 r0 {3,D} +5 C u0 r1 {1,S} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3170, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-3R-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,D} {7,S} +4 C u0 {3,D} +5 C u0 r1 {1,S} +6 C u0 {2,[S,D,T,B,Q]} +7 C u0 {3,S} +""", + kinetics = None, +) + +entry( + index = 3171, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-3R-R_Sp-6R!H-2C", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} +3 *3 C u1 r0 {4,D} {7,S} +4 C u0 r0 {3,D} +5 C u0 r1 {1,S} +6 C u0 {2,S} +7 C u0 r0 {3,S} +""", + kinetics = None, +) + +entry( + index = 3172, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-3R-R_N-Sp-6R!H-2C", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,D} +3 *3 C u1 r0 {4,D} {7,S} +4 C u0 r0 {3,D} +5 C u0 r1 {1,S} +6 C u0 {2,D} +7 C u0 r0 {3,S} +""", + kinetics = None, +) + +entry( + index = 3173, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Sp-6R!H-2C", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r1 {1,[S,D,T,B,Q]} +6 C ux r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 3174, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_N-Sp-6R!H-2C", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,D} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r1 {1,[S,D,T,B,Q]} +6 C ux r0 {2,D} +""", + kinetics = None, +) + +entry( + index = 3175, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-1R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} +3 *3 C u1 r0 {4,D} +4 C u0 {3,D} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3176, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-1R!H-R_Ext-3R-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,D} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,D} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3177, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-3R-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,D} {6,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r1 {1,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3178, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 R!H ux r0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3179, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 R!H ux r0 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3180, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 R!H ux r0 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3181, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 R!H ux r0 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 C ux {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3182, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3183, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3184, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-3R-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {10,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3185, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {10,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3186, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,S} {6,S} +2 *2 C u0 {1,D} {7,S} {9,S} +3 *3 C u[1,2,3,4] r0 {4,D} {10,[S,D,T,B,Q]} +4 C ux r0 {3,D} +5 C u0 r0 {1,S} {11,[S,D,T,B,Q]} +6 C u0 r0 {1,S} {12,[S,D,T,B,Q]} +7 C ux r1 {2,S} {8,[S,D,T,B,Q]} +8 C u0 r1 {7,[S,D,T,B,Q]} +9 C u0 r0 {2,S} +10 C ux {3,[S,D,T,B,Q]} +11 C u0 r0 {5,[S,D,T,B,Q]} +12 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3187, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {10,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {11,D} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux r1 {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3188, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {10,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {11,T} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux r1 {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 3189, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3190, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,D} +4 C u0 r0 {3,D} +5 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +6 C u0 r0 {1,S} {11,[S,D,T,B,Q]} +7 C u0 r1 {2,S} {8,B} +8 C u0 r1 {7,B} +9 C u0 r0 {2,S} +10 C u0 r0 {5,[S,D,T,B,Q]} +11 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3191, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-10R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {10,D} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux r1 {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3192, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-10R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {10,T} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux r1 {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 3193, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {9,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3194, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {9,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3195, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {9,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux r1 {7,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 C u0 r0 {5,[S,D,T,B,Q]} +11 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3196, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {9,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {10,D} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux r1 {7,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3197, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {9,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {10,T} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux r1 {7,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 3198, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3199, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} {6,S} +2 *2 C u0 r0 {1,D} {7,S} +3 *3 C u1 r0 {4,D} +4 C u0 r0 {3,D} +5 C u0 r0 {1,S} {9,[S,D,T,B,Q]} +6 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +7 C u0 r1 {2,S} {8,B} +8 C u0 r1 {7,B} +9 C u0 r0 {5,[S,D,T,B,Q]} +10 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3200, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {9,D} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux r1 {7,[S,D,T,B,Q]} +9 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3201, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_N-Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {9,T} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux r1 {7,[S,D,T,B,Q]} +9 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 3202, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 R!H ux r0 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3203, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 R!H ux r0 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3204, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3205, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-3R-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {11,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3206, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-3R-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {11,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {3,[S,D,T,B,Q]} +12 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3207, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,D} {11,[S,D,T,B,Q]} +4 C u0 {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +7 C u0 r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux r0 {7,D} +9 C ux {2,[S,D,T,B,Q]} {10,D} +10 C u0 r0 {9,D} +11 C ux {3,[S,D,T,B,Q]} +12 C u0 r0 {5,[S,D,T,B,Q]} +13 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3208, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-3R-R_Ext-5R!H-R_Sp-12R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {11,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {12,D} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {3,[S,D,T,B,Q]} +12 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3209, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-3R-R_Ext-5R!H-R_N-Sp-12R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {11,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {12,T} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {3,[S,D,T,B,Q]} +12 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 3210, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3211, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,D} +4 C u0 r0 {3,D} +5 C u0 r0 {1,S} {11,[S,D,T,B,Q]} +6 C u0 r0 {1,S} {12,[S,D,T,B,Q]} +7 C u0 r0 {2,S} {8,D} +8 C u0 r0 {7,D} +9 C u0 r0 {2,S} {10,D} +10 C u0 r0 {9,D} +11 C u0 r0 {5,[S,D,T,B,Q]} +12 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3212, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-5R!H-R_Sp-11R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {11,D} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3213, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-5R!H-R_N-Sp-11R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {11,T} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 3214, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {10,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux r0 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3215, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,S} {6,S} +2 *2 C u0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,D} {10,S} +4 C u0 {3,D} +5 C u0 r0 {1,S} {11,[S,D,T,B,Q]} +6 C u0 {1,S} +7 C u0 r0 {2,S} {8,[S,D,T,B,Q]} +8 C u0 {7,[S,D,T,B,Q]} +9 C u0 {2,S} +10 C u0 {3,S} +11 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3216, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,S} {6,S} +2 *2 C u0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,D} {10,S} +4 C u0 {3,D} +5 C u0 r0 {1,S} {11,D} +6 C u0 {1,S} {12,D} +7 C u0 r0 {2,S} {8,[S,D,T,B,Q]} +8 C u0 {7,[S,D,T,B,Q]} +9 C u0 {2,S} +10 C u0 {3,S} +11 C ux {5,D} +12 C u0 {6,D} +""", + kinetics = None, +) + +entry( + index = 3217, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,D} {10,S} +4 C u0 r0 {3,D} +5 C u0 r0 {1,S} {11,D} +6 C u0 r0 {1,S} {12,D} +7 C u0 r0 {2,S} {8,D} +8 C u0 r0 {7,D} +9 C u0 r0 {2,S} +10 C u0 r0 {3,S} +11 C ux {5,D} +12 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 3218, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,D} {10,S} +4 C u0 r0 {3,D} +5 C u0 r0 {1,S} {11,D} +6 C u0 r0 {1,S} {12,D} +7 C u0 r0 {2,S} {8,T} +8 C u0 r0 {7,T} +9 C u0 r0 {2,S} +10 C u0 r0 {3,S} +11 C ux {5,D} +12 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 3219, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,S} {6,S} +2 *2 C u0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,D} {10,S} +4 C u0 {3,D} +5 C u0 r0 {1,S} {11,D} +6 C u0 {1,S} +7 C u0 r0 {2,S} {8,[S,D,T,B,Q]} +8 C u0 {7,[S,D,T,B,Q]} +9 C u0 {2,S} +10 C u0 {3,S} +11 C u0 {5,D} +""", + kinetics = None, +) + +entry( + index = 3220, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,D} {10,S} +4 C u0 r0 {3,D} +5 C u0 r0 {1,S} {11,D} +6 C u0 r0 {1,S} +7 C u0 r0 {2,S} {8,D} +8 C u0 r0 {7,D} +9 C u0 r0 {2,S} +10 C u0 r0 {3,S} +11 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 3221, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,D} {10,S} +4 C u0 r0 {3,D} +5 C u0 r0 {1,S} {11,D} +6 C u0 r0 {1,S} +7 C u0 r0 {2,S} {8,T} +8 C u0 r0 {7,T} +9 C u0 r0 {2,S} +10 C u0 r0 {3,S} +11 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 3222, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,S} {6,S} +2 *2 C u0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,D} {10,S} +4 C u0 {3,D} +5 C u0 r0 {1,S} {11,T} +6 C u0 {1,S} +7 C u0 r0 {2,S} {8,[S,D,T,B,Q]} +8 C u0 {7,[S,D,T,B,Q]} +9 C u0 {2,S} +10 C u0 {3,S} +11 C u0 {5,T} +""", + kinetics = None, +) + +entry( + index = 3223, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,D} {10,S} +4 C u0 r0 {3,D} +5 C u0 r0 {1,S} {11,T} +6 C u0 r0 {1,S} +7 C u0 r0 {2,S} {8,D} +8 C u0 r0 {7,D} +9 C u0 r0 {2,S} +10 C u0 r0 {3,S} +11 C u0 r0 {5,T} +""", + kinetics = None, +) + +entry( + index = 3224, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,D} {10,S} +4 C u0 r0 {3,D} +5 C u0 r0 {1,S} {11,T} +6 C u0 r0 {1,S} +7 C u0 r0 {2,S} {8,T} +8 C u0 r0 {7,T} +9 C u0 r0 {2,S} +10 C u0 r0 {3,S} +11 C u0 r0 {5,T} +""", + kinetics = None, +) + +entry( + index = 3225, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {10,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux r0 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3226, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {10,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux r0 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3227, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3228, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {10,D} +6 C ux {1,[S,D,T,B,Q]} {11,D} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {5,D} +11 C u0 {6,D} +""", + kinetics = None, +) + +entry( + index = 3229, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Ext-6R!H-R_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {10,D} +6 C ux {1,[S,D,T,B,Q]} {11,D} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {5,D} +11 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 3230, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Ext-6R!H-R_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {10,D} +6 C ux {1,[S,D,T,B,Q]} {11,D} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {5,D} +11 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 3231, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-10R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,S} {6,S} +2 *2 C u0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,D} +4 C u0 {3,D} +5 C u0 r0 {1,S} {10,D} +6 C u0 {1,S} +7 C u0 r0 {2,S} {8,[S,D,T,B,Q]} +8 C u0 {7,[S,D,T,B,Q]} +9 C u0 {2,S} +10 C u0 {5,D} +""", + kinetics = None, +) + +entry( + index = 3232, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-10R!H=5R!H_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,D} +4 C u0 r0 {3,D} +5 C u0 r0 {1,S} {10,D} +6 C u0 r0 {1,S} +7 C u0 r0 {2,S} {8,D} +8 C u0 r0 {7,D} +9 C u0 r0 {2,S} +10 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 3233, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-10R!H=5R!H_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,D} +4 C u0 r0 {3,D} +5 C u0 r0 {1,S} {10,D} +6 C u0 r0 {1,S} +7 C u0 r0 {2,S} {8,T} +8 C u0 r0 {7,T} +9 C u0 r0 {2,S} +10 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 3234, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-10R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,S} {6,S} +2 *2 C u0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,D} +4 C u0 {3,D} +5 C u0 r0 {1,S} {10,T} +6 C u0 {1,S} +7 C u0 r0 {2,S} {8,[S,D,T,B,Q]} +8 C u0 {7,[S,D,T,B,Q]} +9 C u0 {2,S} +10 C u0 {5,T} +""", + kinetics = None, +) + +entry( + index = 3235, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,D} +4 C u0 r0 {3,D} +5 C u0 r0 {1,S} {10,T} +6 C u0 r0 {1,S} +7 C u0 r0 {2,S} {8,D} +8 C u0 r0 {7,D} +9 C u0 r0 {2,S} +10 C u0 r0 {5,T} +""", + kinetics = None, +) + +entry( + index = 3236, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,D} +4 C u0 r0 {3,D} +5 C u0 r0 {1,S} {10,T} +6 C u0 r0 {1,S} +7 C u0 r0 {2,S} {8,T} +8 C u0 r0 {7,T} +9 C u0 r0 {2,S} +10 C u0 r0 {5,T} +""", + kinetics = None, +) + +entry( + index = 3237, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 R!H ux r0 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3238, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 R!H ux r0 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3239, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {9,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3240, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {9,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3241, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {9,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 C ux {3,[S,D,T,B,Q]} +10 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3242, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} {6,S} +2 *2 C u0 r0 {1,D} {7,S} +3 *3 C u1 r0 {4,D} {9,S} +4 C u0 r0 {3,D} +5 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +6 C u0 r0 {1,S} {11,[S,D,T,B,Q]} +7 C u0 r0 {2,S} {8,D} +8 C u0 r0 {7,D} +9 C u0 r0 {3,S} +10 C u0 r0 {5,[S,D,T,B,Q]} +11 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3243, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R_Sp-10R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {9,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {10,D} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 C ux {3,[S,D,T,B,Q]} +10 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3244, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-10R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {9,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {10,T} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 C ux {3,[S,D,T,B,Q]} +10 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 3245, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {9,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3246, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {9,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 C ux {3,[S,D,T,B,Q]} +10 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3247, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} {6,S} +2 *2 C u0 r0 {1,D} {7,S} +3 *3 C u1 r0 {4,D} {9,S} +4 C u0 r0 {3,D} +5 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +6 C u0 r0 {1,S} {11,[S,D,T,B,Q]} +7 C u0 r0 {2,S} {8,T} +8 C u0 r0 {7,T} +9 C u0 r0 {3,S} +10 C u0 r0 {5,[S,D,T,B,Q]} +11 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3248, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_Sp-10R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {9,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {10,D} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 C ux {3,[S,D,T,B,Q]} +10 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3249, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-10R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {9,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {10,T} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 C ux {3,[S,D,T,B,Q]} +10 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 3250, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 3251, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3252, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 C u0 r0 {5,[S,D,T,B,Q]} +10 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3253, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {9,D} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3254, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {9,T} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 3255, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +""", + kinetics = None, +) + +entry( + index = 3256, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3257, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 C u0 r0 {5,[S,D,T,B,Q]} +10 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3258, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {9,D} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3259, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {9,T} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 3260, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3261, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-3R-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {9,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3262, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-3R-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {9,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3263, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} {6,S} +2 *2 C u0 r0 {1,D} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,D} {9,[S,D,T,B,Q]} +4 C u0 r0 {3,D} +5 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +6 C u0 r0 {1,S} {11,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 C u0 r0 {5,[S,D,T,B,Q]} +11 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3264, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {9,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {10,D} +6 C ux {1,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3265, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {9,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {10,T} +6 C ux {1,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 3266, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3267, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} {6,S} +2 *2 C u0 r0 {1,D} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,D} +4 C u0 r0 {3,D} +5 C u0 r0 {1,S} {9,[S,D,T,B,Q]} +6 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 C u0 r0 {5,[S,D,T,B,Q]} +10 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3268, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {9,D} +6 C ux {1,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3269, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {9,T} +6 C ux {1,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 3270, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {8,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,[S,D,T,B,Q]} +8 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3271, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_Sp-7R!H-2C", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,S} +3 *3 C u[1,2,3,4] r0 {4,D} {8,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,S} +8 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3272, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_Sp-7R!H-2C_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,S} +3 *3 C u[1,2,3,4] r0 {4,D} {8,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,S} +8 C ux {3,[S,D,T,B,Q]} +9 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3273, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_Sp-7R!H-2C_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} {6,S} +2 *2 C u0 r0 {1,D} {7,S} +3 *3 C u1 r0 {4,D} {8,S} +4 C u0 r0 {3,D} +5 C u0 r0 {1,S} {9,[S,D,T,B,Q]} +6 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +7 C u0 {2,S} +8 C u0 r0 {3,S} +9 C u0 r0 {5,[S,D,T,B,Q]} +10 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3274, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_Sp-7R!H-2C_Ext-5R!H-R_Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,S} +3 *3 C u[1,2,3,4] r0 {4,D} {8,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {9,D} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,S} +8 C ux {3,[S,D,T,B,Q]} +9 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3275, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_Sp-7R!H-2C_Ext-5R!H-R_N-Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,S} +3 *3 C u[1,2,3,4] r0 {4,D} {8,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {9,T} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,S} +8 C ux {3,[S,D,T,B,Q]} +9 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 3276, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_N-Sp-7R!H-2C", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,D} +3 *3 C u[1,2,3,4] r0 {4,D} {8,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,D} +8 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3277, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_N-Sp-7R!H-2C_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,D} +3 *3 C u[1,2,3,4] r0 {4,D} {8,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,D} +8 C ux {3,[S,D,T,B,Q]} +9 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3278, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_N-Sp-7R!H-2C_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} {6,S} +2 *2 C u0 r0 {1,D} {7,D} +3 *3 C u1 r0 {4,D} {8,S} +4 C u0 r0 {3,D} +5 C u0 r0 {1,S} {9,[S,D,T,B,Q]} +6 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +7 C u0 {2,D} +8 C u0 r0 {3,S} +9 C u0 r0 {5,[S,D,T,B,Q]} +10 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3279, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_N-Sp-7R!H-2C_Ext-5R!H-R_Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,D} +3 *3 C u[1,2,3,4] r0 {4,D} {8,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {9,D} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,D} +8 C ux {3,[S,D,T,B,Q]} +9 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3280, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_N-Sp-7R!H-2C_Ext-5R!H-R_N-Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,D} +3 *3 C u[1,2,3,4] r0 {4,D} {8,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {9,T} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,D} +8 C ux {3,[S,D,T,B,Q]} +9 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 3281, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Sp-7R!H-2C", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,S} +""", + kinetics = None, +) + +entry( + index = 3282, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Sp-7R!H-2C_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,S} +8 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3283, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Sp-7R!H-2C_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +7 C ux r0 {2,S} +8 C u0 r0 {5,[S,D,T,B,Q]} +9 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3284, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Sp-7R!H-2C_Ext-5R!H-R_Sp-8R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {8,D} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,S} +8 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3285, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Sp-7R!H-2C_Ext-5R!H-R_N-Sp-8R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {8,T} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,S} +8 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 3286, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_N-Sp-7R!H-2C", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,D} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,D} +""", + kinetics = None, +) + +entry( + index = 3287, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_N-Sp-7R!H-2C_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,D} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,D} +8 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3288, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_N-Sp-7R!H-2C_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,D} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +7 C ux r0 {2,D} +8 C u0 r0 {5,[S,D,T,B,Q]} +9 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3289, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_N-Sp-7R!H-2C_Ext-5R!H-R_Sp-8R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,D} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {8,D} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,D} +8 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3290, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_N-Sp-7R!H-2C_Ext-5R!H-R_N-Sp-8R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,D} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {8,T} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,D} +8 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 3291, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-3R-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,D} {7,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3292, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,D} {7,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {3,[S,D,T,B,Q]} +8 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3293, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,D} {7,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +7 C ux {3,[S,D,T,B,Q]} +8 C u0 r0 {5,[S,D,T,B,Q]} +9 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3294, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-5R!H-R_Sp-8R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,D} {7,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {8,D} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {3,[S,D,T,B,Q]} +8 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3295, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-5R!H-R_N-Sp-8R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,D} {7,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {8,T} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {3,[S,D,T,B,Q]} +8 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 3296, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3297, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} {6,S} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,D} +4 C u0 r0 {3,D} +5 C u0 r0 {1,S} {7,[S,D,T,B,Q]} +6 C u0 r0 {1,S} {8,[S,D,T,B,Q]} +7 C u0 r0 {5,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3298, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R_Sp-7R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {7,D} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3299, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R_N-Sp-7R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {7,T} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 3300, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3301, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3302, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux r1 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3303, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,S} {8,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,S} +6 C ux r1 {2,S} {7,[S,D,T,B,Q]} +7 C u0 {6,[S,D,T,B,Q]} +8 C u0 {2,S} +""", + kinetics = None, +) + +entry( + index = 3304, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,S} {8,S} +3 *3 C u[1,2,3,4] r0 {4,D} {9,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,S} +6 C ux r1 {2,S} {7,[S,D,T,B,Q]} +7 C u0 {6,[S,D,T,B,Q]} +8 C u0 {2,S} +9 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3305, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,S} {8,S} +3 *3 C u[1,2,3,4] r0 {4,D} {9,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,S} {10,[S,D,T,B,Q]} +6 C ux r1 {2,S} {7,[S,D,T,B,Q]} +7 C u0 {6,[S,D,T,B,Q]} +8 C u0 {2,S} +9 C ux {3,[S,D,T,B,Q]} +10 C u0 {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3306, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,S} {8,S} +3 *3 C u[1,2,3,4] r0 {4,D} {9,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,S} {10,D} +6 C ux r1 {2,S} {7,[S,D,T,B,Q]} +7 C u0 r1 {6,[S,D,T,B,Q]} +8 C u0 r0 {2,S} +9 C ux {3,[S,D,T,B,Q]} +10 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 3307, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,S} {8,S} +3 *3 C u[1,2,3,4] r0 {4,D} {9,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,S} {10,[S,T,Q,B]} +6 C ux r1 {2,S} {7,[S,D,T,B,Q]} +7 C u0 r1 {6,[S,D,T,B,Q]} +8 C u0 r0 {2,S} +9 C ux {3,[S,D,T,B,Q]} +10 C u0 r0 {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3308, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,S} {8,S} +3 *3 C u1 r0 {4,D} +4 C u0 {3,D} +5 C u0 r0 {1,S} {9,[S,D,T,B,Q]} +6 C u0 r1 {2,S} {7,B} +7 C u0 {6,B} +8 C u0 {2,S} +9 C u0 {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3309, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} {8,S} +3 *3 C u1 r0 {4,D} +4 C u0 r0 {3,D} +5 C u0 r0 {1,S} {9,D} +6 C u0 r1 {2,S} {7,B} +7 C u0 r1 {6,B} +8 C u0 r0 {2,S} +9 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 3310, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} {8,S} +3 *3 C u1 r0 {4,D} +4 C u0 r0 {3,D} +5 C u0 r0 {1,S} {9,[S,T,Q,B]} +6 C u0 r1 {2,S} {7,B} +7 C u0 r1 {6,B} +8 C u0 r0 {2,S} +9 C u0 r0 {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3311, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {8,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux r1 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3312, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {8,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 C ux r1 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {3,[S,D,T,B,Q]} +9 C u0 {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3313, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {8,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {9,D} +6 C ux r1 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux r1 {6,[S,D,T,B,Q]} +8 C ux {3,[S,D,T,B,Q]} +9 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 3314, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {8,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {9,[S,T,Q,B]} +6 C ux r1 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux r1 {6,[S,D,T,B,Q]} +8 C ux {3,[S,D,T,B,Q]} +9 C u0 r0 {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3315, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,S} +3 *3 C u1 r0 {4,D} +4 C u0 {3,D} +5 C u0 r0 {1,S} {8,[S,D,T,B,Q]} +6 C u0 r1 {2,S} {7,B} +7 C u0 {6,B} +8 C u0 {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3316, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} +3 *3 C u1 r0 {4,D} +4 C u0 r0 {3,D} +5 C u0 r0 {1,S} {8,D} +6 C u0 r1 {2,S} {7,B} +7 C u0 r1 {6,B} +8 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 3317, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} +3 *3 C u1 r0 {4,D} +4 C u0 r0 {3,D} +5 C u0 r0 {1,S} {8,[S,T,Q,B]} +6 C u0 r1 {2,S} {7,B} +7 C u0 r1 {6,B} +8 C u0 r0 {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3318, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3319, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3320, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,D} +4 C u0 {3,D} +5 C u0 r0 {1,[S,D,T,B,Q]} +6 C u0 r0 {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 C ux {2,[S,D,T,B,Q]} {9,D} +9 C u0 {8,D} +""", + kinetics = None, +) + +entry( + index = 3321, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,D} {10,[S,D,T,B,Q]} +4 C u0 {3,D} +5 C u0 r0 {1,[S,D,T,B,Q]} +6 C u0 r0 {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 C ux {2,[S,D,T,B,Q]} {9,D} +9 C u0 {8,D} +10 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3322, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,D} {10,[S,D,T,B,Q]} +4 C u0 {3,D} +5 C u0 r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +6 C u0 r0 {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 C ux {2,[S,D,T,B,Q]} {9,D} +9 C u0 {8,D} +10 C ux {3,[S,D,T,B,Q]} +11 C u0 {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3323, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,D} {10,[S,D,T,B,Q]} +4 C u0 r0 {3,D} +5 C u0 r0 {1,[S,D,T,B,Q]} {11,D} +6 C u0 r0 {2,[S,D,T,B,Q]} {7,D} +7 C ux r0 {6,D} +8 C ux {2,[S,D,T,B,Q]} {9,D} +9 C u0 r0 {8,D} +10 C ux {3,[S,D,T,B,Q]} +11 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 3324, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,D} {10,[S,D,T,B,Q]} +4 C u0 r0 {3,D} +5 C u0 r0 {1,[S,D,T,B,Q]} {11,[S,T,Q,B]} +6 C u0 r0 {2,[S,D,T,B,Q]} {7,D} +7 C ux r0 {6,D} +8 C ux {2,[S,D,T,B,Q]} {9,D} +9 C u0 r0 {8,D} +10 C ux {3,[S,D,T,B,Q]} +11 C u0 r0 {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3325, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,S} {8,S} +3 *3 C u1 r0 {4,D} +4 C u0 {3,D} +5 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +6 C u0 r0 {2,S} {7,D} +7 C u0 {6,D} +8 C u0 {2,S} {9,D} +9 C u0 {8,D} +10 C u0 {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3326, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} {8,S} +3 *3 C u1 r0 {4,D} +4 C u0 r0 {3,D} +5 C u0 r0 {1,S} {10,D} +6 C u0 r0 {2,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {2,S} {9,D} +9 C u0 r0 {8,D} +10 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 3327, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} {8,S} +3 *3 C u1 r0 {4,D} +4 C u0 r0 {3,D} +5 C u0 r0 {1,S} {10,[S,T,Q,B]} +6 C u0 r0 {2,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {2,S} {9,D} +9 C u0 r0 {8,D} +10 C u0 r0 {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3328, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {9,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3329, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,S} {8,S} +3 *3 C u1 r0 {4,D} {9,S} +4 C u0 {3,D} +5 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +6 C u0 r0 {2,S} {7,[S,D,T,B,Q]} +7 C u0 {6,[S,D,T,B,Q]} +8 C u0 {2,S} +9 C u0 {3,S} +10 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3330, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,S} {8,S} +3 *3 C u1 r0 {4,D} {9,S} +4 C u0 {3,D} +5 C u0 r0 {1,S} {10,D} +6 C u0 r0 {2,S} {7,[S,D,T,B,Q]} +7 C u0 {6,[S,D,T,B,Q]} +8 C u0 {2,S} +9 C u0 {3,S} +10 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3331, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} {8,S} +3 *3 C u1 r0 {4,D} {9,S} +4 C u0 r0 {3,D} +5 C u0 r0 {1,S} {10,D} +6 C u0 r0 {2,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {2,S} +9 C u0 r0 {3,S} +10 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3332, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} {8,S} +3 *3 C u1 r0 {4,D} {9,S} +4 C u0 r0 {3,D} +5 C u0 r0 {1,S} {10,D} +6 C u0 r0 {2,S} {7,T} +7 C u0 r0 {6,T} +8 C u0 r0 {2,S} +9 C u0 r0 {3,S} +10 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3333, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,S} {8,S} +3 *3 C u1 r0 {4,D} {9,S} +4 C u0 {3,D} +5 C u0 r0 {1,S} {10,[S,T,Q,B]} +6 C u0 r0 {2,S} {7,[S,D,T,B,Q]} +7 C u0 {6,[S,D,T,B,Q]} +8 C u0 {2,S} +9 C u0 {3,S} +10 C ux {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3334, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} {8,S} +3 *3 C u1 r0 {4,D} {9,S} +4 C u0 r0 {3,D} +5 C u0 r0 {1,S} {10,[S,T,Q,B]} +6 C u0 r0 {2,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {2,S} +9 C u0 r0 {3,S} +10 C ux {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3335, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} {8,S} +3 *3 C u1 r0 {4,D} {9,S} +4 C u0 r0 {3,D} +5 C u0 r0 {1,S} {10,[S,T,Q,B]} +6 C u0 r0 {2,S} {7,T} +7 C u0 r0 {6,T} +8 C u0 r0 {2,S} +9 C u0 r0 {3,S} +10 C ux {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3336, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {9,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 C ux {2,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3337, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {9,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +8 C ux {2,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3338, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} +9 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3339, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {9,D} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} +9 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3340, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {9,D} +6 C ux r0 {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 C ux {2,[S,D,T,B,Q]} +9 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3341, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {9,D} +6 C ux r0 {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +8 C ux {2,[S,D,T,B,Q]} +9 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3342, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {9,[S,T,Q,B]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} +9 C ux {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3343, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {9,[S,T,Q,B]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 C ux {2,[S,D,T,B,Q]} +9 C ux {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3344, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {9,[S,T,Q,B]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +8 C ux {2,[S,D,T,B,Q]} +9 C ux {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3345, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3346, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +8 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3347, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {8,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3348, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,S} +3 *3 C u1 r0 {4,D} {8,S} +4 C u0 {3,D} +5 C u0 r0 {1,S} {9,[S,D,T,B,Q]} +6 C u0 r0 {2,S} {7,[S,D,T,B,Q]} +7 C u0 {6,[S,D,T,B,Q]} +8 C u0 {3,S} +9 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3349, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,S} +3 *3 C u1 r0 {4,D} {8,S} +4 C u0 {3,D} +5 C u0 r0 {1,S} {9,D} +6 C u0 r0 {2,S} {7,[S,D,T,B,Q]} +7 C u0 {6,[S,D,T,B,Q]} +8 C u0 {3,S} +9 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3350, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} +3 *3 C u1 r0 {4,D} {8,S} +4 C u0 r0 {3,D} +5 C u0 r0 {1,S} {9,D} +6 C u0 r0 {2,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {3,S} +9 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3351, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} +3 *3 C u1 r0 {4,D} {8,S} +4 C u0 r0 {3,D} +5 C u0 r0 {1,S} {9,D} +6 C u0 r0 {2,S} {7,T} +7 C u0 r0 {6,T} +8 C u0 r0 {3,S} +9 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3352, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,S} +3 *3 C u1 r0 {4,D} {8,S} +4 C u0 {3,D} +5 C u0 r0 {1,S} {9,[S,T,Q,B]} +6 C u0 r0 {2,S} {7,[S,D,T,B,Q]} +7 C u0 {6,[S,D,T,B,Q]} +8 C u0 {3,S} +9 C ux {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3353, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} +3 *3 C u1 r0 {4,D} {8,S} +4 C u0 r0 {3,D} +5 C u0 r0 {1,S} {9,[S,T,Q,B]} +6 C u0 r0 {2,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {3,S} +9 C ux {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3354, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} +3 *3 C u1 r0 {4,D} {8,S} +4 C u0 r0 {3,D} +5 C u0 r0 {1,S} {9,[S,T,Q,B]} +6 C u0 r0 {2,S} {7,T} +7 C u0 r0 {6,T} +8 C u0 r0 {3,S} +9 C ux {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3355, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {8,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3356, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {8,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +8 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3357, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3358, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {8,D} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3359, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {8,D} +6 C ux r0 {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3360, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {8,D} +6 C ux r0 {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +8 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3361, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {8,[S,T,Q,B]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3362, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {8,[S,T,Q,B]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 C ux {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3363, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {8,[S,T,Q,B]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +8 C ux {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3364, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 3365, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 3366, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,S} +6 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3367, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,S} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3368, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {8,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,S} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3369, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {8,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,S} {9,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 C ux {3,[S,D,T,B,Q]} +9 C u0 {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3370, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {8,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,S} {9,D} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 C ux {3,[S,D,T,B,Q]} +9 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 3371, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {8,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,S} {9,[S,T,Q,B]} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 C ux {3,[S,D,T,B,Q]} +9 C u0 r0 {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3372, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,D} +4 C u0 {3,D} +5 C u0 r0 {1,S} {8,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 C u0 {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3373, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-5R!H-R_Sp-8R!H=5R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,D} +4 C u0 r0 {3,D} +5 C u0 r0 {1,S} {8,D} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 3374, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-5R!H-R_N-Sp-8R!H=5R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,D} +4 C u0 r0 {3,D} +5 C u0 r0 {1,S} {8,[S,T,Q,B]} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 C u0 r0 {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3375, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {7,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,S} +6 C ux {2,[S,D,T,B,Q]} +7 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3376, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,D} {7,S} +4 C u0 {3,D} +5 C u0 r0 {1,S} {8,[S,D,T,B,Q]} +6 C u0 {2,[S,D,T,B,Q]} +7 C u0 {3,S} +8 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3377, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Sp-8R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,D} {7,S} +4 C u0 {3,D} +5 C u0 r0 {1,S} {8,D} +6 C u0 {2,[S,D,T,B,Q]} +7 C u0 {3,S} +8 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3378, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Sp-8R!H=5R!H_Sp-6R!H-2C", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} +3 *3 C u1 r0 {4,D} {7,S} +4 C u0 r0 {3,D} +5 C u0 r0 {1,S} {8,D} +6 C u0 r0 {2,S} +7 C u0 r0 {3,S} +8 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3379, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Sp-8R!H=5R!H_N-Sp-6R!H-2C", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,D} +3 *3 C u1 r0 {4,D} {7,S} +4 C u0 r0 {3,D} +5 C u0 r0 {1,S} {8,D} +6 C u0 r0 {2,D} +7 C u0 r0 {3,S} +8 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3380, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_N-Sp-8R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,D} {7,S} +4 C u0 {3,D} +5 C u0 r0 {1,S} {8,[S,T,Q,B]} +6 C u0 {2,[S,D,T,B,Q]} +7 C u0 {3,S} +8 C ux {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3381, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_N-Sp-8R!H=5R!H_Sp-6R!H-2C", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} +3 *3 C u1 r0 {4,D} {7,S} +4 C u0 r0 {3,D} +5 C u0 r0 {1,S} {8,[S,T,Q,B]} +6 C u0 r0 {2,S} +7 C u0 r0 {3,S} +8 C ux {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3382, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_N-Sp-8R!H=5R!H_N-Sp-6R!H-2C", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,D} +3 *3 C u1 r0 {4,D} {7,S} +4 C u0 r0 {3,D} +5 C u0 r0 {1,S} {8,[S,T,Q,B]} +6 C u0 r0 {2,D} +7 C u0 r0 {3,S} +8 C ux {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3383, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Sp-6R!H-2C", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,S} +3 *3 C u[1,2,3,4] r0 {4,D} {7,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,S} +6 C ux {2,S} +7 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3384, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_N-Sp-6R!H-2C", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,D} +3 *3 C u[1,2,3,4] r0 {4,D} {7,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,S} +6 C ux {2,D} +7 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3385, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,S} {7,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} +7 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3386, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,S} {7,D} +6 C ux {2,[S,D,T,B,Q]} +7 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3387, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H_Sp-6R!H-2C", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,S} {7,D} +6 C ux {2,S} +7 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3388, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H_N-Sp-6R!H-2C", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,D} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,S} {7,D} +6 C ux {2,D} +7 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3389, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,S} {7,[S,T,Q,B]} +6 C ux {2,[S,D,T,B,Q]} +7 C ux {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3390, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H_Sp-6R!H-2C", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,S} {7,[S,T,Q,B]} +6 C ux {2,S} +7 C ux {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3391, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H_N-Sp-6R!H-2C", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,D} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,S} {7,[S,T,Q,B]} +6 C ux {2,D} +7 C ux {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3392, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Sp-6R!H-2C", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,S} +6 C ux {2,S} +""", + kinetics = None, +) + +entry( + index = 3393, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_N-Sp-6R!H-2C", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,D} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,S} +6 C ux {2,D} +""", + kinetics = None, +) + +entry( + index = 3394, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_N-Sp-5R!H-1R!H", + group = +""" +1 *1 C u0 {2,D} {5,D} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,D} +6 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3395, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-2C-R", + group = +""" +1 *1 C u0 {2,D} {5,D} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,D} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3396, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R", + group = +""" +1 *1 C u0 {2,D} {5,D} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {8,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,D} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3397, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-3R-R", + group = +""" +1 *1 C u0 {2,D} {5,D} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {7,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,D} +6 C ux {2,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3398, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} +3 *3 C u1 r0 {4,D} +4 C u0 {3,D} +5 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3399, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Ext-3R-R", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} +3 *3 C u1 r0 {4,D} {6,[S,D,T,B,Q]} +4 C u0 {3,D} +5 C u0 r0 {1,S} +6 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3400, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} +3 *3 C u1 r0 {4,D} {6,[S,D,T,B,Q]} +4 C u0 {3,D} +5 C u0 r0 {1,S} {7,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +7 C u0 {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3401, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Sp-7R!H=5R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,D} {6,[S,D,T,B,Q]} +4 C u0 r0 {3,D} +5 C u0 r0 {1,S} {7,D} +6 C ux {3,[S,D,T,B,Q]} +7 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 3402, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_N-Sp-7R!H=5R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,D} {6,[S,D,T,B,Q]} +4 C u0 r0 {3,D} +5 C u0 r0 {1,S} {7,[S,T,Q,B]} +6 C ux {3,[S,D,T,B,Q]} +7 C u0 r0 {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3403, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} +3 *3 C u1 r0 {4,D} +4 C u0 {3,D} +5 C u0 r0 {1,S} {6,[S,D,T,B,Q]} +6 C u0 {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3404, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-6R!H=5R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,D} +4 C u0 r0 {3,D} +5 C u0 r0 {1,S} {6,D} +6 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 3405, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,D} +4 C u0 r0 {3,D} +5 C u0 r0 {1,S} {6,[S,T,Q,B]} +6 C u0 r0 {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3406, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_N-Sp-5R!H-1R!H", + group = +""" +1 *1 C u0 {2,D} {5,D} +2 *2 C u0 {1,D} +3 *3 C u1 r0 {4,D} +4 C u0 {3,D} +5 C u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 3407, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_N-Sp-5R!H-1R!H_Ext-3R-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,D} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,D} {6,[S,D,T,B,Q]} +4 C u0 r0 {3,D} +5 C u0 r0 {1,D} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3408, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R", + group = +""" +1 *1 R!H u0 {2,D} +2 *2 C u0 {1,D} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3409, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux {2,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3410, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_5R!H-inRing", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r1 {2,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3411, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_5R!H-inRing_Ext-2C-R", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {5,S} {7,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r1 {2,S} {6,[S,D,T,B,Q]} +6 C u0 {5,[S,D,T,B,Q]} +7 C u0 {2,S} +""", + kinetics = None, +) + +entry( + index = 3412, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_5R!H-inRing_Ext-2C-R_Ext-3R-R", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {5,S} {7,S} +3 *3 C u[1,2,3,4] r0 {4,D} {8,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r1 {2,S} {6,[S,D,T,B,Q]} +6 C u0 r1 {5,[S,D,T,B,Q]} +7 C u0 r0 {2,S} +8 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3413, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_5R!H-inRing_Ext-3R-R", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {7,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r1 {2,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 C ux r1 {5,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3414, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {2,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3415, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {2,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 C ux {5,[S,D,T,B,Q]} +7 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3416, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,D} +4 C u0 {3,D} +5 C u0 r0 {2,[S,D,T,B,Q]} {6,D} +6 C ux {5,D} +7 C ux {2,[S,D,T,B,Q]} {8,D} +8 C u0 {7,D} +""", + kinetics = None, +) + +entry( + index = 3417, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-7R!H-R_Ext-3R-R", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,D} {9,[S,D,T,B,Q]} +4 C u0 r0 {3,D} +5 C u0 r0 {2,[S,D,T,B,Q]} {6,D} +6 C ux r0 {5,D} +7 C ux {2,[S,D,T,B,Q]} {8,D} +8 C u0 r0 {7,D} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3418, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-3R-R", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {5,S} {7,S} +3 *3 C u1 r0 {4,D} {8,S} +4 C u0 {3,D} +5 C u0 r0 {2,S} {6,[S,D,T,B,Q]} +6 C u0 {5,[S,D,T,B,Q]} +7 C u0 {2,S} +8 C u0 {3,S} +""", + kinetics = None, +) + +entry( + index = 3419, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-3R-R_Sp-6R!H=5R!H", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {5,S} {7,S} +3 *3 C u1 r0 {4,D} {8,S} +4 C u0 r0 {3,D} +5 C u0 r0 {2,S} {6,D} +6 C u0 r0 {5,D} +7 C u0 r0 {2,S} +8 C u0 r0 {3,S} +""", + kinetics = None, +) + +entry( + index = 3420, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-3R-R_N-Sp-6R!H=5R!H", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {5,S} {7,S} +3 *3 C u1 r0 {4,D} {8,S} +4 C u0 r0 {3,D} +5 C u0 r0 {2,S} {6,T} +6 C u0 r0 {5,T} +7 C u0 r0 {2,S} +8 C u0 r0 {3,S} +""", + kinetics = None, +) + +entry( + index = 3421, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-6R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {2,[S,D,T,B,Q]} {6,D} +6 C ux {5,D} +7 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3422, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R_N-Sp-6R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {2,[S,D,T,B,Q]} {6,T} +6 C ux {5,T} +7 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3423, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Sp-6R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {5,S} +3 *3 C u1 r0 {4,D} +4 C u0 {3,D} +5 C u0 r0 {2,S} {6,D} +6 C u0 {5,D} +""", + kinetics = None, +) + +entry( + index = 3424, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Sp-6R!H=5R!H_Ext-3R-R", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {5,S} +3 *3 C u1 r0 {4,D} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,D} +5 C u0 r0 {2,S} {6,D} +6 C u0 r0 {5,D} +7 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3425, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_N-Sp-6R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {5,S} +3 *3 C u1 r0 {4,D} +4 C u0 {3,D} +5 C u0 r0 {2,S} {6,T} +6 C u0 {5,T} +""", + kinetics = None, +) + +entry( + index = 3426, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_N-Sp-6R!H=5R!H_Ext-3R-R", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {5,S} +3 *3 C u1 r0 {4,D} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,D} +5 C u0 r0 {2,S} {6,T} +6 C u0 r0 {5,T} +7 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3427, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-2C-R", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,D} +4 C u0 {3,D} +5 R!H ux {2,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3428, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-2C-R_Ext-3R-R", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,D} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,D} +5 R!H ux {2,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3429, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-3R-R", + group = +""" +1 *1 R!H u0 {2,D} +2 *2 C u0 {1,D} {5,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,D} {6,S} +4 C u0 {3,D} +5 R!H ux {2,[S,D,T,B,Q]} +6 C u0 {3,S} +""", + kinetics = None, +) + +entry( + index = 3430, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-3R-R_Sp-5R!H-2C", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {5,S} +3 *3 C u1 r0 {4,D} {6,S} +4 C u0 r0 {3,D} +5 C u0 {2,S} +6 C u0 r0 {3,S} +""", + kinetics = None, +) + +entry( + index = 3431, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-3R-R_N-Sp-5R!H-2C", + group = +""" +1 *1 R!H u0 {2,D} +2 *2 C u0 r0 {1,D} {5,D} +3 *3 C u1 r0 {4,D} {6,S} +4 C u0 r0 {3,D} +5 R!H ux {2,D} +6 C u0 r0 {3,S} +""", + kinetics = None, +) + +entry( + index = 3432, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Sp-5R!H-2C", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {5,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 3433, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_N-Sp-5R!H-2C", + group = +""" +1 *1 R!H u0 {2,D} +2 *2 C u0 {1,D} {5,D} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 R!H ux {2,D} +""", + kinetics = None, +) + +entry( + index = 3434, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-3R-R", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3435, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H", + group = +""" +1 *1 C u0 {2,[B,T]} +2 *2 C u0 {1,[B,T]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +""", + kinetics = None, +) + +entry( + index = 3436, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[B,T]} +2 *2 C u0 {1,[B,T]} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3437, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,[B,T]} +2 *2 C u0 {1,[B,T]} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux {2,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3438, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H", + group = +""" +1 *1 C u0 {2,[B,T]} +2 *2 C u0 {1,[B,T]} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux {2,[S,D,T,B,Q]} {6,D} +6 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3439, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1R!H-R", + group = +""" +1 *1 C u0 {2,[B,T]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,T]} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux {2,[S,D,T,B,Q]} {6,D} +6 C ux {5,D} +7 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3440, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,[B,T]} {7,S} +2 *2 C u0 {1,[B,T]} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux {2,[S,D,T,B,Q]} {6,D} +6 C u0 {5,D} +7 C u0 {1,S} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3441, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,[B,T]} {7,S} +2 *2 C u0 {1,[B,T]} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux {2,[S,D,T,B,Q]} {6,D} +6 C u0 {5,D} +7 C u0 {1,S} {8,D} +8 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 3442, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H_Ext-3R-R", + group = +""" +1 *1 C u0 r0 {2,[B,T]} {7,S} +2 *2 C u0 r0 {1,[B,T]} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {9,[S,D,T,B,Q]} +4 C ux r0 {3,D} +5 C ux {2,[S,D,T,B,Q]} {6,D} +6 C u0 r0 {5,D} +7 C u0 r0 {1,S} {8,D} +8 C ux {7,D} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3443, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,[B,T]} {7,S} +2 *2 C u0 {1,[B,T]} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux {2,[S,D,T,B,Q]} {6,D} +6 C u0 {5,D} +7 C u0 {1,S} {8,[S,T,Q,B]} +8 C ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3444, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_Ext-3R-R", + group = +""" +1 *1 C u0 r0 {2,[B,T]} {7,S} +2 *2 C u0 r0 {1,[B,T]} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {9,[S,D,T,B,Q]} +4 C ux r0 {3,D} +5 C ux {2,[S,D,T,B,Q]} {6,D} +6 C u0 r0 {5,D} +7 C u0 r0 {1,S} {8,[S,T,Q,B]} +8 C ux {7,[S,T,Q,B]} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3445, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1R!H-R_Ext-3R-R", + group = +""" +1 *1 C u0 {2,[B,T]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,T]} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {8,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {2,[S,D,T,B,Q]} {6,D} +6 C ux {5,D} +7 C ux {1,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3446, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3R-R", + group = +""" +1 *1 C u0 {2,[B,T]} +2 *2 C u0 {1,[B,T]} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {7,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {2,[S,D,T,B,Q]} {6,D} +6 C ux {5,D} +7 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3447, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H", + group = +""" +1 *1 C u0 {2,[B,T]} +2 *2 C u0 {1,[B,T]} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux {2,[S,D,T,B,Q]} {6,[S,T,Q,B]} +6 C ux {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3448, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1R!H-R", + group = +""" +1 *1 C u0 {2,[B,T]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,T]} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux {2,[S,D,T,B,Q]} {6,[S,T,Q,B]} +6 C ux {5,[S,T,Q,B]} +7 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3449, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,[B,T]} {7,S} +2 *2 C u0 {1,[B,T]} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux {2,[S,D,T,B,Q]} {6,T} +6 C u0 {5,T} +7 C u0 {1,S} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3450, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,[B,T]} {7,S} +2 *2 C u0 {1,[B,T]} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux {2,[S,D,T,B,Q]} {6,T} +6 C u0 {5,T} +7 C u0 {1,S} {8,D} +8 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 3451, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H_Ext-3R-R", + group = +""" +1 *1 C u0 r0 {2,[B,T]} {7,S} +2 *2 C u0 r0 {1,[B,T]} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {9,[S,D,T,B,Q]} +4 C ux r0 {3,D} +5 C ux {2,[S,D,T,B,Q]} {6,T} +6 C u0 r0 {5,T} +7 C u0 r0 {1,S} {8,D} +8 C ux {7,D} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3452, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,[B,T]} {7,S} +2 *2 C u0 {1,[B,T]} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux {2,[S,D,T,B,Q]} {6,T} +6 C u0 {5,T} +7 C u0 {1,S} {8,[S,T,Q,B]} +8 C ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3453, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_Ext-3R-R", + group = +""" +1 *1 C u0 r0 {2,[B,T]} {7,S} +2 *2 C u0 r0 {1,[B,T]} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {9,[S,D,T,B,Q]} +4 C ux r0 {3,D} +5 C ux {2,[S,D,T,B,Q]} {6,T} +6 C u0 r0 {5,T} +7 C u0 r0 {1,S} {8,[S,T,Q,B]} +8 C ux {7,[S,T,Q,B]} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3454, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1R!H-R_Ext-3R-R", + group = +""" +1 *1 C u0 {2,[B,T]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,T]} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {8,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {2,[S,D,T,B,Q]} {6,[S,T,Q,B]} +6 C ux {5,[S,T,Q,B]} +7 C ux {1,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3455, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-3R-R", + group = +""" +1 *1 C u0 {2,[B,T]} +2 *2 C u0 {1,[B,T]} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {7,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {2,[S,D,T,B,Q]} {6,[S,T,Q,B]} +6 C ux {5,[S,T,Q,B]} +7 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3456, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-1R!H-R", + group = +""" +1 *1 C u0 {2,[B,T]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,T]} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux {2,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3457, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,T} {6,S} +2 *2 C u0 {1,T} {5,S} +3 *3 C u1 r0 {4,D} +4 C u0 {3,D} +5 C u0 {2,S} +6 C u0 {1,S} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3458, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,T} {6,S} +2 *2 C u0 {1,T} {5,S} +3 *3 C u1 r0 {4,D} +4 C u0 {3,D} +5 C u0 {2,S} +6 C u0 {1,S} {7,D} +7 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 3459, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-3R-R", + group = +""" +1 *1 C u0 r0 {2,T} {6,S} +2 *2 C u0 r0 {1,T} {5,S} +3 *3 C u1 r0 {4,D} {8,[S,D,T,B,Q]} +4 C u0 r0 {3,D} +5 C u0 r0 {2,S} +6 C u0 r0 {1,S} {7,D} +7 C ux {6,D} +8 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3460, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,T} {6,S} +2 *2 C u0 {1,T} {5,S} +3 *3 C u1 r0 {4,D} +4 C u0 {3,D} +5 C u0 {2,S} +6 C u0 {1,S} {7,[S,T,Q,B]} +7 C ux {6,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3461, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-3R-R", + group = +""" +1 *1 C u0 r0 {2,T} {6,S} +2 *2 C u0 r0 {1,T} {5,S} +3 *3 C u1 r0 {4,D} {8,[S,D,T,B,Q]} +4 C u0 r0 {3,D} +5 C u0 r0 {2,S} +6 C u0 r0 {1,S} {7,[S,T,Q,B]} +7 C ux {6,[S,T,Q,B]} +8 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3462, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-3R-R", + group = +""" +1 *1 C u0 {2,[B,T]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,T]} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {7,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {2,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3463, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-3R-R", + group = +""" +1 *1 C u0 {2,[B,T]} +2 *2 C u0 {1,[B,T]} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {6,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {2,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3464, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-1R!H-R", + group = +""" +1 *1 C u0 {2,[B,T]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,T]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3465, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-1R!H-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,T} {5,S} +2 *2 C u0 {1,T} +3 *3 C u1 r0 {4,D} +4 C u0 {3,D} +5 C u0 {1,S} {6,[S,D,T,B,Q]} +6 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3466, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-1R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H", + group = +""" +1 *1 C u0 {2,T} {5,S} +2 *2 C u0 {1,T} +3 *3 C u1 r0 {4,D} +4 C u0 {3,D} +5 C u0 {1,S} {6,D} +6 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3467, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-1R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3R-R", + group = +""" +1 *1 C u0 r0 {2,T} {5,S} +2 *2 C u0 r0 {1,T} +3 *3 C u1 r0 {4,D} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,D} +5 C u0 r0 {1,S} {6,D} +6 C ux {5,D} +7 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3468, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-1R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H", + group = +""" +1 *1 C u0 {2,T} {5,S} +2 *2 C u0 {1,T} +3 *3 C u1 r0 {4,D} +4 C u0 {3,D} +5 C u0 {1,S} {6,[S,T,Q,B]} +6 C ux {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3469, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-1R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-3R-R", + group = +""" +1 *1 C u0 r0 {2,T} {5,S} +2 *2 C u0 r0 {1,T} +3 *3 C u1 r0 {4,D} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,D} +5 C u0 r0 {1,S} {6,[S,T,Q,B]} +6 C ux {5,[S,T,Q,B]} +7 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3470, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-1R!H-R_Ext-3R-R", + group = +""" +1 *1 C u0 {2,[B,T]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,T]} +3 *3 C u[1,2,3,4] r0 {4,D} {6,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {1,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3471, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-3R-R", + group = +""" +1 *1 C u0 {2,[B,T]} +2 *2 C u0 {1,[B,T]} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3472, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R", + group = +""" +1 *1 R!H u0 {2,[D,T,B]} +2 *2 R!H u0 {1,[D,T,B]} +3 *3 R u[1,2,3,4] r0 {4,[S,T]} +4 R!H ux {3,[S,T]} +""", + kinetics = None, +) + +entry( + index = 3473, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C", + group = +""" +1 *1 R!H u0 {2,[D,T,B]} +2 *2 R!H u0 {1,[D,T,B]} +3 *3 R u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +""", + kinetics = None, +) + +entry( + index = 3474, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 R!H u0 {1,[D,T,B]} +3 *3 R u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3475, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 R!H ux r1 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3476, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3477, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3478, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 C ux {5,[S,D,T,B,Q]} +9 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3479, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 C ux {5,[S,D,T,B,Q]} +9 C ux {7,[S,D,T,B,Q]} +10 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3480, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,S} {10,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C ux {3,S} +5 C u0 r1 {1,S} {8,B} +6 C u0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} {9,B} +8 C u0 {5,B} +9 C ux {7,B} +10 C u0 {1,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3481, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,S} {10,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {12,[S,D,T,B,Q]} +4 C ux {3,S} +5 C u0 r1 {1,S} {8,B} +6 C u0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} {9,B} +8 C u0 {5,B} +9 C ux {7,B} +10 C u0 {1,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} +12 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3482, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,S} {10,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {12,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +4 C ux {3,S} +5 C u0 r1 {1,S} {8,B} +6 C u0 r1 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux r1 {6,[S,D,T,B,Q]} {9,B} +8 C u0 r1 {5,B} +9 C ux r1 {7,B} +10 C u0 {1,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} +12 R!H ux {3,[S,D,T,B,Q]} +13 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3483, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R_1R!H-inRing", + group = +""" +1 *1 C u0 r1 {2,[D,T,B]} {5,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 C ux r1 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux r1 {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 C ux r1 {5,[S,D,T,B,Q]} +9 C ux r1 {7,[S,D,T,B,Q]} +10 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3484, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R_N-1R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 C ux {5,[S,D,T,B,Q]} +9 C ux {7,[S,D,T,B,Q]} +10 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3485, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R_N-1R!H-inRing_Ext-3R-R", + group = +""" +1 *1 C u0 r0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {11,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 C ux {5,[S,D,T,B,Q]} +9 C ux {7,[S,D,T,B,Q]} +10 C ux {1,[S,D,T,B,Q]} +11 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3486, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R_N-1R!H-inRing_Ext-3R-R_Ext-3R-R", + group = +""" +1 *1 C u0 r0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {11,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 C ux r1 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux r1 {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 C ux r1 {5,[S,D,T,B,Q]} +9 C ux r1 {7,[S,D,T,B,Q]} +10 C ux {1,[S,D,T,B,Q]} +11 R!H ux {3,[S,D,T,B,Q]} +12 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3487, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_1R!H-inRing", + group = +""" +1 *1 C u0 r1 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 C ux r1 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux r1 {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 C ux r1 {5,[S,D,T,B,Q]} +9 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3488, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_N-1R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} +5 C u0 r1 {1,S} {8,B} +6 C u0 {2,S} {7,B} +7 C u0 {6,B} {9,B} +8 C u0 {5,B} +9 C u0 {7,B} +""", + kinetics = None, +) + +entry( + index = 3489, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_N-1R!H-inRing_Ext-2R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,S} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} +5 C u0 r1 {1,S} {8,B} +6 C u0 {2,S} {7,B} +7 C u0 {6,B} {9,B} +8 C u0 {5,B} +9 C u0 {7,B} +10 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3490, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-3R-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,S} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {11,[S,D,T,B,Q]} +4 C u0 {3,S} +5 C u0 r1 {1,S} {8,B} +6 C u0 {2,S} {7,B} +7 C u0 {6,B} {9,B} +8 C u0 {5,B} +9 C u0 {7,B} +10 C ux {2,[S,D,T,B,Q]} +11 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3491, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {11,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +4 C u0 r0 {3,S} +5 C u0 r1 {1,S} {8,B} +6 C u0 r1 {2,S} {7,B} +7 C u0 r1 {6,B} {9,B} +8 C u0 r1 {5,B} +9 C u0 r1 {7,B} +10 C ux {2,[S,D,T,B,Q]} +11 R!H ux {3,[S,D,T,B,Q]} +12 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3492, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_N-1R!H-inRing_Ext-3R-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,S} +3 *3 C u1 r0 {4,S} {10,[S,D,T,B,Q]} +4 C u0 {3,S} +5 C u0 r1 {1,S} {8,B} +6 C u0 {2,S} {7,B} +7 C u0 {6,B} {9,B} +8 C u0 {5,B} +9 C u0 {7,B} +10 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3493, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_N-1R!H-inRing_Ext-3R-R_Ext-3R-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} +3 *3 C u1 r0 {4,S} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +4 C u0 r0 {3,S} +5 C u0 r1 {1,S} {8,B} +6 C u0 r1 {2,S} {7,B} +7 C u0 r1 {6,B} {9,B} +8 C u0 r1 {5,B} +9 C u0 r1 {7,B} +10 R!H ux {3,[S,D,T,B,Q]} +11 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3494, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3495, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,S} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C ux {2,S} {7,D} +7 C ux {6,D} +8 C ux {2,[S,D,T,B,Q]} {9,D} +9 C u0 {8,D} +""", + kinetics = None, +) + +entry( + index = 3496, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-1R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,S} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C ux {2,S} {7,D} +7 C ux {6,D} +8 C ux {2,[S,D,T,B,Q]} {9,D} +9 C u0 {8,D} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3497, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-1R!H-R_Ext-3R-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,S} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {11,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C ux {2,S} {7,D} +7 C ux {6,D} +8 C ux {2,[S,D,T,B,Q]} {9,D} +9 C u0 {8,D} +10 R!H ux {1,[S,D,T,B,Q]} +11 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3498, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-1R!H-R_Ext-3R-R_Ext-3R-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {6,S} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {11,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C ux r0 {2,S} {7,D} +7 C ux r0 {6,D} +8 C ux {2,[S,D,T,B,Q]} {9,D} +9 C u0 r0 {8,D} +10 R!H ux {1,[S,D,T,B,Q]} +11 R!H ux {3,[S,D,T,B,Q]} +12 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3499, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-3R-R", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,S} {8,S} +3 *3 C u1 r0 {4,S} {10,[S,D,T,B,Q]} +4 C u0 {3,S} +5 C u0 r1 {1,S} +6 C u0 {2,S} {7,D} +7 C u0 {6,D} +8 C u0 {2,S} {9,D} +9 C u0 {8,D} +10 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3500, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-3R-R_Ext-3R-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} {8,S} +3 *3 C u1 r0 {4,S} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +4 C u0 r0 {3,S} +5 C u0 r1 {1,S} +6 C u0 r0 {2,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {2,S} {9,D} +9 C u0 r0 {8,D} +10 R!H ux {3,[S,D,T,B,Q]} +11 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3501, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3502, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_Ext-3R-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3503, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_Ext-3R-R_Ext-3R-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,S} {8,S} +3 *3 C u1 r0 {4,S} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +4 C u0 {3,S} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C u0 {2,S} {7,[S,D,T,B,Q]} +7 C u0 {6,[S,D,T,B,Q]} +8 C u0 {2,S} +9 R!H ux {1,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +11 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3504, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_Ext-3R-R_Ext-3R-R_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {6,S} {8,S} +3 *3 C u1 r0 {4,S} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +4 C u0 r0 {3,S} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C u0 r0 {2,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {2,S} +9 R!H ux {1,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +11 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3505, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {6,S} {8,S} +3 *3 C u1 r0 {4,S} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +4 C u0 r0 {3,S} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C u0 r0 {2,S} {7,T} +7 C u0 r0 {6,T} +8 C u0 r0 {2,S} +9 R!H ux {1,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +11 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3506, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_Ext-3R-R_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 C ux {2,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3507, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_Ext-3R-R_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +8 C ux {2,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3508, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 C ux {2,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3509, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +8 C ux {2,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3510, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-3R-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r1 {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3511, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r1 {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3512, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r1 {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 C ux {2,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3513, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r1 {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +8 C ux {2,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3514, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-3R-R_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r1 {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 C ux {2,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3515, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-3R-R_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r1 {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +8 C ux {2,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3516, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Sp-7R!H#6R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r1 {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +8 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3517, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_N-Sp-7R!H#6R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} {8,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} +5 C u0 r1 {1,[S,D,T,B,Q]} +6 C u0 {2,[S,D,T,B,Q]} {7,[B,D]} +7 C u0 {6,[B,D]} +8 C u0 {2,S} +""", + kinetics = None, +) + +entry( + index = 3518, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_N-Sp-7R!H#6R!H_1R!H-inRing", + group = +""" +1 *1 C u0 r1 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} {8,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 C u0 r1 {1,[S,D,T,B,Q]} +6 C u0 {2,[S,D,T,B,Q]} {7,[B,D]} +7 C u0 {6,[B,D]} +8 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 3519, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_N-Sp-7R!H#6R!H_N-1R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} {8,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 C u0 r1 {1,[S,D,T,B,Q]} +6 C u0 {2,[S,D,T,B,Q]} {7,[B,D]} +7 C u0 {6,[B,D]} +8 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 3520, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3521, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_Ext-3R-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3522, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_Ext-3R-R_Ext-3R-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C u0 {3,S} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C u0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C u0 {6,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3523, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_Ext-3R-R_Ext-3R-R_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C u0 r0 {3,S} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C u0 {2,[S,D,T,B,Q]} {7,D} +7 C u0 {6,D} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3524, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C u0 r0 {3,S} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C u0 {2,[S,D,T,B,Q]} {7,T} +7 C u0 {6,T} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3525, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_Ext-3R-R_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 R!H ux {1,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3526, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_Ext-3R-R_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +8 R!H ux {1,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3527, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_Sp-7R!H#6R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3528, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_N-Sp-7R!H#6R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C u0 {2,[S,D,T,B,Q]} {7,[B,D]} +7 C u0 {6,[B,D]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3529, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_N-Sp-7R!H#6R!H_1R!H-inRing", + group = +""" +1 *1 C u0 r1 {2,[D,T,B]} {5,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C u0 {2,[S,D,T,B,Q]} {7,[B,D]} +7 C u0 {6,[B,D]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3530, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_N-Sp-7R!H#6R!H_N-1R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C u0 {2,[S,D,T,B,Q]} {7,[B,D]} +7 C u0 {6,[B,D]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3531, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-3R-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r1 {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3532, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-3R-R_Ext-3R-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r1 {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3533, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-3R-R_Ext-3R-R_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r1 {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 R!H ux {3,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3534, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r1 {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +8 R!H ux {3,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3535, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-3R-R_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r1 {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3536, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-3R-R_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r1 {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +8 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3537, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r1 {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 3538, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} +5 C u0 r1 {1,[S,D,T,B,Q]} +6 C u0 {2,[S,D,T,B,Q]} {7,[S,T,B]} +7 C u0 {6,[S,T,B]} +""", + kinetics = None, +) + +entry( + index = 3539, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_1R!H-inRing", + group = +""" +1 *1 C u0 r1 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 C u0 r1 {1,[S,D,T,B,Q]} +6 C u0 {2,[S,D,T,B,Q]} {7,[S,T,B]} +7 C u0 {6,[S,T,B]} +""", + kinetics = None, +) + +entry( + index = 3540, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-1R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 C u0 r1 {1,[S,D,T,B,Q]} +6 C u0 {2,[S,D,T,B,Q]} {7,[S,T,B]} +7 C u0 {6,[S,T,B]} +""", + kinetics = None, +) + +entry( + index = 3541, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3542, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3543, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {9,[S,D,T,B,Q]} +4 C u0 {3,S} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3544, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C u0 r0 {3,S} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3545, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-3R-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3546, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-3R-R_Ext-3R-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3547, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-3R-R_Ext-3R-R_Sp-6R!H-2R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,S} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C ux {2,S} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3548, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-6R!H-2R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,D} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C ux {2,D} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3549, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-3R-R_Sp-6R!H-2R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,S} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C ux {2,S} +7 R!H ux {1,[S,D,T,B,Q]} +8 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3550, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-3R-R_N-Sp-6R!H-2R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,D} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C ux {2,D} +7 R!H ux {1,[S,D,T,B,Q]} +8 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3551, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-6R!H-2R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,S} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C ux {2,S} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3552, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-6R!H-2R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,D} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C ux {2,D} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3553, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r1 {1,S} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3554, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-2R!H-R_Ext-3R-R", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r1 {1,S} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3555, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r1 {1,S} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3556, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-3R-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r1 {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3557, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r1 {1,S} +6 C ux {2,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3558, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Sp-6R!H-2R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r1 {1,S} +6 C ux r0 {2,S} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3559, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-6R!H-2R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,D} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r1 {1,S} +6 C ux r0 {2,D} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3560, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-3R-R_Sp-6R!H-2R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,S} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r1 {1,[S,D,T,B,Q]} +6 C ux {2,S} +7 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3561, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-3R-R_N-Sp-6R!H-2R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,D} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r1 {1,[S,D,T,B,Q]} +6 C ux {2,D} +7 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3562, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Sp-6R!H-2R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r1 {1,S} +6 C ux r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 3563, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_N-Sp-6R!H-2R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,[B,D]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r1 {1,S} +6 C ux r0 {2,[B,D]} +""", + kinetics = None, +) + +entry( + index = 3564, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3565, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_Ext-3R-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3566, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-3R-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3567, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-3R-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} +4 C u0 {3,S} +5 C u0 r1 {1,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3568, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-3R-R_Ext-3R-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} +5 C u0 r1 {1,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3569, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 R!H u0 {1,[D,T,B]} +3 *3 R u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 R!H ux r0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3570, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 R u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 R!H ux r0 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3571, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 R!H ux r0 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3572, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 R!H ux r0 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 C ux {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3573, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3574, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3575, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3R-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3576, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +11 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3577, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +11 R!H ux {3,[S,D,T,B,Q]} +12 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3578, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 r0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +4 C u0 r0 {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +7 C u0 r1 {2,[S,D,T,B,Q]} {8,B} +8 C ux r1 {7,B} +9 C ux {2,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +11 R!H ux {3,[S,D,T,B,Q]} +12 C u0 r0 {5,[S,D,T,B,Q]} +13 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3579, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_Sp-12R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {12,D} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux r1 {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +11 R!H ux {3,[S,D,T,B,Q]} +12 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3580, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_N-Sp-12R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {12,T} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux r1 {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +11 R!H ux {3,[S,D,T,B,Q]} +12 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 3581, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3582, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} {10,S} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {11,[S,D,T,B,Q]} +6 C u0 r0 {1,S} {12,[S,D,T,B,Q]} +7 C u0 r1 {2,S} {8,B} +8 C u0 r1 {7,B} +9 C u0 r0 {2,S} +10 C u0 r0 {3,S} +11 C u0 r0 {5,[S,D,T,B,Q]} +12 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3583, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {11,D} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux r1 {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3584, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {11,T} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux r1 {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 3585, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3586, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +6 C u0 r0 {1,S} {11,[S,D,T,B,Q]} +7 C u0 r1 {2,S} {8,B} +8 C u0 r1 {7,B} +9 C u0 r0 {2,S} +10 C u0 r0 {5,[S,D,T,B,Q]} +11 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3587, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {10,D} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux r1 {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3588, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {10,T} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux r1 {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 3589, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3590, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-3R-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3591, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-3R-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +11 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3592, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} {6,S} +2 *2 C u0 r0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {11,[S,D,T,B,Q]} +6 C u0 r0 {1,S} {12,[S,D,T,B,Q]} +7 C u0 r1 {2,S} {8,B} +8 C u0 r1 {7,B} +9 R!H ux {3,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +11 C u0 r0 {5,[S,D,T,B,Q]} +12 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3593, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {11,D} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux r1 {7,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +11 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3594, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {11,T} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux r1 {7,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +11 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 3595, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3596, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} {6,S} +2 *2 C u0 r0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} {9,S} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +6 C u0 r0 {1,S} {11,[S,D,T,B,Q]} +7 C u0 r1 {2,S} {8,B} +8 C u0 r1 {7,B} +9 C u0 r0 {3,S} +10 C u0 r0 {5,[S,D,T,B,Q]} +11 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3597, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {10,D} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux r1 {7,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3598, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {10,T} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux r1 {7,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 3599, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3600, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} {6,S} +2 *2 C u0 r0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {9,[S,D,T,B,Q]} +6 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +7 C u0 r1 {2,S} {8,B} +8 C u0 r1 {7,B} +9 C u0 r0 {5,[S,D,T,B,Q]} +10 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3601, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,D} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux r1 {7,[S,D,T,B,Q]} +9 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3602, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_N-Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,T} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux r1 {7,[S,D,T,B,Q]} +9 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 3603, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 R!H ux r0 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3604, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 R!H ux r0 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3605, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3606, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3R-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {11,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3607, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3R-R_Ext-3R-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {11,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 R!H ux {3,[S,D,T,B,Q]} +12 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3608, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {11,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 R!H ux {3,[S,D,T,B,Q]} +12 R!H ux {3,[S,D,T,B,Q]} +13 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3609, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,S} {6,S} +2 *2 C u0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} {11,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +4 C ux {3,S} +5 C u0 r0 {1,S} {13,[S,D,T,B,Q]} +6 C u0 r0 {1,S} {14,[S,D,T,B,Q]} +7 C ux r0 {2,S} {8,[S,D,T,B,Q]} +8 C u0 {7,[S,D,T,B,Q]} +9 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 R!H ux {3,[S,D,T,B,Q]} +12 R!H ux {3,[S,D,T,B,Q]} +13 C u0 r0 {5,[S,D,T,B,Q]} +14 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3610, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_Sp-13R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {11,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {13,D} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 R!H ux {3,[S,D,T,B,Q]} +12 R!H ux {3,[S,D,T,B,Q]} +13 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3611, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_N-Sp-13R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {11,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {13,T} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 R!H ux {3,[S,D,T,B,Q]} +12 R!H ux {3,[S,D,T,B,Q]} +13 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 3612, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3R-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {11,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {3,[S,D,T,B,Q]} +12 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3613, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} {11,S} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {12,[S,D,T,B,Q]} +6 C u0 r0 {1,S} {13,[S,D,T,B,Q]} +7 C u0 r0 {2,S} {8,D} +8 C u0 r0 {7,D} +9 C u0 r0 {2,S} {10,D} +10 C u0 r0 {9,D} +11 C u0 r0 {3,S} +12 C u0 r0 {5,[S,D,T,B,Q]} +13 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3614, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3R-R_Ext-5R!H-R_Sp-12R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {11,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {12,D} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {3,[S,D,T,B,Q]} +12 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3615, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3R-R_Ext-5R!H-R_N-Sp-12R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {11,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {12,T} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {3,[S,D,T,B,Q]} +12 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 3616, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3617, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {11,[S,D,T,B,Q]} +6 C u0 r0 {1,S} {12,[S,D,T,B,Q]} +7 C u0 r0 {2,S} {8,D} +8 C u0 r0 {7,D} +9 C u0 r0 {2,S} {10,D} +10 C u0 r0 {9,D} +11 C u0 r0 {5,[S,D,T,B,Q]} +12 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3618, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R_Sp-11R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {11,D} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3619, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R_N-Sp-11R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {11,T} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 3620, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 R!H ux r0 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3621, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 R!H ux r0 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +11 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3622, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +11 R!H ux {3,[S,D,T,B,Q]} +12 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3623, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {12,D} +6 C ux {1,[S,D,T,B,Q]} {13,D} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +11 R!H ux {3,[S,D,T,B,Q]} +12 C ux {5,D} +13 C u0 {6,D} +""", + kinetics = None, +) + +entry( + index = 3624, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {12,D} +6 C ux {1,[S,D,T,B,Q]} {13,D} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 C ux {2,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +11 R!H ux {3,[S,D,T,B,Q]} +12 C ux {5,D} +13 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 3625, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {12,D} +6 C ux {1,[S,D,T,B,Q]} {13,D} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 C ux {2,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +11 R!H ux {3,[S,D,T,B,Q]} +12 C ux {5,D} +13 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 3626, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_Sp-12R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,S} {6,S} +2 *2 C u0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +4 C u0 {3,S} +5 C u0 r0 {1,S} {12,D} +6 C u0 {1,S} +7 C u0 r0 {2,S} {8,[S,D,T,B,Q]} +8 C u0 {7,[S,D,T,B,Q]} +9 C u0 {2,S} +10 R!H ux {3,[S,D,T,B,Q]} +11 R!H ux {3,[S,D,T,B,Q]} +12 C u0 {5,D} +""", + kinetics = None, +) + +entry( + index = 3627, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_Sp-12R!H=5R!H_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {12,D} +6 C u0 r0 {1,S} +7 C u0 r0 {2,S} {8,D} +8 C u0 r0 {7,D} +9 C u0 r0 {2,S} +10 R!H ux {3,[S,D,T,B,Q]} +11 R!H ux {3,[S,D,T,B,Q]} +12 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 3628, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_Sp-12R!H=5R!H_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {12,D} +6 C u0 r0 {1,S} +7 C u0 r0 {2,S} {8,T} +8 C u0 r0 {7,T} +9 C u0 r0 {2,S} +10 R!H ux {3,[S,D,T,B,Q]} +11 R!H ux {3,[S,D,T,B,Q]} +12 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 3629, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_N-Sp-12R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,S} {6,S} +2 *2 C u0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +4 C u0 {3,S} +5 C u0 r0 {1,S} {12,T} +6 C u0 {1,S} +7 C u0 r0 {2,S} {8,[S,D,T,B,Q]} +8 C u0 {7,[S,D,T,B,Q]} +9 C u0 {2,S} +10 R!H ux {3,[S,D,T,B,Q]} +11 R!H ux {3,[S,D,T,B,Q]} +12 C u0 {5,T} +""", + kinetics = None, +) + +entry( + index = 3630, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_N-Sp-12R!H=5R!H_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {12,T} +6 C u0 r0 {1,S} +7 C u0 r0 {2,S} {8,D} +8 C u0 r0 {7,D} +9 C u0 r0 {2,S} +10 R!H ux {3,[S,D,T,B,Q]} +11 R!H ux {3,[S,D,T,B,Q]} +12 C u0 r0 {5,T} +""", + kinetics = None, +) + +entry( + index = 3631, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_N-Sp-12R!H=5R!H_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {12,T} +6 C u0 r0 {1,S} +7 C u0 r0 {2,S} {8,T} +8 C u0 r0 {7,T} +9 C u0 r0 {2,S} +10 R!H ux {3,[S,D,T,B,Q]} +11 R!H ux {3,[S,D,T,B,Q]} +12 C u0 r0 {5,T} +""", + kinetics = None, +) + +entry( + index = 3632, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 R!H ux r0 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 C ux {2,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +11 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3633, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 R!H ux r0 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 C ux {2,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +11 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3634, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3635, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {11,D} +6 C ux {1,[S,D,T,B,Q]} {12,D} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux {5,D} +12 C u0 {6,D} +""", + kinetics = None, +) + +entry( + index = 3636, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {11,D} +6 C ux {1,[S,D,T,B,Q]} {12,D} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux {5,D} +12 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 3637, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {11,D} +6 C ux {1,[S,D,T,B,Q]} {12,D} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux {5,D} +12 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 3638, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,S} {6,S} +2 *2 C u0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} {10,S} +4 C u0 {3,S} +5 C u0 r0 {1,S} {11,D} +6 C u0 {1,S} +7 C u0 r0 {2,S} {8,[S,D,T,B,Q]} +8 C u0 {7,[S,D,T,B,Q]} +9 C u0 {2,S} +10 C u0 {3,S} +11 C u0 {5,D} +""", + kinetics = None, +) + +entry( + index = 3639, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} {10,S} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {11,D} +6 C u0 r0 {1,S} +7 C u0 r0 {2,S} {8,D} +8 C u0 r0 {7,D} +9 C u0 r0 {2,S} +10 C u0 r0 {3,S} +11 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 3640, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} {10,S} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {11,D} +6 C u0 r0 {1,S} +7 C u0 r0 {2,S} {8,T} +8 C u0 r0 {7,T} +9 C u0 r0 {2,S} +10 C u0 r0 {3,S} +11 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 3641, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,S} {6,S} +2 *2 C u0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} {10,S} +4 C u0 {3,S} +5 C u0 r0 {1,S} {11,T} +6 C u0 {1,S} +7 C u0 r0 {2,S} {8,[S,D,T,B,Q]} +8 C u0 {7,[S,D,T,B,Q]} +9 C u0 {2,S} +10 C u0 {3,S} +11 C u0 {5,T} +""", + kinetics = None, +) + +entry( + index = 3642, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} {10,S} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {11,T} +6 C u0 r0 {1,S} +7 C u0 r0 {2,S} {8,D} +8 C u0 r0 {7,D} +9 C u0 r0 {2,S} +10 C u0 r0 {3,S} +11 C u0 r0 {5,T} +""", + kinetics = None, +) + +entry( + index = 3643, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} {10,S} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {11,T} +6 C u0 r0 {1,S} +7 C u0 r0 {2,S} {8,T} +8 C u0 r0 {7,T} +9 C u0 r0 {2,S} +10 C u0 r0 {3,S} +11 C u0 r0 {5,T} +""", + kinetics = None, +) + +entry( + index = 3644, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 R!H ux r0 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3645, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 R!H ux r0 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3646, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3647, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {10,D} +6 C ux {1,[S,D,T,B,Q]} {11,D} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {5,D} +11 C u0 {6,D} +""", + kinetics = None, +) + +entry( + index = 3648, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {10,D} +6 C ux {1,[S,D,T,B,Q]} {11,D} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {5,D} +11 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 3649, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {10,D} +6 C ux {1,[S,D,T,B,Q]} {11,D} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {5,D} +11 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 3650, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,S} {6,S} +2 *2 C u0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} +5 C u0 r0 {1,S} {10,D} +6 C u0 {1,S} +7 C u0 r0 {2,S} {8,[S,D,T,B,Q]} +8 C u0 {7,[S,D,T,B,Q]} +9 C u0 {2,S} +10 C u0 {5,D} +""", + kinetics = None, +) + +entry( + index = 3651, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {10,D} +6 C u0 r0 {1,S} +7 C u0 r0 {2,S} {8,D} +8 C u0 r0 {7,D} +9 C u0 r0 {2,S} +10 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 3652, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {10,D} +6 C u0 r0 {1,S} +7 C u0 r0 {2,S} {8,T} +8 C u0 r0 {7,T} +9 C u0 r0 {2,S} +10 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 3653, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,S} {6,S} +2 *2 C u0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} +5 C u0 r0 {1,S} {10,T} +6 C u0 {1,S} +7 C u0 r0 {2,S} {8,[S,D,T,B,Q]} +8 C u0 {7,[S,D,T,B,Q]} +9 C u0 {2,S} +10 C u0 {5,T} +""", + kinetics = None, +) + +entry( + index = 3654, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {10,T} +6 C u0 r0 {1,S} +7 C u0 r0 {2,S} {8,D} +8 C u0 r0 {7,D} +9 C u0 r0 {2,S} +10 C u0 r0 {5,T} +""", + kinetics = None, +) + +entry( + index = 3655, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {10,T} +6 C u0 r0 {1,S} +7 C u0 r0 {2,S} {8,T} +8 C u0 r0 {7,T} +9 C u0 r0 {2,S} +10 C u0 r0 {5,T} +""", + kinetics = None, +) + +entry( + index = 3656, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 R!H ux r0 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3657, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 R!H ux r0 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3658, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3659, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Ext-3R-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3660, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Ext-3R-R_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 R!H ux {3,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3661, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 R!H ux {3,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +11 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3662, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 R!H ux {3,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +11 C u0 r0 {5,[S,D,T,B,Q]} +12 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3663, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R_Sp-11R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {11,D} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 R!H ux {3,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +11 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3664, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-11R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {11,T} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 R!H ux {3,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +11 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 3665, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Ext-3R-R_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 R!H ux {3,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3666, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 R!H ux {3,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +11 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3667, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 R!H ux {3,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +11 C u0 r0 {5,[S,D,T,B,Q]} +12 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3668, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_Sp-11R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {11,D} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 R!H ux {3,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +11 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3669, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-11R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {11,T} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 R!H ux {3,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +11 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 3670, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3671, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 C ux {3,[S,D,T,B,Q]} +10 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3672, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 C ux {3,[S,D,T,B,Q]} +10 C u0 r0 {5,[S,D,T,B,Q]} +11 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3673, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R_Sp-10R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {10,D} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 C ux {3,[S,D,T,B,Q]} +10 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3674, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-10R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {10,T} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 C ux {3,[S,D,T,B,Q]} +10 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 3675, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3676, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 C ux {3,[S,D,T,B,Q]} +10 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3677, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 C ux {3,[S,D,T,B,Q]} +10 C u0 r0 {5,[S,D,T,B,Q]} +11 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3678, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_Sp-10R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {10,D} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 C ux {3,[S,D,T,B,Q]} +10 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3679, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-10R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {10,T} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 C ux {3,[S,D,T,B,Q]} +10 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 3680, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 3681, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3682, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 C u0 r0 {5,[S,D,T,B,Q]} +10 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3683, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,D} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3684, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,T} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 3685, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +""", + kinetics = None, +) + +entry( + index = 3686, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3687, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 C u0 r0 {5,[S,D,T,B,Q]} +10 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3688, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,D} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3689, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,T} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 3690, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3691, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3R-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3692, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3693, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +11 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3694, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +11 C u0 r0 {5,[S,D,T,B,Q]} +12 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3695, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {11,D} +6 C ux {1,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +11 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3696, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {11,T} +6 C ux {1,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +11 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 3697, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3698, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} {6,S} +2 *2 C u0 r0 {1,D} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {9,S} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +6 C u0 r0 {1,S} {11,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 C u0 r0 {3,S} +10 C u0 r0 {5,[S,D,T,B,Q]} +11 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3699, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {10,D} +6 C ux {1,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3700, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {10,T} +6 C ux {1,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 3701, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3702, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} {6,S} +2 *2 C u0 r0 {1,D} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {9,[S,D,T,B,Q]} +6 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 C u0 r0 {5,[S,D,T,B,Q]} +10 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3703, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R_Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,D} +6 C ux {1,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3704, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R_N-Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,T} +6 C ux {1,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 3705, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3706, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3707, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Sp-7R!H-2R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,S} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,S} +8 R!H ux {3,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3708, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Sp-7R!H-2R!H_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,S} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,S} +8 R!H ux {3,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +10 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3709, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,S} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +7 C ux r0 {2,S} +8 R!H ux {3,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +10 C u0 r0 {5,[S,D,T,B,Q]} +11 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3710, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Sp-7R!H-2R!H_Ext-5R!H-R_Sp-10R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,S} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {10,D} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,S} +8 R!H ux {3,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +10 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3711, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-10R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,S} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {10,T} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,S} +8 R!H ux {3,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +10 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 3712, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-7R!H-2R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,D} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,D} +8 R!H ux {3,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3713, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-7R!H-2R!H_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,D} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,D} +8 R!H ux {3,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +10 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3714, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,D} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +7 C ux r0 {2,D} +8 R!H ux {3,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +10 C u0 r0 {5,[S,D,T,B,Q]} +11 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3715, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Sp-10R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,D} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {10,D} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,D} +8 R!H ux {3,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +10 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3716, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-10R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,D} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {10,T} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,D} +8 R!H ux {3,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +10 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 3717, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Sp-7R!H-2R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,S} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,S} +8 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3718, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Sp-7R!H-2R!H_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,S} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,S} +8 C ux {3,[S,D,T,B,Q]} +9 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3719, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,S} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +7 C ux {2,S} +8 C ux {3,[S,D,T,B,Q]} +9 C u0 r0 {5,[S,D,T,B,Q]} +10 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3720, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Sp-7R!H-2R!H_Ext-5R!H-R_Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,S} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,D} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,S} +8 C ux {3,[S,D,T,B,Q]} +9 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3721, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,S} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,T} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,S} +8 C ux {3,[S,D,T,B,Q]} +9 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 3722, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_N-Sp-7R!H-2R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,D} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,D} +8 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3723, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_N-Sp-7R!H-2R!H_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,D} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,D} +8 C ux {3,[S,D,T,B,Q]} +9 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3724, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,D} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +7 C ux {2,D} +8 C ux {3,[S,D,T,B,Q]} +9 C u0 r0 {5,[S,D,T,B,Q]} +10 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3725, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,D} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,D} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,D} +8 C ux {3,[S,D,T,B,Q]} +9 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3726, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,D} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,T} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,D} +8 C ux {3,[S,D,T,B,Q]} +9 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 3727, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,S} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,S} +""", + kinetics = None, +) + +entry( + index = 3728, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,S} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,S} +8 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3729, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,S} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +7 C ux r0 {2,S} +8 C u0 r0 {5,[S,D,T,B,Q]} +9 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3730, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R_Sp-8R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,S} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {8,D} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,S} +8 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3731, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,S} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {8,T} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,S} +8 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 3732, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,D} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,D} +""", + kinetics = None, +) + +entry( + index = 3733, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,D} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,D} +8 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3734, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,D} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +7 C ux r0 {2,D} +8 C u0 r0 {5,[S,D,T,B,Q]} +9 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3735, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Sp-8R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,D} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {8,D} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,D} +8 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3736, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,D} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {8,T} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,D} +8 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 3737, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3738, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C_Ext-3C-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3739, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C_Ext-3C-R_Ext-3C-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3740, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C_Ext-3C-R_Ext-3C-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +9 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3741, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +9 C u0 r0 {5,[S,D,T,B,Q]} +10 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3742, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,D} +6 C ux {1,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +9 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3743, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,T} +6 C ux {1,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +9 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 3744, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C_Ext-3C-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {3,[S,D,T,B,Q]} +8 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3745, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} {6,S} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,S} {7,S} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {8,[S,D,T,B,Q]} +6 C u0 r0 {1,S} {9,[S,D,T,B,Q]} +7 C u0 r0 {3,S} +8 C u0 r0 {5,[S,D,T,B,Q]} +9 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3746, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C_Ext-3C-R_Ext-5R!H-R_Sp-8R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {8,D} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {3,[S,D,T,B,Q]} +8 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3747, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C_Ext-3C-R_Ext-5R!H-R_N-Sp-8R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {8,T} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {3,[S,D,T,B,Q]} +8 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 3748, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3749, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} {6,S} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {7,[S,D,T,B,Q]} +6 C u0 r0 {1,S} {8,[S,D,T,B,Q]} +7 C u0 r0 {5,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3750, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C_Ext-5R!H-R_Sp-7R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {7,D} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3751, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C_Ext-5R!H-R_N-Sp-7R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {7,T} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 3752, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_N-3R->C", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 O u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 R!H ux r0 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3753, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 R!H u0 {1,D} +3 *3 R u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 R!H ux r0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3754, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} +3 *3 R u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3755, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3756, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3757, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux r1 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3758, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux r1 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3759, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux r1 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3760, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +6 C ux r1 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +10 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3761, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +4 C u0 {3,S} +5 C u0 r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +6 C u0 r1 {2,[S,D,T,B,Q]} {7,B} +7 C ux {6,B} +8 C ux {2,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +10 C ux {5,[S,D,T,B,Q]} +11 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3762, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_Sp-10R!H=5R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +4 C u0 r0 {3,S} +5 C u0 r0 {1,[S,D,T,B,Q]} {10,D} +6 C u0 r1 {2,[S,D,T,B,Q]} {7,B} +7 C ux r1 {6,B} +8 C ux {2,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +10 C ux {5,D} +11 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3763, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_N-Sp-10R!H=5R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +4 C u0 r0 {3,S} +5 C u0 r0 {1,[S,D,T,B,Q]} {10,T} +6 C u0 r1 {2,[S,D,T,B,Q]} {7,B} +7 C ux r1 {6,B} +8 C ux {2,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +10 C ux {5,T} +11 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3764, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {10,D} +6 C ux r1 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux r1 {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3765, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {10,T} +6 C ux r1 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux r1 {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 3766, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-3R-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux r1 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux r1 {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3767, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,S} {8,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} +5 C u0 r0 {1,S} {9,[S,D,T,B,Q]} +6 C u0 r1 {2,S} {7,B} +7 C u0 {6,B} +8 C u0 {2,S} +9 C u0 {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3768, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} {8,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {9,D} +6 C u0 r1 {2,S} {7,B} +7 C u0 r1 {6,B} +8 C u0 r0 {2,S} +9 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 3769, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} {8,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {9,[S,T,Q,B]} +6 C u0 r1 {2,S} {7,B} +7 C u0 r1 {6,B} +8 C u0 r0 {2,S} +9 C u0 r0 {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3770, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux r1 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3771, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 C ux r1 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +9 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3772, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Ext-3R-R", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,S} +3 *3 C u1 r0 {4,S} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C u0 {3,S} +5 C u0 r0 {1,S} {9,[S,D,T,B,Q]} +6 C u0 r1 {2,S} {7,B} +7 C u0 {6,B} +8 R!H ux {3,[S,D,T,B,Q]} +9 C ux {5,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3773, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} +3 *3 C u1 r0 {4,S} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {9,D} +6 C u0 r1 {2,S} {7,B} +7 C u0 r1 {6,B} +8 R!H ux {3,[S,D,T,B,Q]} +9 C ux {5,D} +10 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3774, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_N-Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} +3 *3 C u1 r0 {4,S} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {9,T} +6 C u0 r1 {2,S} {7,B} +7 C u0 r1 {6,B} +8 R!H ux {3,[S,D,T,B,Q]} +9 C ux {5,T} +10 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3775, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,D} +6 C ux r1 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux r1 {6,[S,D,T,B,Q]} +8 C ux {3,[S,D,T,B,Q]} +9 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3776, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,T} +6 C ux r1 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux r1 {6,[S,D,T,B,Q]} +8 C ux {3,[S,D,T,B,Q]} +9 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 3777, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R_Ext-3R-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux r1 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux r1 {6,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3778, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} +5 C u0 r0 {1,S} {8,[S,D,T,B,Q]} +6 C u0 r1 {2,S} {7,B} +7 C u0 {6,B} +8 C u0 {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3779, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {8,D} +6 C u0 r1 {2,S} {7,B} +7 C u0 r1 {6,B} +8 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 3780, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {8,[S,T,Q,B]} +6 C u0 r1 {2,S} {7,B} +7 C u0 r1 {6,B} +8 C u0 r0 {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3781, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3782, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3783, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3784, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3785, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +11 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3786, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,S} {8,S} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,S} {11,[S,D,T,B,Q]} +6 C ux r0 {2,S} {7,[S,D,T,B,Q]} +7 C u0 {6,[S,D,T,B,Q]} +8 C u0 {2,S} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +11 C ux {5,[S,D,T,B,Q]} +12 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3787, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_Sp-11R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,S} {8,S} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,S} {11,D} +6 C ux r0 {2,S} {7,[S,D,T,B,Q]} +7 C u0 {6,[S,D,T,B,Q]} +8 C u0 r0 {2,S} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +11 C ux {5,D} +12 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3788, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_N-Sp-11R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,S} {8,S} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,S} {11,T} +6 C ux r0 {2,S} {7,[S,D,T,B,Q]} +7 C u0 {6,[S,D,T,B,Q]} +8 C u0 r0 {2,S} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +11 C ux {5,T} +12 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3789, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {11,D} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3790, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {11,T} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 3791, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R_Ext-3R-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +11 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3792, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,S} {8,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} +5 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +6 C u0 r0 {2,S} {7,D} +7 C u0 {6,D} +8 C u0 {2,S} {9,D} +9 C u0 {8,D} +10 C u0 {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3793, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} {8,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {10,D} +6 C u0 r0 {2,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {2,S} {9,D} +9 C u0 r0 {8,D} +10 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 3794, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} {8,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {10,[S,T,Q,B]} +6 C u0 r0 {2,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {2,S} {9,D} +9 C u0 r0 {8,D} +10 C u0 r0 {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3795, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3796, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +10 C u0 {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3797, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +10 C u0 {5,[S,D,T,B,Q]} +11 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3798, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_Sp-10R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {10,D} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +10 C u0 {5,D} +11 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3799, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_Sp-10R!H=5R!H_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {10,D} +6 C ux r0 {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 C ux {2,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +10 C u0 r0 {5,D} +11 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3800, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_Sp-10R!H=5R!H_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {10,D} +6 C ux r0 {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +8 C ux {2,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +10 C u0 r0 {5,D} +11 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3801, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_N-Sp-10R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {10,T} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +10 C u0 {5,T} +11 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3802, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_N-Sp-10R!H=5R!H_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {10,T} +6 C ux r0 {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 C ux {2,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +10 C u0 r0 {5,T} +11 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3803, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_N-Sp-10R!H=5R!H_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {10,T} +6 C ux r0 {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +8 C ux {2,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +10 C u0 r0 {5,T} +11 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3804, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,S} {8,S} +3 *3 C u1 r0 {4,S} {9,S} +4 C u0 {3,S} +5 C u0 r0 {1,S} {10,D} +6 C u0 r0 {2,S} {7,[S,D,T,B,Q]} +7 C u0 {6,[S,D,T,B,Q]} +8 C u0 {2,S} +9 C u0 {3,S} +10 C u0 {5,D} +""", + kinetics = None, +) + +entry( + index = 3805, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} {8,S} +3 *3 C u1 r0 {4,S} {9,S} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {10,D} +6 C u0 r0 {2,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {2,S} +9 C u0 r0 {3,S} +10 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 3806, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} {8,S} +3 *3 C u1 r0 {4,S} {9,S} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {10,D} +6 C u0 r0 {2,S} {7,T} +7 C u0 r0 {6,T} +8 C u0 r0 {2,S} +9 C u0 r0 {3,S} +10 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 3807, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,S} {8,S} +3 *3 C u1 r0 {4,S} {9,S} +4 C u0 {3,S} +5 C u0 r0 {1,S} {10,T} +6 C u0 r0 {2,S} {7,[S,D,T,B,Q]} +7 C u0 {6,[S,D,T,B,Q]} +8 C u0 {2,S} +9 C u0 {3,S} +10 C u0 {5,T} +""", + kinetics = None, +) + +entry( + index = 3808, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} {8,S} +3 *3 C u1 r0 {4,S} {9,S} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {10,T} +6 C u0 r0 {2,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {2,S} +9 C u0 r0 {3,S} +10 C u0 r0 {5,T} +""", + kinetics = None, +) + +entry( + index = 3809, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} {8,S} +3 *3 C u1 r0 {4,S} {9,S} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {10,T} +6 C u0 r0 {2,S} {7,T} +7 C u0 r0 {6,T} +8 C u0 r0 {2,S} +9 C u0 r0 {3,S} +10 C u0 r0 {5,T} +""", + kinetics = None, +) + +entry( + index = 3810, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-3R-R", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,S} {8,S} +3 *3 C u1 r0 {4,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C u0 {3,S} +5 C u0 r0 {1,S} +6 C u0 r0 {2,S} {7,[S,D,T,B,Q]} +7 C u0 {6,[S,D,T,B,Q]} +8 C u0 {2,S} +9 R!H ux {3,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3811, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-3R-R_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} {8,S} +3 *3 C u1 r0 {4,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} +6 C u0 r0 {2,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {2,S} +9 R!H ux {3,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3812, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-3R-R_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} {8,S} +3 *3 C u1 r0 {4,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} +6 C u0 r0 {2,S} {7,T} +7 C u0 r0 {6,T} +8 C u0 r0 {2,S} +9 R!H ux {3,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3813, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 C ux {2,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3814, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +8 C ux {2,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3815, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} +9 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3816, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,D} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} +9 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3817, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,D} +6 C ux r0 {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 C ux {2,[S,D,T,B,Q]} +9 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3818, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,D} +6 C ux r0 {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +8 C ux {2,[S,D,T,B,Q]} +9 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3819, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,[S,T,Q,B]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} +9 C ux {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3820, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,[S,T,Q,B]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 C ux {2,[S,D,T,B,Q]} +9 C ux {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3821, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,[S,T,Q,B]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +8 C ux {2,[S,D,T,B,Q]} +9 C ux {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3822, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3823, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +8 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3824, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3825, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +9 C u0 {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3826, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Ext-3R-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +9 C u0 {5,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3827, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,D} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +9 C u0 {5,D} +10 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3828, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_Sp-9R!H=5R!H_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,D} +6 C ux r0 {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 R!H ux {3,[S,D,T,B,Q]} +9 C u0 r0 {5,D} +10 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3829, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_Sp-9R!H=5R!H_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,D} +6 C ux r0 {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +8 R!H ux {3,[S,D,T,B,Q]} +9 C u0 r0 {5,D} +10 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3830, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_N-Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,T} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +9 C u0 {5,T} +10 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3831, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_N-Sp-9R!H=5R!H_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,T} +6 C ux r0 {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 R!H ux {3,[S,D,T,B,Q]} +9 C u0 r0 {5,T} +10 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3832, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_N-Sp-9R!H=5R!H_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,T} +6 C ux r0 {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +8 R!H ux {3,[S,D,T,B,Q]} +9 C u0 r0 {5,T} +10 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3833, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,S} +3 *3 C u1 r0 {4,S} {8,S} +4 C u0 {3,S} +5 C u0 r0 {1,S} {9,D} +6 C u0 r0 {2,S} {7,[S,D,T,B,Q]} +7 C u0 {6,[S,D,T,B,Q]} +8 C u0 {3,S} +9 C u0 {5,D} +""", + kinetics = None, +) + +entry( + index = 3834, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} +3 *3 C u1 r0 {4,S} {8,S} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {9,D} +6 C u0 r0 {2,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {3,S} +9 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 3835, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} +3 *3 C u1 r0 {4,S} {8,S} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {9,D} +6 C u0 r0 {2,S} {7,T} +7 C u0 r0 {6,T} +8 C u0 r0 {3,S} +9 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 3836, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,S} +3 *3 C u1 r0 {4,S} {8,S} +4 C u0 {3,S} +5 C u0 r0 {1,S} {9,T} +6 C u0 r0 {2,S} {7,[S,D,T,B,Q]} +7 C u0 {6,[S,D,T,B,Q]} +8 C u0 {3,S} +9 C u0 {5,T} +""", + kinetics = None, +) + +entry( + index = 3837, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} +3 *3 C u1 r0 {4,S} {8,S} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {9,T} +6 C u0 r0 {2,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {3,S} +9 C u0 r0 {5,T} +""", + kinetics = None, +) + +entry( + index = 3838, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} +3 *3 C u1 r0 {4,S} {8,S} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {9,T} +6 C u0 r0 {2,S} {7,T} +7 C u0 r0 {6,T} +8 C u0 r0 {3,S} +9 C u0 r0 {5,T} +""", + kinetics = None, +) + +entry( + index = 3839, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-3R-R", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,S} +3 *3 C u1 r0 {4,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C u0 {3,S} +5 C u0 r0 {1,S} +6 C u0 r0 {2,S} {7,[S,D,T,B,Q]} +7 C u0 {6,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3840, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-3R-R_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} +3 *3 C u1 r0 {4,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} +6 C u0 r0 {2,S} {7,D} +7 C u0 r0 {6,D} +8 R!H ux {3,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3841, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-3R-R_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} +3 *3 C u1 r0 {4,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} +6 C u0 r0 {2,S} {7,T} +7 C u0 r0 {6,T} +8 R!H ux {3,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3842, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3843, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +8 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3844, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3845, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {8,D} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3846, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {8,D} +6 C ux r0 {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3847, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {8,D} +6 C ux r0 {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +8 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3848, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {8,[S,T,Q,B]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3849, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {8,[S,T,Q,B]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 C ux {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3850, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {8,[S,T,Q,B]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +8 C ux {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3851, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 3852, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 3853, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,S} +6 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3854, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,S} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3855, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,S} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3856, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,S} {9,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +9 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3857, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C u0 {3,S} +5 C u0 r0 {1,S} {9,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +9 C ux {5,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3858, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {9,D} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +9 C ux {5,D} +10 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3859, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_N-Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {9,T} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +9 C ux {5,T} +10 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3860, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,S} {9,D} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 C ux {3,[S,D,T,B,Q]} +9 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3861, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,S} {9,T} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 C ux {3,[S,D,T,B,Q]} +9 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 3862, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R_Ext-3R-R", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,S} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3863, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} +5 C u0 r0 {1,S} {8,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 C u0 {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3864, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-5R!H-R_Sp-8R!H=5R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {8,D} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 3865, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-5R!H-R_N-Sp-8R!H=5R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {8,[S,T,Q,B]} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 C u0 r0 {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3866, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,S} +6 C ux {2,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3867, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,S} {8,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3868, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Ext-3R-R", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,S} {8,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 {5,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3869, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_Sp-8R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,S} {8,D} +6 C ux {2,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 {5,D} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3870, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_Sp-8R!H=5R!H_Sp-6R!H-2C", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,S} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,S} {8,D} +6 C ux {2,S} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {5,D} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3871, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_Sp-8R!H=5R!H_N-Sp-6R!H-2C", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,D} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,S} {8,D} +6 C ux {2,D} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {5,D} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3872, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_N-Sp-8R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,S} {8,T} +6 C ux {2,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 {5,T} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3873, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_N-Sp-8R!H=5R!H_Sp-6R!H-2C", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,S} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,S} {8,T} +6 C ux {2,S} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {5,T} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3874, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_N-Sp-8R!H=5R!H_N-Sp-6R!H-2C", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,D} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,S} {8,T} +6 C ux {2,D} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {5,T} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3875, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Sp-8R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {7,S} +4 C u0 {3,S} +5 C u0 r0 {1,S} {8,D} +6 C u0 {2,[S,D,T,B,Q]} +7 C u0 {3,S} +8 C u0 {5,D} +""", + kinetics = None, +) + +entry( + index = 3876, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Sp-8R!H=5R!H_Sp-6R!H-2C", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} +3 *3 C u1 r0 {4,S} {7,S} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {8,D} +6 C u0 r0 {2,S} +7 C u0 r0 {3,S} +8 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 3877, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Sp-8R!H=5R!H_N-Sp-6R!H-2C", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,D} +3 *3 C u1 r0 {4,S} {7,S} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {8,D} +6 C u0 r0 {2,D} +7 C u0 r0 {3,S} +8 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 3878, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_N-Sp-8R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {7,S} +4 C u0 {3,S} +5 C u0 r0 {1,S} {8,T} +6 C u0 {2,[S,D,T,B,Q]} +7 C u0 {3,S} +8 C u0 {5,T} +""", + kinetics = None, +) + +entry( + index = 3879, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_N-Sp-8R!H=5R!H_Sp-6R!H-2C", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} +3 *3 C u1 r0 {4,S} {7,S} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {8,T} +6 C u0 r0 {2,S} +7 C u0 r0 {3,S} +8 C u0 r0 {5,T} +""", + kinetics = None, +) + +entry( + index = 3880, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_N-Sp-8R!H=5R!H_N-Sp-6R!H-2C", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,D} +3 *3 C u1 r0 {4,S} {7,S} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {8,T} +6 C u0 r0 {2,D} +7 C u0 r0 {3,S} +8 C u0 r0 {5,T} +""", + kinetics = None, +) + +entry( + index = 3881, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-3R-R", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 C u0 {3,S} +5 C u0 r0 {1,S} +6 C u0 {2,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3882, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-3R-R_Sp-6R!H-2C", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} +3 *3 C u1 r0 {4,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} +6 C u0 r0 {2,S} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3883, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-3R-R_N-Sp-6R!H-2C", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,D} +3 *3 C u1 r0 {4,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} +6 C u0 r0 {2,D} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3884, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Sp-6R!H-2C", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,S} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,S} +6 C ux {2,S} +7 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3885, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_N-Sp-6R!H-2C", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,D} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,S} +6 C ux {2,D} +7 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3886, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,S} {7,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} +7 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3887, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,S} {7,D} +6 C ux {2,[S,D,T,B,Q]} +7 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3888, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H_Sp-6R!H-2C", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,S} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,S} {7,D} +6 C ux {2,S} +7 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3889, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H_N-Sp-6R!H-2C", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,D} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,S} {7,D} +6 C ux {2,D} +7 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3890, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,S} {7,[S,T,Q,B]} +6 C ux {2,[S,D,T,B,Q]} +7 C ux {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3891, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H_Sp-6R!H-2C", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,S} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,S} {7,[S,T,Q,B]} +6 C ux {2,S} +7 C ux {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3892, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H_N-Sp-6R!H-2C", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,D} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,S} {7,[S,T,Q,B]} +6 C ux {2,D} +7 C ux {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3893, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Sp-6R!H-2C", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,S} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,S} +6 C ux {2,S} +""", + kinetics = None, +) + +entry( + index = 3894, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_N-Sp-6R!H-2C", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,D} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,S} +6 C ux {2,D} +""", + kinetics = None, +) + +entry( + index = 3895, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_N-Sp-5R!H-1R!H", + group = +""" +1 *1 C u0 {2,D} {5,D} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} +5 C u0 r0 {1,D} +6 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3896, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-2C-R", + group = +""" +1 *1 C u0 {2,D} {5,D} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} +5 C u0 r0 {1,D} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3897, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R", + group = +""" +1 *1 C u0 {2,D} {5,D} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {8,[S,D,T,B,Q]} +4 C u0 {3,S} +5 C u0 r0 {1,D} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3898, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R_Ext-3R-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,D} +2 *2 C u0 r0 {1,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C u0 r0 {3,S} +5 C u0 r0 {1,D} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3899, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-3R-R", + group = +""" +1 *1 C u0 {2,D} {5,D} +2 *2 C u0 {1,D} {6,S} +3 *3 C u1 r0 {4,S} {7,[S,D,T,B,Q]} +4 C u0 {3,S} +5 C u0 r0 {1,D} +6 C u0 {2,S} +7 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3900, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-3R-R_Ext-3R-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,D} +2 *2 C u0 r0 {1,D} {6,S} +3 *3 C u1 r0 {4,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 C u0 r0 {3,S} +5 C u0 r0 {1,D} +6 C u0 r0 {2,S} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3901, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3902, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_Sp-5R!H-1R!H", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3903, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_Sp-5R!H-1R!H_Ext-3C-R", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,S} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3904, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,S} {7,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3905, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Ext-3C-R", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 C u0 {3,S} +5 C u0 r0 {1,S} {7,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux {5,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3906, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-7R!H=5R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {7,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux {5,D} +8 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3907, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-7R!H=5R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {7,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux {5,T} +8 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3908, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Sp-7R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,S} {7,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3909, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_N-Sp-7R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,S} {7,T} +6 C ux {3,[S,D,T,B,Q]} +7 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 3910, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_Sp-5R!H-1R!H_Ext-3C-R_Ext-3C-R", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,S} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3911, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_Sp-5R!H-1R!H_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} +5 C u0 r0 {1,S} {6,[S,D,T,B,Q]} +6 C u0 {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3912, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-6R!H=5R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {6,D} +6 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 3913, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {6,[S,T,Q,B]} +6 C u0 r0 {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3914, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_N-Sp-5R!H-1R!H", + group = +""" +1 *1 C u0 {2,D} {5,D} +2 *2 C u0 {1,D} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} +5 C u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 3915, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_N-Sp-5R!H-1R!H_Ext-3C-R", + group = +""" +1 *1 C u0 {2,D} {5,D} +2 *2 C u0 {1,D} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} +4 C u0 {3,S} +5 C u0 r0 {1,D} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3916, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_N-Sp-5R!H-1R!H_Ext-3C-R_Ext-3C-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,D} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} +5 C u0 r0 {1,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3917, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_N-3R->C", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} +3 *3 O u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3918, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_N-2R!H->C", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 S u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 R!H ux r0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3919, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 S u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 R!H ux r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3920, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H_5R!H->O", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 S u0 r0 {1,D} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 O u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3921, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H_N-5R!H->O", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 S u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 [C,S] ux r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3922, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H_N-5R!H->O_Ext-3R-R", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 S u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 [C,S] ux r0 {1,S} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3923, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H_N-5R!H->O_Ext-3R-R_6R!H->C", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 S u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 [C,S] ux r0 {1,S} +6 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3924, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H_N-5R!H->O_Ext-3R-R_6R!H->C_5CS->C", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 S u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,S} +6 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3925, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H_N-5R!H->O_Ext-3R-R_6R!H->C_N-5CS->C", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 S u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 S ux r0 {1,S} +6 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3926, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H_N-5R!H->O_Ext-3R-R_N-6R!H->C", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 S u0 r0 {1,D} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} +5 [C,S] u0 r0 {1,S} +6 [O,Si,S,N,P,F,I,Br,Cl] u0 r0 {3,S} +""", + kinetics = None, +) + +entry( + index = 3927, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_N-2R!H->C_N-Sp-5R!H-1R!H", + group = +""" +1 *1 C u0 {2,D} {5,D} +2 *2 S u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 R!H ux r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 3928, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H", + group = +""" +1 *1 C u0 {2,T} {5,S} +2 *2 C u0 {1,T} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} +5 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3929, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,T} {5,S} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} +5 C u0 r0 {1,S} +6 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3930, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,T} {5,S} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} +5 C u0 r0 {1,S} +6 C ux {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C u0 {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3931, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,T} {5,S} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} +5 C u0 r0 {1,S} +6 C ux {2,[S,D,T,B,Q]} {7,D} +7 C u0 {6,D} +""", + kinetics = None, +) + +entry( + index = 3932, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,T} {5,S} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} +5 C u0 r0 {1,S} {8,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,D} +7 C u0 {6,D} +8 C u0 {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3933, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H", + group = +""" +1 *1 C u0 {2,T} {5,S} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} +5 C u0 r0 {1,S} {8,D} +6 C ux {2,[S,D,T,B,Q]} {7,D} +7 C u0 {6,D} +8 C u0 {5,D} +""", + kinetics = None, +) + +entry( + index = 3934, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_Ext-3R-R", + group = +""" +1 *1 C u0 {2,T} {5,S} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {9,[S,D,T,B,Q]} +4 C u0 {3,S} +5 C u0 r0 {1,S} {8,D} +6 C ux {2,[S,D,T,B,Q]} {7,D} +7 C u0 {6,D} +8 C u0 {5,D} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3935, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_Ext-3R-R_Ext-3R-R", + group = +""" +1 *1 C u0 r0 {2,T} {5,S} +2 *2 C u0 r0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {8,D} +6 C ux {2,[S,D,T,B,Q]} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {5,D} +9 R!H ux {3,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3936, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H", + group = +""" +1 *1 C u0 {2,T} {5,S} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} +5 C u0 r0 {1,S} {8,[S,T,Q,B]} +6 C ux {2,[S,D,T,B,Q]} {7,D} +7 C u0 {6,D} +8 C u0 {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3937, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_Ext-3R-R", + group = +""" +1 *1 C u0 {2,T} {5,S} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {9,[S,D,T,B,Q]} +4 C u0 {3,S} +5 C u0 r0 {1,S} {8,T} +6 C ux {2,[S,D,T,B,Q]} {7,D} +7 C u0 {6,D} +8 C u0 {5,T} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3938, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_Ext-3R-R_Ext-3R-R", + group = +""" +1 *1 C u0 r0 {2,T} {5,S} +2 *2 C u0 r0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {8,T} +6 C ux {2,[S,D,T,B,Q]} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {5,T} +9 R!H ux {3,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3939, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-3R-R", + group = +""" +1 *1 C u0 {2,T} {5,S} +2 *2 C u0 {1,T} {6,S} +3 *3 C u1 r0 {4,S} {8,[S,D,T,B,Q]} +4 C u0 {3,S} +5 C u0 r0 {1,S} +6 C u0 {2,S} {7,D} +7 C u0 {6,D} +8 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3940, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-3R-R_Ext-3R-R", + group = +""" +1 *1 C u0 r0 {2,T} {5,S} +2 *2 C u0 r0 {1,T} {6,S} +3 *3 C u1 r0 {4,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} +6 C u0 r0 {2,S} {7,D} +7 C u0 r0 {6,D} +8 R!H ux {3,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3941, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,T} {5,S} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} +5 C u0 r0 {1,S} +6 C ux {2,[S,D,T,B,Q]} {7,[S,T,Q,B]} +7 C u0 {6,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3942, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,T} {5,S} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} +5 C u0 r0 {1,S} {8,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,T} +7 C u0 {6,T} +8 C u0 {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3943, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H", + group = +""" +1 *1 C u0 {2,T} {5,S} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} +5 C u0 r0 {1,S} {8,D} +6 C ux {2,[S,D,T,B,Q]} {7,T} +7 C u0 {6,T} +8 C u0 {5,D} +""", + kinetics = None, +) + +entry( + index = 3944, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_Ext-3R-R", + group = +""" +1 *1 C u0 {2,T} {5,S} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {9,[S,D,T,B,Q]} +4 C u0 {3,S} +5 C u0 r0 {1,S} {8,D} +6 C ux {2,[S,D,T,B,Q]} {7,T} +7 C u0 {6,T} +8 C u0 {5,D} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3945, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_Ext-3R-R_Ext-3R-R", + group = +""" +1 *1 C u0 r0 {2,T} {5,S} +2 *2 C u0 r0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {8,D} +6 C ux {2,[S,D,T,B,Q]} {7,T} +7 C u0 r0 {6,T} +8 C u0 r0 {5,D} +9 R!H ux {3,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3946, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H", + group = +""" +1 *1 C u0 {2,T} {5,S} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} +5 C u0 r0 {1,S} {8,[S,T,Q,B]} +6 C ux {2,[S,D,T,B,Q]} {7,T} +7 C u0 {6,T} +8 C u0 {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3947, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_Ext-3R-R", + group = +""" +1 *1 C u0 {2,T} {5,S} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {9,[S,D,T,B,Q]} +4 C u0 {3,S} +5 C u0 r0 {1,S} {8,T} +6 C ux {2,[S,D,T,B,Q]} {7,T} +7 C u0 {6,T} +8 C u0 {5,T} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3948, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_Ext-3R-R_Ext-3R-R", + group = +""" +1 *1 C u0 r0 {2,T} {5,S} +2 *2 C u0 r0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {8,T} +6 C ux {2,[S,D,T,B,Q]} {7,T} +7 C u0 r0 {6,T} +8 C u0 r0 {5,T} +9 R!H ux {3,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3949, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-3R-R", + group = +""" +1 *1 C u0 {2,T} {5,S} +2 *2 C u0 {1,T} {6,S} +3 *3 C u1 r0 {4,S} {8,[S,D,T,B,Q]} +4 C u0 {3,S} +5 C u0 r0 {1,S} +6 C u0 {2,S} {7,T} +7 C u0 {6,T} +8 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3950, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-3R-R_Ext-3R-R", + group = +""" +1 *1 C u0 r0 {2,T} {5,S} +2 *2 C u0 r0 {1,T} {6,S} +3 *3 C u1 r0 {4,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} +6 C u0 r0 {2,S} {7,T} +7 C u0 r0 {6,T} +8 R!H ux {3,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3951, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,T} {5,S} +2 *2 C u0 {1,T} {6,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} +5 C u0 r0 {1,S} {7,[S,D,T,B,Q]} +6 C u0 {2,S} +7 C u0 {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3952, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-7R!H=5R!H", + group = +""" +1 *1 C u0 {2,T} {5,S} +2 *2 C u0 {1,T} {6,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} +5 C u0 r0 {1,S} {7,D} +6 C u0 {2,S} +7 C u0 {5,D} +""", + kinetics = None, +) + +entry( + index = 3953, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-7R!H=5R!H_Ext-3R-R", + group = +""" +1 *1 C u0 {2,T} {5,S} +2 *2 C u0 {1,T} {6,S} +3 *3 C u1 r0 {4,S} {8,[S,D,T,B,Q]} +4 C u0 {3,S} +5 C u0 r0 {1,S} {7,D} +6 C u0 {2,S} +7 C u0 {5,D} +8 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3954, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-7R!H=5R!H_Ext-3R-R_Ext-3R-R", + group = +""" +1 *1 C u0 r0 {2,T} {5,S} +2 *2 C u0 r0 {1,T} {6,S} +3 *3 C u1 r0 {4,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {7,D} +6 C u0 r0 {2,S} +7 C u0 r0 {5,D} +8 R!H ux {3,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3955, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-7R!H=5R!H", + group = +""" +1 *1 C u0 {2,T} {5,S} +2 *2 C u0 {1,T} {6,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} +5 C u0 r0 {1,S} {7,[S,T,Q,B]} +6 C u0 {2,S} +7 C u0 {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3956, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-7R!H=5R!H_Ext-3R-R", + group = +""" +1 *1 C u0 {2,T} {5,S} +2 *2 C u0 {1,T} {6,S} +3 *3 C u1 r0 {4,S} {8,[S,D,T,B,Q]} +4 C u0 {3,S} +5 C u0 r0 {1,S} {7,T} +6 C u0 {2,S} +7 C u0 {5,T} +8 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3957, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-7R!H=5R!H_Ext-3R-R_Ext-3R-R", + group = +""" +1 *1 C u0 r0 {2,T} {5,S} +2 *2 C u0 r0 {1,T} {6,S} +3 *3 C u1 r0 {4,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {7,T} +6 C u0 r0 {2,S} +7 C u0 r0 {5,T} +8 R!H ux {3,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3958, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-3R-R", + group = +""" +1 *1 C u0 {2,T} {5,S} +2 *2 C u0 {1,T} {6,S} +3 *3 C u1 r0 {4,S} {7,[S,D,T,B,Q]} +4 C u0 {3,S} +5 C u0 r0 {1,S} +6 C u0 {2,S} +7 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3959, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-3R-R_Ext-3R-R", + group = +""" +1 *1 C u0 r0 {2,T} {5,S} +2 *2 C u0 r0 {1,T} {6,S} +3 *3 C u1 r0 {4,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} +6 C u0 r0 {2,S} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3960, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,T} {5,S} +2 *2 C u0 {1,T} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} +5 C u0 r0 {1,S} {6,[S,D,T,B,Q]} +6 C u0 {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3961, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-5R!H-R_Sp-6R!H=5R!H", + group = +""" +1 *1 C u0 {2,T} {5,S} +2 *2 C u0 {1,T} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} +5 C u0 r0 {1,S} {6,D} +6 C u0 {5,D} +""", + kinetics = None, +) + +entry( + index = 3962, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3R-R", + group = +""" +1 *1 C u0 {2,T} {5,S} +2 *2 C u0 {1,T} +3 *3 C u1 r0 {4,S} {7,[S,D,T,B,Q]} +4 C u0 {3,S} +5 C u0 r0 {1,S} {6,D} +6 C u0 {5,D} +7 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3963, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3R-R_Ext-3R-R", + group = +""" +1 *1 C u0 r0 {2,T} {5,S} +2 *2 C u0 r0 {1,T} +3 *3 C u1 r0 {4,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {6,D} +6 C u0 r0 {5,D} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3964, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H", + group = +""" +1 *1 C u0 {2,T} {5,S} +2 *2 C u0 {1,T} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} +5 C u0 r0 {1,S} {6,[S,T,Q,B]} +6 C u0 {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3965, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-3R-R", + group = +""" +1 *1 C u0 {2,T} {5,S} +2 *2 C u0 {1,T} +3 *3 C u1 r0 {4,S} {7,[S,D,T,B,Q]} +4 C u0 {3,S} +5 C u0 r0 {1,S} {6,T} +6 C u0 {5,T} +7 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3966, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-3R-R_Ext-3R-R", + group = +""" +1 *1 C u0 r0 {2,T} {5,S} +2 *2 C u0 r0 {1,T} +3 *3 C u1 r0 {4,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {6,T} +6 C u0 r0 {5,T} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3967, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-3R-R", + group = +""" +1 *1 C u0 {2,T} {5,S} +2 *2 C u0 {1,T} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} +4 C u0 {3,S} +5 C u0 r0 {1,S} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3968, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-3R-R_Ext-3R-R", + group = +""" +1 *1 C u0 r0 {2,T} {5,S} +2 *2 C u0 r0 {1,T} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3969, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_2R!H->S", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 S u0 {1,[D,T,B]} +3 *3 R u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +""", + kinetics = None, +) + +entry( + index = 3970, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_2R!H->S_Ext-3R-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 S u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {5,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3971, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_2R!H->S_Ext-3R-R_Ext-3R-R", + group = +""" +1 *1 C u0 r0 {2,[D,T,B]} +2 *2 S u0 r0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3972, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_2R!H->S_3R->C", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 S u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +""", + kinetics = None, +) + +entry( + index = 3973, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_2R!H->S_N-3R->C", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 S u0 {1,[D,T,B]} +3 *3 S u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +""", + kinetics = None, +) + +entry( + index = 3974, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S", + group = +""" +1 *1 R!H u0 {2,[D,T,B]} +2 *2 [O,C] u0 {1,[D,T,B]} +3 *3 R u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +""", + kinetics = None, +) + +entry( + index = 3975, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 [O,C] u0 {1,[D,T,B]} +3 *3 R u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +""", + kinetics = None, +) + +entry( + index = 3976, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 [O,C] u0 {1,[D,T,B]} +3 *3 R u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +""", + kinetics = None, +) + +entry( + index = 3977, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3978, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 C ux {2,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3979, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 C ux {2,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 C ux {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3980, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Ext-6R!H-R_5R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {5,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} +5 C ux r1 {2,S} {6,B} +6 C u0 {5,B} {7,B} +7 C ux {6,B} +""", + kinetics = None, +) + +entry( + index = 3981, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Ext-6R!H-R_5R!H-inRing_Ext-2CO-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {5,S} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} +5 C ux r1 {2,S} {6,B} +6 C u0 {5,B} {7,B} +7 C ux {6,B} +8 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3982, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Ext-6R!H-R_5R!H-inRing_Ext-2CO-R_Ext-3R-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {5,S} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {9,[S,D,T,B,Q]} +4 C u0 {3,S} +5 C ux r1 {2,S} {6,B} +6 C u0 {5,B} {7,B} +7 C ux {6,B} +8 C ux {2,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3983, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Ext-6R!H-R_5R!H-inRing_Ext-2CO-R_Ext-3R-R_Ext-3R-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {5,S} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C u0 r0 {3,S} +5 C ux r1 {2,S} {6,B} +6 C u0 r1 {5,B} {7,B} +7 C ux r1 {6,B} +8 C ux {2,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3984, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Ext-6R!H-R_5R!H-inRing_Ext-3R-R", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {5,S} +3 *3 C u1 r0 {4,S} {8,[S,D,T,B,Q]} +4 C u0 {3,S} +5 C u0 r1 {2,S} {6,B} +6 C u0 {5,B} {7,B} +7 C u0 {6,B} +8 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3985, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Ext-6R!H-R_5R!H-inRing_Ext-3R-R_Ext-3R-R", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {5,S} +3 *3 C u1 r0 {4,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C u0 r0 {3,S} +5 C u0 r1 {2,S} {6,B} +6 C u0 r1 {5,B} {7,B} +7 C u0 r1 {6,B} +8 R!H ux {3,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3986, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Ext-6R!H-R_N-5R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 C u0 r0 {2,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 C ux {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C u0 {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3987, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 C ux {2,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3988, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-2CO-R", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 C ux {2,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 C ux {5,[S,D,T,B,Q]} +7 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3989, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-2CO-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {5,[S,D,T,B,Q]} {7,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 C ux {2,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 C ux {5,[S,D,T,B,Q]} +7 C u0 {2,S} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3990, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-2CO-R_Ext-7R!H-R_Ext-3R-R", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {5,[S,D,T,B,Q]} {7,S} +3 *3 C u[1,2,3,4] r0 {4,S} {9,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {2,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 C ux {5,[S,D,T,B,Q]} +7 C u0 {2,S} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3991, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-2CO-R_Ext-7R!H-R_Ext-3R-R_Ext-3R-R", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {5,[S,D,T,B,Q]} {7,S} +3 *3 C u[1,2,3,4] r0 {4,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux r0 {2,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 C ux r0 {5,[S,D,T,B,Q]} +7 C u0 r0 {2,S} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3992, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-2CO-R_Ext-3R-R", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} {8,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {2,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 C ux {5,[S,D,T,B,Q]} +7 C ux {2,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3993, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-2CO-R_Ext-3R-R_Ext-3R-R", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {2,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 C ux {5,[S,D,T,B,Q]} +7 C ux {2,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3994, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-2CO-R_Ext-3R-R_Ext-3R-R_Sp-6R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {2,[S,D,T,B,Q]} {6,D} +6 C ux {5,D} +7 C ux {2,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3995, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-2CO-R_Ext-3R-R_Ext-3R-R_N-Sp-6R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {2,[S,D,T,B,Q]} {6,T} +6 C ux {5,T} +7 C ux {2,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3996, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-2CO-R_Ext-3R-R_Sp-6R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} {8,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {2,[S,D,T,B,Q]} {6,D} +6 C ux {5,D} +7 C ux {2,[S,D,T,B,Q]} +8 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3997, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-2CO-R_Ext-3R-R_N-Sp-6R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} {8,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {2,[S,D,T,B,Q]} {6,T} +6 C ux {5,T} +7 C ux {2,[S,D,T,B,Q]} +8 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3998, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-2CO-R_Sp-6R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 C ux {2,[S,D,T,B,Q]} {6,D} +6 C ux {5,D} +7 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3999, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-2CO-R_N-Sp-6R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 C ux {2,[S,D,T,B,Q]} {6,T} +6 C ux {5,T} +7 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4000, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-3R-R", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} {7,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {2,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 C ux {5,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4001, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-3R-R_Ext-3R-R", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {2,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 C ux {5,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4002, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-3R-R_Ext-3R-R_Sp-6R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {2,[S,D,T,B,Q]} {6,D} +6 C ux {5,D} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4003, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-3R-R_Ext-3R-R_N-Sp-6R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {2,[S,D,T,B,Q]} {6,T} +6 C ux {5,T} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4004, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-3R-R_Sp-6R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} {7,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {2,[S,D,T,B,Q]} {6,D} +6 C ux {5,D} +7 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4005, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-3R-R_N-Sp-6R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} {7,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {2,[S,D,T,B,Q]} {6,T} +6 C ux {5,T} +7 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4006, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Sp-6R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 C ux {2,[S,D,T,B,Q]} {6,D} +6 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 4007, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_N-Sp-6R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 C ux {2,[S,D,T,B,Q]} {6,T} +6 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 4008, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_N-Sp-2CO=1C", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} {5,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} +5 C u0 {2,S} {6,[S,D,T,B,Q]} +6 C u0 {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4009, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_N-Sp-2CO=1C_Sp-6R!H=5R!H", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} {5,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} +5 C u0 {2,S} {6,D} +6 C u0 {5,D} +""", + kinetics = None, +) + +entry( + index = 4010, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_N-Sp-2CO=1C_Sp-6R!H=5R!H_Ext-3R-R", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} {5,S} +3 *3 C u1 r0 {4,S} {7,[S,D,T,B,Q]} +4 C u0 {3,S} +5 C u0 {2,S} {6,D} +6 C u0 {5,D} +7 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4011, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_N-Sp-2CO=1C_Sp-6R!H=5R!H_Ext-3R-R_Ext-3R-R", + group = +""" +1 *1 C u0 r0 {2,T} +2 *2 C u0 r0 {1,T} {5,S} +3 *3 C u1 r0 {4,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 C u0 r0 {3,S} +5 C u0 {2,S} {6,D} +6 C u0 {5,D} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4012, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_N-Sp-2CO=1C_N-Sp-6R!H=5R!H", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} {5,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} +5 C u0 {2,S} {6,T} +6 C u0 {5,T} +""", + kinetics = None, +) + +entry( + index = 4013, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_N-Sp-2CO=1C_N-Sp-6R!H=5R!H_Ext-3R-R", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} {5,S} +3 *3 C u1 r0 {4,S} {7,[S,D,T,B,Q]} +4 C u0 {3,S} +5 C u0 {2,S} {6,T} +6 C u0 {5,T} +7 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4014, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_N-Sp-2CO=1C_N-Sp-6R!H=5R!H_Ext-3R-R_Ext-3R-R", + group = +""" +1 *1 C u0 r0 {2,T} +2 *2 C u0 r0 {1,T} {5,S} +3 *3 C u1 r0 {4,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 C u0 r0 {3,S} +5 C u0 {2,S} {6,T} +6 C u0 {5,T} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4015, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Sp-2CO=1C", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4016, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Sp-2CO=1C_5R!H->C", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4017, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Sp-2CO=1C_5R!H->C_Sp-5C-2CO", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {5,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 C ux {2,S} +""", + kinetics = None, +) + +entry( + index = 4018, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Sp-2CO=1C_5R!H->C_Sp-5C-2CO_Ext-3R-R", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {5,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} +4 C u0 {3,S} +5 C u0 {2,S} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4019, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Sp-2CO=1C_5R!H->C_Sp-5C-2CO_Ext-3R-R_Ext-2CO-R", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {5,S} {7,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} +4 C u0 {3,S} +5 C u0 {2,S} +6 R!H ux {3,[S,D,T,B,Q]} +7 C u0 {2,S} +""", + kinetics = None, +) + +entry( + index = 4020, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Sp-2CO=1C_5R!H->C_Sp-5C-2CO_Ext-3R-R_Ext-2CO-R_Ext-3R-R", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {5,S} {7,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 C u0 r0 {3,S} +5 C u0 r0 {2,S} +6 R!H ux {3,[S,D,T,B,Q]} +7 C u0 r0 {2,S} +8 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4021, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Sp-2CO=1C_5R!H->C_Sp-5C-2CO_Ext-3R-R_Ext-3R-R", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {5,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} +5 C u0 r0 {2,S} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4022, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Sp-2CO=1C_5R!H->C_Sp-5C-2CO_Ext-2CO-R", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 C ux {2,S} +6 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4023, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Sp-2CO=1C_5R!H->C_N-Sp-5C-2CO", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {5,D} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 C ux {2,D} +""", + kinetics = None, +) + +entry( + index = 4024, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Sp-2CO=1C_5R!H->C_N-Sp-5C-2CO_Ext-3R-R", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {5,D} +3 *3 C u[1,2,3,4] r0 {4,S} {6,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {2,D} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4025, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Sp-2CO=1C_5R!H->C_N-Sp-5C-2CO_Ext-3R-R_Ext-3R-R", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {5,D} +3 *3 C u[1,2,3,4] r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {2,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4026, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Sp-2CO=1C_N-5R!H->C", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {5,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 O u0 {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4027, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_N-Sp-2CO=1C", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4028, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_N-Sp-2CO=1C_Ext-3R-R", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} {6,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {2,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4029, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_N-Sp-2CO=1C_Ext-3R-R_Ext-3R-R", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux r0 {2,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4030, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_3R->S", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 [O,C] u0 {1,[D,T,B]} +3 *3 S u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +""", + kinetics = None, +) + +entry( + index = 4031, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_N-3R->S", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 [O,C] u0 {1,[D,T,B]} +3 *3 [C,O] u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +""", + kinetics = None, +) + +entry( + index = 4032, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_N-3R->S_Sp-2CO=1C", + group = +""" +1 *1 C u0 {2,D} +2 *2 [O,C] u0 {1,D} +3 *3 [C,O] u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +""", + kinetics = None, +) + +entry( + index = 4033, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_N-3R->S_Sp-2CO=1C_3CO->C", + group = +""" +1 *1 C u0 {2,D} +2 *2 [O,C] u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +""", + kinetics = None, +) + +entry( + index = 4034, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_N-3R->S_Sp-2CO=1C_3CO->C_Ext-3C-R", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4035, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_N-3R->S_Sp-2CO=1C_3CO->C_Ext-3C-R_Ext-3C-R", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4036, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_N-3R->S_Sp-2CO=1C_3CO->C_2CO->O", + group = +""" +1 *1 C u0 {2,D} +2 *2 O u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +""", + kinetics = None, +) + +entry( + index = 4037, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_N-3R->S_Sp-2CO=1C_3CO->C_N-2CO->O", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +""", + kinetics = None, +) + +entry( + index = 4038, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_N-3R->S_Sp-2CO=1C_N-3CO->C", + group = +""" +1 *1 C u0 {2,D} +2 *2 [O,C] u0 {1,D} +3 *3 O u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +""", + kinetics = None, +) + +entry( + index = 4039, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_N-3R->S_N-Sp-2CO=1C", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} +3 *3 [C,O] u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +""", + kinetics = None, +) + +entry( + index = 4040, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_N-3R->S_N-Sp-2CO=1C_3CO->C", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} +""", + kinetics = None, +) + +entry( + index = 4041, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_N-3R->S_N-Sp-2CO=1C_3CO->C_Ext-3C-R", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} +3 *3 C u1 r0 {4,S} {5,[S,D,T,B,Q]} +4 C u0 {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4042, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_N-3R->S_N-Sp-2CO=1C_3CO->C_Ext-3C-R_Ext-3C-R", + group = +""" +1 *1 C u0 r0 {2,T} +2 *2 C u0 r0 {1,T} +3 *3 C u1 r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C u0 r0 {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4043, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_N-3R->S_N-Sp-2CO=1C_N-3CO->C", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} +3 *3 O u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +""", + kinetics = None, +) + +entry( + index = 4044, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_N-Sp-4C-3R", + group = +""" +1 *1 C u0 r0 {2,[D,T,B]} +2 *2 [O,C] u0 r0 {1,[D,T,B]} +3 *3 R u[1,2,3,4] r0 {4,T} +4 C ux {3,T} +""", + kinetics = None, +) + +entry( + index = 4045, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_N-1R!H->C", + group = +""" +1 *1 S u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} +3 *3 R u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +""", + kinetics = None, +) + +entry( + index = 4046, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_N-1R!H->C_3R->C", + group = +""" +1 *1 S u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +""", + kinetics = None, +) + +entry( + index = 4047, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_N-1R!H->C_3R->C_Ext-3C-R", + group = +""" +1 *1 S u0 {2,D} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4048, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_N-1R!H->C_3R->C_Ext-3C-R_Ext-3C-R", + group = +""" +1 *1 S u0 r0 {2,D} +2 *2 C u0 r0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4049, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_N-1R!H->C_3R->C_Ext-2CO-R", + group = +""" +1 *1 S u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4050, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_N-1R!H->C_N-3R->C", + group = +""" +1 *1 S u0 r0 {2,D} +2 *2 C u0 r0 {1,D} +3 *3 [O,S] u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +""", + kinetics = None, +) + +entry( + index = 4051, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C", + group = +""" +1 *1 R!H u0 {2,[D,T,B]} +2 *2 R!H u0 {1,[D,T,B]} +3 *3 R u[1,2,3,4] r0 {4,[S,T]} +4 [O,S] ux {3,[S,T]} +""", + kinetics = None, +) + +entry( + index = 4052, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_2R!H->O", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 O u0 {1,[D,T,B]} +3 *3 O u[1,2,3,4] r0 {4,S} +4 O ux {3,S} +""", + kinetics = None, +) + +entry( + index = 4053, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_2R!H->O_Ext-1R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 O u0 {1,[D,T,B]} +3 *3 O u[1,2,3,4] r0 {4,S} +4 O ux {3,S} +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4054, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_2R!H->O_Ext-1R!H-R_Ext-1R!H-R", + group = +""" +1 *1 C u0 r0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 O u0 r0 {1,[D,T,B]} +3 *3 O u[1,2,3,4] r0 {4,S} +4 O ux r0 {3,S} +5 R!H ux {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4055, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O", + group = +""" +1 *1 R!H u0 {2,[D,T,B]} +2 *2 [C,S,N] u0 {1,[D,T,B]} +3 *3 R u[1,2,3,4] r0 {4,[S,T]} +4 [O,S] ux {3,[S,T]} +""", + kinetics = None, +) + +entry( + index = 4056, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0", + group = +""" +1 *1 R!H u0 {2,[D,T,B]} +2 *2 [C,S,N] u0 {1,[D,T,B]} +3 *3 R u[1,2,3,4] r0 {4,[S,T]} +4 [O,S] u0 {3,[S,T]} +""", + kinetics = None, +) + +entry( + index = 4057, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_3R->S", + group = +""" +1 *1 R!H u0 {2,[D,T,B]} +2 *2 [C,S,N] u0 {1,[D,T,B]} +3 *3 S u[1,2,3,4] r0 {4,[S,T]} +4 S u0 {3,[S,T]} +""", + kinetics = None, +) + +entry( + index = 4058, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_3R->S_1R!H->C", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 [C,S,N] u0 {1,[D,T,B]} +3 *3 S u[1,2,3,4] r0 {4,S} +4 S u0 {3,S} +""", + kinetics = None, +) + +entry( + index = 4059, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_3R->S_1R!H->C_2CNS->C", + group = +""" +1 *1 C u0 r0 {2,[D,T,B]} +2 *2 C u0 r0 {1,[D,T,B]} +3 *3 S u[1,2,3,4] r0 {4,S} +4 S u0 r0 {3,S} +""", + kinetics = None, +) + +entry( + index = 4060, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_3R->S_1R!H->C_N-2CNS->C", + group = +""" +1 *1 C u0 r0 {2,[D,T,B]} +2 *2 S u0 r0 {1,[D,T,B]} +3 *3 S u[1,2,3,4] r0 {4,S} +4 S u0 r0 {3,S} +""", + kinetics = None, +) + +entry( + index = 4061, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_3R->S_N-1R!H->C", + group = +""" +1 *1 [S,N] u0 {2,D} +2 *2 [C,S,N] u0 {1,D} +3 *3 S u1 r0 {4,[S,T]} +4 S u0 {3,[S,T]} +""", + kinetics = None, +) + +entry( + index = 4062, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S", + group = +""" +1 *1 R!H u0 {2,[D,T,B]} +2 *2 [C,S,N] u0 {1,[D,T,B]} +3 *3 [C,O] u[1,2,3,4] r0 {4,[S,T]} +4 O u0 {3,[S,T]} +""", + kinetics = None, +) + +entry( + index = 4063, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 [C,S,N] u0 {1,[D,T,B]} +3 *3 [C,O] u[1,2,3,4] r0 {4,[S,T]} +4 O u0 {3,[S,T]} +""", + kinetics = None, +) + +entry( + index = 4064, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_Ext-2CNS-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {5,[S,D,T,B,Q]} +3 *3 [C,O] u[1,2,3,4] r0 {4,[S,T]} +4 O u0 {3,[S,T]} +5 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4065, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_Ext-2CNS-R_Ext-2CNS-R", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +3 *3 O u1 r0 {4,[S,T]} +4 O u0 {3,[S,T]} +5 R!H ux {2,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4066, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_Ext-2CNS-R_Ext-2CNS-R_Ext-1C-R", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +3 *3 O u1 r0 {4,[S,T]} +4 O u0 {3,[S,T]} +5 R!H ux {2,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4067, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_Ext-2CNS-R_Ext-2CNS-R_Ext-1C-R_Ext-1C-R", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +3 *3 O u1 r0 {4,[S,T]} +4 O u0 {3,[S,T]} +5 R!H ux {2,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4068, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_Ext-2CNS-R_3CO->C", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {5,S} +3 *3 C u1 r0 {4,S} +4 O u0 r0 {3,S} +5 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 4069, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_Ext-2CNS-R_N-3CO->C", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {5,[S,D,T,B,Q]} +3 *3 O u[1,2,3,4] r0 {4,[S,T]} +4 O u0 {3,[S,T]} +5 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4070, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_Ext-2CNS-R_N-3CO->C_Ext-1C-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {5,[S,D,T,B,Q]} +3 *3 O u[1,2,3,4] r0 {4,[S,T]} +4 O u0 {3,[S,T]} +5 C ux {2,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4071, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_Ext-2CNS-R_N-3CO->C_Ext-1C-R_Ext-1C-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {5,[S,D,T,B,Q]} +3 *3 O u[1,2,3,4] r0 {4,[S,T]} +4 O u0 {3,[S,T]} +5 C ux {2,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4072, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_2CNS->C", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} +3 *3 [C,O] u[1,2,3,4] r0 {4,[S,T]} +4 O u0 {3,[S,T]} +""", + kinetics = None, +) + +entry( + index = 4073, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_2CNS->C_Ext-1C-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 O u[1,2,3,4] r0 {4,[S,T]} +4 O u0 {3,[S,T]} +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4074, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_2CNS->C_Ext-1C-R_5R!H->C", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} +3 *3 O u1 r0 {4,S} +4 O u0 {3,S} +5 C ux {1,S} +""", + kinetics = None, +) + +entry( + index = 4075, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_2CNS->C_Ext-1C-R_5R!H->C_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} {6,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} +3 *3 O u1 r0 {4,S} +4 O u0 r0 {3,S} +5 C ux {1,S} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4076, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_2CNS->C_Ext-1C-R_N-5R!H->C", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 O u[1,2,3,4] r0 {4,[S,T]} +4 O u0 {3,[S,T]} +5 [O,Si,S,N,P,F,I,Br,Cl] u0 r0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4077, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_2CNS->C_3CO->C", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 O u0 {3,[S,T]} +""", + kinetics = None, +) + +entry( + index = 4078, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_2CNS->C_N-3CO->C", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} +3 *3 O u[1,2,3,4] r0 {4,[S,T]} +4 O u0 {3,[S,T]} +""", + kinetics = None, +) + +entry( + index = 4079, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_N-2CNS->C", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 N u0 {1,[D,T,B]} +3 *3 [C,O] u[1,2,3,4] r0 {4,[S,T]} +4 O u0 {3,[S,T]} +""", + kinetics = None, +) + +entry( + index = 4080, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_N-1R!H->C", + group = +""" +1 *1 [S,N] u0 {2,[D,T,B]} +2 *2 [C,S,N] u0 {1,[D,T,B]} +3 *3 [C,O] u1 r0 {4,[S,T]} +4 O u0 {3,[S,T]} +""", + kinetics = None, +) + +entry( + index = 4081, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_N-4OS-u0", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} +3 *3 O u[1,2,3,4] r0 {4,[S,T]} +4 O u1 {3,[S,T]} +""", + kinetics = None, +) + +entry( + index = 4082, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_N-4OS-u0_Ext-2CNS-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {5,S} +3 *3 O u1 r0 {4,[S,T]} +4 O u1 {3,[S,T]} +5 C u0 {2,S} +""", + kinetics = None, +) + +entry( + index = 4083, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_N-4OS-u0_Ext-2CNS-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {5,S} +3 *3 O u1 r0 {4,[S,T]} +4 O u1 {3,[S,T]} +5 C u0 r0 {2,S} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4084, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_N-4OS-u0_Ext-1R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 O u[1,2,3,4] r0 {4,[S,T]} +4 O u1 {3,[S,T]} +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4085, + label = "Root_N-3R-inRing_3R->C", + group = +""" +1 *1 R!H u0 {2,[D,T,B]} +2 *2 R!H u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 +""", + kinetics = None, +) + +entry( + index = 4086, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 R!H u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 +4 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4087, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 R!H u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 +4 R!H ux {1,[S,D,T,B,Q]} +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4088, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 R!H ux {1,[S,D,T,B,Q]} +5 R!H ux {1,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4089, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 R!H ux r1 {1,[S,D,T,B,Q]} +5 R!H ux {1,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4090, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r1 {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +5 C ux {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +7 C ux {4,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4091, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_6R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,S} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C u0 r1 {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +5 C u0 {1,S} +6 C ux r1 {2,[S,D,T,B,Q]} {9,B} +7 C ux {4,[S,D,T,B,Q]} {8,B} +8 C u0 {7,B} +9 C ux {6,B} +""", + kinetics = None, +) + +entry( + index = 4092, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,S} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C u0 r1 {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +5 C u0 r0 {1,S} +6 C ux r1 {2,[S,D,T,B,Q]} {9,B} +7 C ux r1 {4,[S,D,T,B,Q]} {8,B} +8 C u0 r1 {7,B} +9 C ux r1 {6,B} +10 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4093, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_N-6R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r1 {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +5 C ux {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +7 C ux {4,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4094, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r1 {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +5 C ux {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +7 C ux {4,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {6,[S,D,T,B,Q]} +10 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4095, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R_Ext-10R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {4,S} {5,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {6,S} {10,S} +3 *3 C u1 r0 +4 C ux r1 {1,S} {7,B} +5 C ux {1,[S,D,T,B,Q]} +6 C u0 r0 {2,S} {9,[S,D,T,B,Q]} +7 C u0 r1 {4,B} {8,[S,D,T,B,Q]} +8 C ux r1 {7,[S,D,T,B,Q]} +9 C u0 {6,[S,D,T,B,Q]} +10 C u0 r0 {2,S} {11,[S,D,T,B,Q]} +11 R!H ux {10,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4096, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R_Sp-9R!H=6R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r1 {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +5 C ux {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {9,D} +7 C ux r1 {4,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux r1 {7,[S,D,T,B,Q]} +9 C ux {6,D} +10 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4097, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R_N-Sp-9R!H=6R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r1 {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +5 C ux {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {9,T} +7 C ux r1 {4,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux r1 {7,[S,D,T,B,Q]} +9 C ux {6,T} +10 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4098, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_N-6R!H-inRing_Sp-9R!H=6R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r1 {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +5 C ux {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {9,D} +7 C ux r1 {4,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux r1 {7,[S,D,T,B,Q]} +9 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 4099, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-9R!H=6R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r1 {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +5 C ux {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {9,T} +7 C ux r1 {4,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux r1 {7,[S,D,T,B,Q]} +9 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 4100, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_1R!H-inRing", + group = +""" +1 *1 C u0 r1 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 R!H ux r1 {1,[S,D,T,B,Q]} +5 R!H ux {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4101, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_N-1R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 R!H ux r1 {1,[S,D,T,B,Q]} +5 R!H ux {1,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4102, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_N-1R!H-inRing_Ext-2R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u1 r0 +4 R!H ux r1 {1,[S,D,T,B,Q]} +5 R!H ux {1,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4103, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_N-1R!H-inRing_Sp-6R!H-2R!H", + group = +""" +1 *1 C u0 r0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,S} +3 *3 C u[1,2,3,4] r0 +4 R!H ux r1 {1,[S,D,T,B,Q]} +5 R!H ux {1,[S,D,T,B,Q]} +6 C ux {2,S} +""", + kinetics = None, +) + +entry( + index = 4104, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_N-1R!H-inRing_N-Sp-6R!H-2R!H", + group = +""" +1 *1 C u0 r0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,D} +3 *3 C u[1,2,3,4] r0 +4 R!H ux r1 {1,[S,D,T,B,Q]} +5 R!H ux {1,[S,D,T,B,Q]} +6 C ux {2,D} +""", + kinetics = None, +) + +entry( + index = 4105, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 R!H ux r0 {1,[S,D,T,B,Q]} +5 R!H ux {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4106, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 R!H ux r0 {1,[S,D,T,B,Q]} +5 R!H ux {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4107, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 R!H ux r0 {1,[S,D,T,B,Q]} +5 R!H ux {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4108, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} +5 C ux {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4109, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +5 C ux {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4110, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {4,S} {5,S} +2 *2 C u0 r0 {1,D} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +5 C u0 r0 {1,S} {11,[S,D,T,B,Q]} +6 C ux r1 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +10 C u0 r0 {4,[S,D,T,B,Q]} +11 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4111, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Sp-10R!H=4R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {10,D} +5 C ux {1,[S,D,T,B,Q]} +6 C ux r1 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {4,D} +""", + kinetics = None, +) + +entry( + index = 4112, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_N-Sp-10R!H=4R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {10,T} +5 C ux {1,[S,D,T,B,Q]} +6 C ux r1 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {4,T} +""", + kinetics = None, +) + +entry( + index = 4113, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_6R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} +5 C ux {1,[S,D,T,B,Q]} +6 C ux r1 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4114, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-4R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +5 C ux {1,[S,D,T,B,Q]} +6 C ux r1 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 C ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4115, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-4R!H-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +5 C ux {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +6 C ux r1 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 C u0 r0 {4,[S,D,T,B,Q]} +10 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4116, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-4R!H-R_Sp-9R!H=4R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {9,D} +5 C ux {1,[S,D,T,B,Q]} +6 C ux r1 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 C ux {4,D} +""", + kinetics = None, +) + +entry( + index = 4117, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-4R!H-R_N-Sp-9R!H=4R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {9,T} +5 C ux {1,[S,D,T,B,Q]} +6 C ux r1 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 C ux {4,T} +""", + kinetics = None, +) + +entry( + index = 4118, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_N-6R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 R!H ux r0 {1,[S,D,T,B,Q]} +5 R!H ux {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4119, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 R!H ux r0 {1,[S,D,T,B,Q]} +5 R!H ux {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4120, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} +5 C ux {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4121, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-4R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +5 C ux {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4122, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-4R!H-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {4,S} {5,S} +2 *2 C u0 r0 {1,D} {6,S} {8,S} +3 *3 C u1 r0 +4 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +5 C u0 r0 {1,S} {11,[S,D,T,B,Q]} +6 C u0 {2,S} {7,[S,D,T,B,Q]} +7 C u0 {6,[S,D,T,B,Q]} +8 C u0 r0 {2,S} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C u0 r0 {4,[S,D,T,B,Q]} +11 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4123, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-4R!H-R_Sp-10R!H=4R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {10,D} +5 C ux {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {4,D} +""", + kinetics = None, +) + +entry( + index = 4124, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-4R!H-R_N-Sp-10R!H=4R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {10,T} +5 C ux {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {4,T} +""", + kinetics = None, +) + +entry( + index = 4125, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +5 C ux {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} +9 C ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4126, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {9,D} +5 C ux {1,[S,D,T,B,Q]} {10,D} +6 C ux {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} +9 C ux {4,D} +10 C u0 {5,D} +""", + kinetics = None, +) + +entry( + index = 4127, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Ext-5R!H-R_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {9,D} +5 C ux {1,[S,D,T,B,Q]} {10,D} +6 C ux {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 C ux {2,[S,D,T,B,Q]} +9 C ux {4,D} +10 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 4128, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Ext-5R!H-R_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {9,D} +5 C ux {1,[S,D,T,B,Q]} {10,D} +6 C ux {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +8 C ux {2,[S,D,T,B,Q]} +9 C ux {4,D} +10 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 4129, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Sp-9R!H=4R!H", + group = +""" +1 *1 C u0 {2,D} {4,S} {5,S} +2 *2 C u0 {1,D} {6,S} {8,S} +3 *3 C u1 r0 +4 C u0 r0 {1,S} {9,D} +5 C u0 {1,S} +6 C u0 {2,S} {7,[S,D,T,B,Q]} +7 C u0 {6,[S,D,T,B,Q]} +8 C u0 {2,S} +9 C u0 {4,D} +""", + kinetics = None, +) + +entry( + index = 4130, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Sp-9R!H=4R!H_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} {4,S} {5,S} +2 *2 C u0 r0 {1,D} {6,S} {8,S} +3 *3 C u1 r0 +4 C u0 r0 {1,S} {9,D} +5 C u0 r0 {1,S} +6 C u0 r0 {2,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {2,S} +9 C u0 r0 {4,D} +""", + kinetics = None, +) + +entry( + index = 4131, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Sp-9R!H=4R!H_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} {4,S} {5,S} +2 *2 C u0 r0 {1,D} {6,S} {8,S} +3 *3 C u1 r0 +4 C u0 r0 {1,S} {9,D} +5 C u0 r0 {1,S} +6 C u0 r0 {2,S} {7,T} +7 C u0 r0 {6,T} +8 C u0 r0 {2,S} +9 C u0 r0 {4,D} +""", + kinetics = None, +) + +entry( + index = 4132, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_N-Sp-9R!H=4R!H", + group = +""" +1 *1 C u0 {2,D} {4,S} {5,S} +2 *2 C u0 {1,D} {6,S} {8,S} +3 *3 C u1 r0 +4 C u0 r0 {1,S} {9,T} +5 C u0 {1,S} +6 C u0 {2,S} {7,[S,D,T,B,Q]} +7 C u0 {6,[S,D,T,B,Q]} +8 C u0 {2,S} +9 C u0 {4,T} +""", + kinetics = None, +) + +entry( + index = 4133, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_N-Sp-9R!H=4R!H_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} {4,S} {5,S} +2 *2 C u0 r0 {1,D} {6,S} {8,S} +3 *3 C u1 r0 +4 C u0 r0 {1,S} {9,T} +5 C u0 r0 {1,S} +6 C u0 r0 {2,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {2,S} +9 C u0 r0 {4,T} +""", + kinetics = None, +) + +entry( + index = 4134, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_N-Sp-9R!H=4R!H_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} {4,S} {5,S} +2 *2 C u0 r0 {1,D} {6,S} {8,S} +3 *3 C u1 r0 +4 C u0 r0 {1,S} {9,T} +5 C u0 r0 {1,S} +6 C u0 r0 {2,S} {7,T} +7 C u0 r0 {6,T} +8 C u0 r0 {2,S} +9 C u0 r0 {4,T} +""", + kinetics = None, +) + +entry( + index = 4135, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 R!H ux r0 {1,[S,D,T,B,Q]} +5 R!H ux {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4136, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 R!H ux r0 {1,[S,D,T,B,Q]} +5 R!H ux {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +8 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4137, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} +5 C ux {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 4138, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-4R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +5 C ux {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 C ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4139, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-4R!H-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +5 C ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,D} +7 C ux r0 {6,D} +8 C u0 r0 {4,[S,D,T,B,Q]} +9 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4140, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-4R!H-R_Sp-8R!H=4R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {8,D} +5 C ux {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 C ux {4,D} +""", + kinetics = None, +) + +entry( + index = 4141, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-4R!H-R_N-Sp-8R!H=4R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {8,T} +5 C ux {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 C ux {4,T} +""", + kinetics = None, +) + +entry( + index = 4142, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} +5 C ux {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,[S,T,B]} +7 C ux {6,[S,T,B]} +""", + kinetics = None, +) + +entry( + index = 4143, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-4R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +5 C ux {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,[S,T,B]} +7 C ux {6,[S,T,B]} +8 C ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4144, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-4R!H-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +5 C ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,T} +7 C ux r0 {6,T} +8 C u0 r0 {4,[S,D,T,B,Q]} +9 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4145, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-4R!H-R_Sp-8R!H=4R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {8,D} +5 C ux {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,[S,T,B]} +7 C ux {6,[S,T,B]} +8 C ux {4,D} +""", + kinetics = None, +) + +entry( + index = 4146, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-4R!H-R_N-Sp-8R!H=4R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {8,T} +5 C ux {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,[S,T,B]} +7 C ux {6,[S,T,B]} +8 C ux {4,T} +""", + kinetics = None, +) + +entry( + index = 4147, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,S} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} +5 C ux {1,[S,D,T,B,Q]} +6 C ux {2,S} +""", + kinetics = None, +) + +entry( + index = 4148, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,S} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} +5 C ux {1,[S,D,T,B,Q]} +6 C ux {2,S} +7 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4149, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-2R!H-R_Ext-4R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,S} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +5 C ux {1,[S,D,T,B,Q]} +6 C ux {2,S} +7 C ux {2,[S,D,T,B,Q]} +8 C ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4150, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-2R!H-R_Ext-4R!H-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {4,S} {5,S} +2 *2 C u0 r0 {1,D} {6,S} {7,[S,D,T,B,Q]} +3 *3 C u1 r0 +4 C u0 r0 {1,S} {8,[S,D,T,B,Q]} +5 C u0 r0 {1,S} {9,[S,D,T,B,Q]} +6 C u0 {2,S} +7 C ux {2,[S,D,T,B,Q]} +8 C u0 r0 {4,[S,D,T,B,Q]} +9 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4151, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-2R!H-R_Ext-4R!H-R_Sp-8R!H=4R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,S} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {8,D} +5 C ux {1,[S,D,T,B,Q]} +6 C ux {2,S} +7 C ux {2,[S,D,T,B,Q]} +8 C ux {4,D} +""", + kinetics = None, +) + +entry( + index = 4152, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-2R!H-R_Ext-4R!H-R_N-Sp-8R!H=4R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,S} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {8,T} +5 C ux {1,[S,D,T,B,Q]} +6 C ux {2,S} +7 C ux {2,[S,D,T,B,Q]} +8 C ux {4,T} +""", + kinetics = None, +) + +entry( + index = 4153, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-4R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,S} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +5 C ux {1,[S,D,T,B,Q]} +6 C ux {2,S} +7 C ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4154, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-4R!H-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {4,S} {5,S} +2 *2 C u0 r0 {1,D} {6,S} +3 *3 C u1 r0 +4 C u0 r0 {1,S} {7,[S,D,T,B,Q]} +5 C u0 r0 {1,S} {8,[S,D,T,B,Q]} +6 C u0 r0 {2,S} +7 C u0 r0 {4,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4155, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-4R!H-R_Sp-7R!H=4R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,S} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {7,D} +5 C ux {1,[S,D,T,B,Q]} +6 C ux {2,S} +7 C ux {4,D} +""", + kinetics = None, +) + +entry( + index = 4156, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,S} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {7,T} +5 C ux {1,[S,D,T,B,Q]} +6 C ux {2,S} +7 C ux {4,T} +""", + kinetics = None, +) + +entry( + index = 4157, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_N-Sp-6R!H-2R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,D} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} +5 C ux {1,[S,D,T,B,Q]} +6 C ux {2,D} +""", + kinetics = None, +) + +entry( + index = 4158, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_N-Sp-6R!H-2R!H_Ext-4R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,D} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +5 C ux {1,[S,D,T,B,Q]} +6 C ux {2,D} +7 C ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4159, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_N-Sp-6R!H-2R!H_Ext-4R!H-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,D} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +5 C ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 C ux r0 {2,D} +7 C u0 r0 {4,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4160, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_N-Sp-6R!H-2R!H_Ext-4R!H-R_Sp-7R!H=4R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,D} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {7,D} +5 C ux {1,[S,D,T,B,Q]} +6 C ux {2,D} +7 C ux {4,D} +""", + kinetics = None, +) + +entry( + index = 4161, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_N-Sp-6R!H-2R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,D} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {7,T} +5 C ux {1,[S,D,T,B,Q]} +6 C ux {2,D} +7 C ux {4,T} +""", + kinetics = None, +) + +entry( + index = 4162, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_2R!H->O", + group = +""" +1 *1 C u0 {2,D} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 O u0 r0 {1,D} +3 *3 C u[1,2,3,4] r0 +4 R!H ux {1,[S,D,T,B,Q]} +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4163, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-2R!H->O", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 [C,S] u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 +4 R!H ux {1,[S,D,T,B,Q]} +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4164, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-2R!H->O_1R!H-inRing", + group = +""" +1 *1 C u0 r1 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 [C,S] u0 {1,[D,T,B]} +3 *3 C u1 r0 +4 R!H ux {1,[S,D,T,B,Q]} +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4165, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-2R!H->O_N-1R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 [C,S] u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 +4 R!H ux {1,[S,D,T,B,Q]} +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4166, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-2R!H->O_N-1R!H-inRing_Ext-4R!H-R", + group = +""" +1 *1 C u0 r0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 +4 C ux {1,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 C ux {1,[S,D,T,B,Q]} +6 C ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4167, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-2R!H->O_N-1R!H-inRing_Ext-4R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 r0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 +4 C ux {1,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 C ux {1,[S,D,T,B,Q]} +6 C ux {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4168, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-2R!H->O_N-1R!H-inRing_Ext-4R!H-R_Ext-6R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {4,S} {5,S} +2 *2 C u0 r0 {1,D} +3 *3 C u[1,2,3,4] r0 +4 C ux r1 {1,S} {6,[S,D,T,B,Q]} +5 C ux {1,S} +6 C ux {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C u0 {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4169, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-2R!H->O_N-1R!H-inRing_Ext-4R!H-R_Ext-6R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u1 r0 +4 C u0 r0 {1,[S,D,T,B,Q]} {6,S} +5 C u0 {1,[S,D,T,B,Q]} +6 C u0 {4,S} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4170, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-2R!H->O_N-1R!H-inRing_Ext-4R!H-R_Ext-6R!H-R_N-4R!H-inRing_Ext-6R!H-R", + group = +""" +1 *1 C u0 r0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u1 r0 +4 C u0 r0 {1,[S,D,T,B,Q]} {6,S} +5 C u0 r0 {1,[S,D,T,B,Q]} +6 C u0 r0 {4,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4171, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-2R!H->O_N-1R!H-inRing_Ext-4R!H-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 r0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 C ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 C ux r0 {4,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4172, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-2R!H->O_N-1R!H-inRing_Ext-4R!H-R_Sp-6R!H=4R!H", + group = +""" +1 *1 C u0 r0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {6,D} +5 C ux {1,[S,D,T,B,Q]} +6 C ux r0 {4,D} +""", + kinetics = None, +) + +entry( + index = 4173, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-2R!H->O_N-1R!H-inRing_Ext-4R!H-R_N-Sp-6R!H=4R!H", + group = +""" +1 *1 C u0 r0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {6,[S,T,B]} +5 C ux {1,[S,D,T,B,Q]} +6 C ux r0 {4,[S,T,B]} +""", + kinetics = None, +) + +entry( + index = 4174, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-2R!H->O_N-1R!H-inRing_2CS->C", + group = +""" +1 *1 C u0 r0 {2,D} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 +4 R!H ux {1,[S,D,T,B,Q]} +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4175, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-2R!H->O_N-1R!H-inRing_N-2CS->C", + group = +""" +1 *1 C u0 r0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 S u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 +4 R!H ux {1,[S,D,T,B,Q]} +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4176, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H", + group = +""" +1 *1 C u0 {2,T} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,T} +3 *3 C u[1,2,3,4] r0 +4 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4177, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,T} {4,S} +2 *2 C u0 {1,T} {5,[S,D,T,B,Q]} +3 *3 C u1 r0 +4 C u0 {1,S} +5 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4178, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_Ext-2R!H-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,T} {4,S} +2 *2 C u0 {1,T} {5,[S,D,T,B,Q]} +3 *3 C u1 r0 +4 C u0 {1,S} +5 C ux {2,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 C u0 {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4179, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H", + group = +""" +1 *1 C u0 {2,T} {4,S} +2 *2 C u0 {1,T} {5,[S,D,T,B,Q]} +3 *3 C u1 r0 +4 C u0 {1,S} +5 C ux {2,[S,D,T,B,Q]} {6,D} +6 C u0 {5,D} +""", + kinetics = None, +) + +entry( + index = 4180, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-4R!H-R", + group = +""" +1 *1 C u0 {2,T} {4,S} +2 *2 C u0 {1,T} {5,[S,D,T,B,Q]} +3 *3 C u1 r0 +4 C u0 {1,S} {7,[S,D,T,B,Q]} +5 C ux {2,[S,D,T,B,Q]} {6,D} +6 C u0 {5,D} +7 C u0 {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4181, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-4R!H-R_Sp-7R!H=4R!H", + group = +""" +1 *1 C u0 r0 {2,T} {4,S} +2 *2 C u0 r0 {1,T} {5,[S,D,T,B,Q]} +3 *3 C u1 r0 +4 C u0 {1,S} {7,D} +5 C ux {2,[S,D,T,B,Q]} {6,D} +6 C u0 r0 {5,D} +7 C u0 r0 {4,D} +""", + kinetics = None, +) + +entry( + index = 4182, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H", + group = +""" +1 *1 C u0 r0 {2,T} {4,S} +2 *2 C u0 r0 {1,T} {5,[S,D,T,B,Q]} +3 *3 C u1 r0 +4 C u0 {1,S} {7,[S,T,Q,B]} +5 C ux {2,[S,D,T,B,Q]} {6,D} +6 C u0 r0 {5,D} +7 C u0 r0 {4,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 4183, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H", + group = +""" +1 *1 C u0 {2,T} {4,S} +2 *2 C u0 {1,T} {5,[S,D,T,B,Q]} +3 *3 C u1 r0 +4 C u0 {1,S} +5 C ux {2,[S,D,T,B,Q]} {6,[S,T,Q,B]} +6 C u0 {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 4184, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R", + group = +""" +1 *1 C u0 {2,T} {4,S} +2 *2 C u0 {1,T} {5,[S,D,T,B,Q]} +3 *3 C u1 r0 +4 C u0 {1,S} {7,[S,D,T,B,Q]} +5 C ux {2,[S,D,T,B,Q]} {6,T} +6 C u0 {5,T} +7 C u0 {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4185, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R_Sp-7R!H=4R!H", + group = +""" +1 *1 C u0 r0 {2,T} {4,S} +2 *2 C u0 r0 {1,T} {5,[S,D,T,B,Q]} +3 *3 C u1 r0 +4 C u0 {1,S} {7,D} +5 C ux {2,[S,D,T,B,Q]} {6,T} +6 C u0 r0 {5,T} +7 C u0 r0 {4,D} +""", + kinetics = None, +) + +entry( + index = 4186, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H", + group = +""" +1 *1 C u0 r0 {2,T} {4,S} +2 *2 C u0 r0 {1,T} {5,[S,D,T,B,Q]} +3 *3 C u1 r0 +4 C u0 {1,S} {7,[S,T,Q,B]} +5 C ux {2,[S,D,T,B,Q]} {6,T} +6 C u0 r0 {5,T} +7 C u0 r0 {4,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 4187, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_Ext-2R!H-R_Ext-4R!H-R", + group = +""" +1 *1 C u0 {2,T} {4,S} +2 *2 C u0 {1,T} {5,S} +3 *3 C u1 r0 +4 C u0 {1,S} {6,[S,D,T,B,Q]} +5 C u0 {2,S} +6 C u0 {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4188, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_Ext-2R!H-R_Ext-4R!H-R_Sp-6R!H=4R!H", + group = +""" +1 *1 C u0 r0 {2,T} {4,S} +2 *2 C u0 r0 {1,T} {5,S} +3 *3 C u1 r0 +4 C u0 r0 {1,S} {6,D} +5 C u0 r0 {2,S} +6 C u0 r0 {4,D} +""", + kinetics = None, +) + +entry( + index = 4189, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_Ext-2R!H-R_Ext-4R!H-R_N-Sp-6R!H=4R!H", + group = +""" +1 *1 C u0 r0 {2,T} {4,S} +2 *2 C u0 r0 {1,T} {5,S} +3 *3 C u1 r0 +4 C u0 r0 {1,S} {6,[S,T,Q,B]} +5 C u0 r0 {2,S} +6 C u0 r0 {4,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 4190, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,T} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,T} +3 *3 C u[1,2,3,4] r0 +4 C ux r1 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4191, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,T} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,T} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4192, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_N-4R!H-inRing_Ext-4R!H-R", + group = +""" +1 *1 C u0 {2,T} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,T} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C u0 {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4193, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_N-4R!H-inRing_Ext-4R!H-R_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,T} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,T} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {5,D} +5 C u0 r0 {4,D} +""", + kinetics = None, +) + +entry( + index = 4194, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_N-4R!H-inRing_Ext-4R!H-R_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,T} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,T} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {5,[S,T,Q,B]} +5 C u0 r0 {4,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 4195, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {4,[S,D,T,B,Q]} +2 *2 R!H u0 {1,[B,D]} +3 *3 C u[1,2,3,4] r0 +4 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4196, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux {1,[S,D,T,B,Q]} +5 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4197, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {5,S} +3 *3 C u[1,2,3,4] r0 +4 C ux {1,[S,D,T,B,Q]} +5 C ux {2,S} +""", + kinetics = None, +) + +entry( + index = 4198, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_Int-5R!H-4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {5,S} +3 *3 C u1 r0 +4 C ux {1,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {2,S} {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4199, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {5,S} +3 *3 C u[1,2,3,4] r0 +4 C ux r1 {1,[S,D,T,B,Q]} +5 C ux {2,S} +""", + kinetics = None, +) + +entry( + index = 4200, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {5,S} +3 *3 C u[1,2,3,4] r0 +4 C ux r1 {1,[S,D,T,B,Q]} {6,B} +5 C ux {2,S} +6 C ux {4,B} +""", + kinetics = None, +) + +entry( + index = 4201, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {5,S} +3 *3 C u[1,2,3,4] r0 +4 C ux r1 {1,[S,D,T,B,Q]} {6,B} +5 C ux {2,S} +6 C ux {4,B} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4202, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_5R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {5,S} +3 *3 C u[1,2,3,4] r0 +4 C ux r1 {1,[S,D,T,B,Q]} {6,B} +5 C ux r1 {2,S} +6 C u0 {4,B} {7,B} +7 C u0 {6,B} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C u0 {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4203, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_5R!H-inRing_1R!H-inRing", + group = +""" +1 *1 C u0 r1 {2,[B,D]} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {5,S} +3 *3 C u[1,2,3,4] r0 +4 C ux r1 {1,[S,D,T,B,Q]} {6,B} +5 C ux r1 {2,S} +6 C u0 {4,B} {7,B} +7 C u0 {6,B} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C u0 {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4204, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_5R!H-inRing_1R!H-inRing_Sp-2R!H-=1R!H", + group = +""" +1 *1 C u0 r1 {2,B} {4,[S,D,T,B,Q]} +2 *2 C u0 r1 {1,B} {5,S} +3 *3 C u[1,2,3,4] r0 +4 C ux r1 {1,[S,D,T,B,Q]} {6,B} +5 C ux r1 {2,S} +6 C u0 r1 {4,B} {7,B} +7 C u0 r1 {6,B} {8,[S,D,T,B,Q]} +8 C ux r1 {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C u0 r1 {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4205, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_5R!H-inRing_1R!H-inRing_N-Sp-2R!H-=1R!H", + group = +""" +1 *1 C u0 r1 {2,D} {4,[S,D,T,B,Q]} +2 *2 C u0 r1 {1,D} {5,S} +3 *3 C u[1,2,3,4] r0 +4 C ux r1 {1,[S,D,T,B,Q]} {6,B} +5 C ux r1 {2,S} +6 C u0 r1 {4,B} {7,B} +7 C u0 r1 {6,B} {8,[S,D,T,B,Q]} +8 C ux r1 {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C u0 r1 {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4206, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_5R!H-inRing_N-1R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {4,S} +2 *2 C u0 {1,D} {5,S} +3 *3 C u[1,2,3,4] r0 +4 C ux r1 {1,S} {6,B} +5 C ux r1 {2,S} +6 C u0 {4,B} {7,B} +7 C u0 {6,B} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} {9,B} +9 C u0 {8,B} +""", + kinetics = None, +) + +entry( + index = 4207, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {4,S} +2 *2 C u0 r0 {1,D} {5,S} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r1 {1,S} {6,B} +5 C ux r1 {2,S} +6 C u0 r1 {4,B} {7,B} +7 C u0 r1 {6,B} {8,[S,D,T,B,Q]} +8 C ux r1 {7,[S,D,T,B,Q]} {9,B} +9 C u0 r1 {8,B} +10 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4208, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-5R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {5,S} +3 *3 C u[1,2,3,4] r0 +4 C ux r1 {1,[S,D,T,B,Q]} {6,B} +5 C ux r0 {2,S} +6 C ux {4,B} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4209, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-5R!H-inRing_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {5,S} +3 *3 C u[1,2,3,4] r0 +4 C ux r1 {1,[S,D,T,B,Q]} {6,B} +5 C ux r0 {2,S} {10,[S,D,T,B,Q]} +6 C ux {4,B} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4210, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {5,S} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r1 {1,[S,D,T,B,Q]} {6,B} +5 C ux r0 {2,S} {10,[S,D,T,B,Q]} +6 C ux {4,B} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {5,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4211, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_Ext-11R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {4,S} +2 *2 C u0 r0 {1,D} {5,S} {11,S} +3 *3 C u1 r0 +4 C u0 r1 {1,S} {6,B} +5 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +6 C ux r1 {4,B} {7,[S,D,T,B,Q]} +7 C ux r1 {6,[S,D,T,B,Q]} {8,B} +8 C u0 r1 {7,B} {9,B} +9 C ux r1 {8,B} +10 C ux {5,[S,D,T,B,Q]} +11 C u0 r0 {2,S} {12,[S,D,T,B,Q]} +12 R!H ux {11,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4212, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_Sp-10R!H=5R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {5,S} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r1 {1,[S,D,T,B,Q]} {6,B} +5 C ux r0 {2,S} {10,D} +6 C ux r1 {4,B} {7,[S,D,T,B,Q]} +7 C ux r1 {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux r1 {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} +10 C ux {5,D} +11 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4213, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_N-Sp-10R!H=5R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {5,S} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r1 {1,[S,D,T,B,Q]} {6,B} +5 C ux r0 {2,S} {10,T} +6 C ux r1 {4,B} {7,[S,D,T,B,Q]} +7 C ux r1 {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux r1 {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} +10 C ux {5,T} +11 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4214, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-5R!H-inRing_Ext-5R!H-R_Sp-10R!H=5R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {5,S} +3 *3 C u[1,2,3,4] r0 +4 C ux r1 {1,[S,D,T,B,Q]} {6,B} +5 C ux r0 {2,S} {10,D} +6 C ux r1 {4,B} {7,[S,D,T,B,Q]} +7 C ux r1 {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux r1 {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} +10 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 4215, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-5R!H-inRing_Ext-5R!H-R_N-Sp-10R!H=5R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {5,S} +3 *3 C u[1,2,3,4] r0 +4 C ux r1 {1,[S,D,T,B,Q]} {6,B} +5 C ux r0 {2,S} {10,T} +6 C ux r1 {4,B} {7,[S,D,T,B,Q]} +7 C ux r1 {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux r1 {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} +10 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 4216, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-5R!H-inRing_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {5,S} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r1 {1,[S,D,T,B,Q]} {6,B} +5 C ux r0 {2,S} +6 C ux r1 {4,B} {7,[S,D,T,B,Q]} +7 C ux r1 {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux r1 {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4217, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_N-Sp-6R!H-=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {5,S} +3 *3 C u[1,2,3,4] r0 +4 C ux r1 {1,[S,D,T,B,Q]} {6,[S,D,T,Q]} +5 C ux {2,S} +6 C ux {4,[S,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 4218, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_N-Sp-6R!H-=4R!H_Int-6R!H-5R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {5,S} +3 *3 C u[1,2,3,4] r0 +4 C ux r1 {1,[S,D,T,B,Q]} {6,[S,D,T,Q]} +5 C ux {2,S} {6,[S,D,T,B,Q]} +6 C ux {4,[S,D,T,Q]} {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4219, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_N-Sp-6R!H-=4R!H_Int-6R!H-5R!H_Ext-4R!H-R", + group = +""" +1 *1 C u0 {2,D} {4,S} +2 *2 C u0 {1,D} {5,S} +3 *3 C u1 r0 +4 C u0 r1 {1,S} {6,S} {7,[S,D,T,B,Q]} +5 C u0 {2,S} {6,D} +6 C ux {4,S} {5,D} +7 C u0 {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4220, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_N-Sp-6R!H-=4R!H_Int-6R!H-5R!H_Ext-4R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 r1 {2,D} {4,S} +2 *2 C u0 r1 {1,D} {5,S} +3 *3 C u1 r0 +4 C u0 r1 {1,S} {6,S} {7,[S,D,T,B,Q]} +5 C u0 r1 {2,S} {6,D} +6 C ux r1 {4,S} {5,D} {8,[S,D,T,B,Q]} +7 C u0 {4,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4221, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_N-Sp-6R!H-=4R!H_Int-6R!H-5R!H_Sp-6R!H-4R!H", + group = +""" +1 *1 C u0 {2,D} {4,S} +2 *2 C u0 {1,D} {5,S} +3 *3 C u1 r0 +4 C u0 r1 {1,S} {6,S} +5 C u0 {2,S} {6,[S,D,T,B,Q]} +6 C u0 {4,S} {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4222, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_N-Sp-6R!H-=4R!H_Int-6R!H-5R!H_Sp-6R!H-4R!H_Ext-5R!H-R", + group = +""" +1 *1 C u0 r1 {2,D} {4,S} +2 *2 C u0 r1 {1,D} {5,S} +3 *3 C u1 r0 +4 C u0 r1 {1,S} {6,S} +5 C u0 r1 {2,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 C u0 r1 {4,S} {5,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4223, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_N-Sp-6R!H-=4R!H_Int-6R!H-5R!H_N-Sp-6R!H-4R!H", + group = +""" +1 *1 C u0 r1 {2,[B,D]} {4,[S,D,T,B,Q]} +2 *2 C u0 r1 {1,[B,D]} {5,S} +3 *3 C u[1,2,3,4] r0 +4 C ux r1 {1,[S,D,T,B,Q]} {6,D} +5 C ux r1 {2,S} {6,[S,D,T,B,Q]} +6 C ux r1 {4,D} {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4224, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {5,S} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} +5 C ux {2,S} +""", + kinetics = None, +) + +entry( + index = 4225, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_5R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {4,S} +2 *2 C u0 {1,[B,D]} {5,S} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,S} +5 C ux r1 {2,S} +""", + kinetics = None, +) + +entry( + index = 4226, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_5R!H-inRing_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {4,S} +2 *2 C u0 {1,[B,D]} {5,S} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,S} +5 C ux r1 {2,S} +6 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4227, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_5R!H-inRing_Ext-2R!H-R_Ext-4R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {4,S} +2 *2 C u0 {1,[B,D]} {5,S} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,S} {7,[S,D,T,B,Q]} +5 C ux r1 {2,S} +6 C ux {2,[S,D,T,B,Q]} +7 C u0 {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4228, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_5R!H-inRing_Ext-2R!H-R_Ext-4R!H-R_Sp-7R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {4,S} +2 *2 C u0 {1,[B,D]} {5,S} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,S} {7,D} +5 C ux r1 {2,S} +6 C ux {2,[S,D,T,B,Q]} +7 C u0 r0 {4,D} +""", + kinetics = None, +) + +entry( + index = 4229, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_5R!H-inRing_Ext-2R!H-R_Ext-4R!H-R_N-Sp-7R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {4,S} +2 *2 C u0 {1,[B,D]} {5,S} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,S} {7,[S,T,Q,B]} +5 C ux r1 {2,S} +6 C ux {2,[S,D,T,B,Q]} +7 C u0 r0 {4,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 4230, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_5R!H-inRing_Ext-4R!H-R", + group = +""" +1 *1 C u0 {2,D} {4,S} +2 *2 C u0 {1,D} {5,S} +3 *3 C u1 r0 +4 C u0 r0 {1,S} {6,[S,D,T,B,Q]} +5 C u0 r1 {2,S} +6 C u0 {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4231, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_5R!H-inRing_Ext-4R!H-R_Sp-6R!H=4R!H", + group = +""" +1 *1 C u0 r0 {2,D} {4,S} +2 *2 C u0 r0 {1,D} {5,S} +3 *3 C u1 r0 +4 C u0 r0 {1,S} {6,D} +5 C u0 r1 {2,S} +6 C u0 r0 {4,D} +""", + kinetics = None, +) + +entry( + index = 4232, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_5R!H-inRing_Ext-4R!H-R_N-Sp-6R!H=4R!H", + group = +""" +1 *1 C u0 r0 {2,D} {4,S} +2 *2 C u0 r0 {1,D} {5,S} +3 *3 C u1 r0 +4 C u0 r0 {1,S} {6,[S,T,Q,B]} +5 C u0 r1 {2,S} +6 C u0 r0 {4,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 4233, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {5,S} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} +5 C ux r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 4234, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {5,S} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} +5 C ux r0 {2,S} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4235, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {4,S} +2 *2 C u0 r0 {1,D} {5,S} +3 *3 C u1 r0 +4 C u0 r0 {1,S} +5 C u0 r0 {2,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4236, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {5,S} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} +5 C ux r0 {2,S} {6,[S,D,T,B,Q]} +6 C ux {5,[S,D,T,B,Q]} +7 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4237, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,D} {4,S} +2 *2 C u0 {1,D} {5,S} {7,S} +3 *3 C u1 r0 +4 C u0 r0 {1,S} +5 C u0 r0 {2,S} {6,[S,D,T,B,Q]} +6 C u0 {5,[S,D,T,B,Q]} +7 C u0 {2,S} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4238, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_Ext-7R!H-R_Ext-4R!H-R", + group = +""" +1 *1 C u0 {2,D} {4,S} +2 *2 C u0 {1,D} {5,S} {7,S} +3 *3 C u1 r0 +4 C u0 r0 {1,S} {9,[S,D,T,B,Q]} +5 C u0 r0 {2,S} {6,[S,D,T,B,Q]} +6 C u0 {5,[S,D,T,B,Q]} +7 C u0 {2,S} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C u0 {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4239, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_Ext-7R!H-R_Ext-4R!H-R_Sp-9R!H=4R!H", + group = +""" +1 *1 C u0 r0 {2,D} {4,S} +2 *2 C u0 r0 {1,D} {5,S} {7,S} +3 *3 C u1 r0 +4 C u0 r0 {1,S} {9,D} +5 C u0 r0 {2,S} {6,[S,D,T,B,Q]} +6 C u0 r0 {5,[S,D,T,B,Q]} +7 C u0 r0 {2,S} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C u0 r0 {4,D} +""", + kinetics = None, +) + +entry( + index = 4240, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_Ext-7R!H-R_Ext-4R!H-R_N-Sp-9R!H=4R!H", + group = +""" +1 *1 C u0 r0 {2,D} {4,S} +2 *2 C u0 r0 {1,D} {5,S} {7,S} +3 *3 C u1 r0 +4 C u0 r0 {1,S} {9,[S,T,Q,B]} +5 C u0 r0 {2,S} {6,[S,D,T,B,Q]} +6 C u0 r0 {5,[S,D,T,B,Q]} +7 C u0 r0 {2,S} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C u0 r0 {4,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 4241, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_Ext-4R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {5,S} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +5 C ux r0 {2,S} {6,[S,D,T,B,Q]} +6 C ux {5,[S,D,T,B,Q]} +7 C ux {2,[S,D,T,B,Q]} +8 C ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4242, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_Ext-4R!H-R_Sp-8R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {5,S} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {8,D} +5 C ux r0 {2,S} {6,[S,D,T,B,Q]} +6 C ux {5,[S,D,T,B,Q]} +7 C ux {2,[S,D,T,B,Q]} +8 C ux {4,D} +""", + kinetics = None, +) + +entry( + index = 4243, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_Ext-4R!H-R_Sp-8R!H=4R!H_Sp-6R!H=5R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {5,S} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {8,D} +5 C ux r0 {2,S} {6,D} +6 C ux {5,D} +7 C ux {2,[S,D,T,B,Q]} +8 C ux {4,D} +""", + kinetics = None, +) + +entry( + index = 4244, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_Ext-4R!H-R_Sp-8R!H=4R!H_N-Sp-6R!H=5R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {5,S} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {8,D} +5 C ux r0 {2,S} {6,T} +6 C ux {5,T} +7 C ux {2,[S,D,T,B,Q]} +8 C ux {4,D} +""", + kinetics = None, +) + +entry( + index = 4245, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_Ext-4R!H-R_N-Sp-8R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {5,S} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {8,[S,T,Q,B]} +5 C ux r0 {2,S} {6,[S,D,T,B,Q]} +6 C ux {5,[S,D,T,B,Q]} +7 C ux {2,[S,D,T,B,Q]} +8 C ux {4,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 4246, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_Ext-4R!H-R_N-Sp-8R!H=4R!H_Sp-6R!H=5R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {5,S} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {8,[S,T,Q,B]} +5 C ux r0 {2,S} {6,D} +6 C ux {5,D} +7 C ux {2,[S,D,T,B,Q]} +8 C ux {4,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 4247, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_Ext-4R!H-R_N-Sp-8R!H=4R!H_N-Sp-6R!H=5R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {5,S} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {8,[S,T,Q,B]} +5 C ux r0 {2,S} {6,T} +6 C ux {5,T} +7 C ux {2,[S,D,T,B,Q]} +8 C ux {4,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 4248, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_Sp-6R!H=5R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {5,S} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} +5 C ux r0 {2,S} {6,D} +6 C ux {5,D} +7 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4249, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_N-Sp-6R!H=5R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {5,S} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} +5 C ux r0 {2,S} {6,T} +6 C ux {5,T} +7 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4250, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-4R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {5,S} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +5 C ux r0 {2,S} {6,[S,D,T,B,Q]} +6 C ux {5,[S,D,T,B,Q]} +7 C ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4251, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-4R!H-R_Sp-7R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {5,S} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {7,D} +5 C ux r0 {2,S} {6,[S,D,T,B,Q]} +6 C ux {5,[S,D,T,B,Q]} +7 C ux {4,D} +""", + kinetics = None, +) + +entry( + index = 4252, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-4R!H-R_Sp-7R!H=4R!H_Sp-6R!H=5R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {5,S} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {7,D} +5 C ux r0 {2,S} {6,D} +6 C ux {5,D} +7 C ux {4,D} +""", + kinetics = None, +) + +entry( + index = 4253, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-4R!H-R_Sp-7R!H=4R!H_N-Sp-6R!H=5R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {5,S} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {7,D} +5 C ux r0 {2,S} {6,T} +6 C ux {5,T} +7 C ux {4,D} +""", + kinetics = None, +) + +entry( + index = 4254, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-4R!H-R_N-Sp-7R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {5,S} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {7,[S,T,Q,B]} +5 C ux r0 {2,S} {6,[S,D,T,B,Q]} +6 C ux {5,[S,D,T,B,Q]} +7 C ux {4,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 4255, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-4R!H-R_N-Sp-7R!H=4R!H_Sp-6R!H=5R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {5,S} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {7,[S,T,Q,B]} +5 C ux r0 {2,S} {6,D} +6 C ux {5,D} +7 C ux {4,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 4256, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-4R!H-R_N-Sp-7R!H=4R!H_N-Sp-6R!H=5R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {5,S} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {7,[S,T,Q,B]} +5 C ux r0 {2,S} {6,T} +6 C ux {5,T} +7 C ux {4,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 4257, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Sp-6R!H=5R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {5,S} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} +5 C ux r0 {2,S} {6,D} +6 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 4258, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {5,S} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} +5 C ux r0 {2,S} {6,[S,T]} +6 C ux {5,[S,T]} +""", + kinetics = None, +) + +entry( + index = 4259, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Sp-4R!H-1R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {4,S} +2 *2 C u0 {1,[B,D]} {5,S} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,S} +5 C ux r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 4260, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Sp-4R!H-1R!H_Ext-4R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {4,S} +2 *2 C u0 {1,[B,D]} {5,S} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,S} {6,[S,D,T,B,Q]} +5 C ux r0 {2,S} +6 C ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4261, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Sp-4R!H-1R!H_Ext-4R!H-R_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,D} {4,S} +2 *2 C u0 {1,D} {5,S} {7,S} +3 *3 C u1 r0 +4 C u0 r0 {1,S} {6,[S,D,T,B,Q]} +5 C u0 r0 {2,S} +6 C ux {4,[S,D,T,B,Q]} +7 C u0 {2,S} +""", + kinetics = None, +) + +entry( + index = 4262, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Sp-4R!H-1R!H_Ext-4R!H-R_Ext-2R!H-R_Sp-6R!H=4R!H", + group = +""" +1 *1 C u0 r0 {2,D} {4,S} +2 *2 C u0 r0 {1,D} {5,S} {7,S} +3 *3 C u1 r0 +4 C u0 r0 {1,S} {6,D} +5 C u0 r0 {2,S} +6 C ux {4,D} +7 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 4263, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Sp-4R!H-1R!H_Ext-4R!H-R_Ext-2R!H-R_N-Sp-6R!H=4R!H", + group = +""" +1 *1 C u0 r0 {2,D} {4,S} +2 *2 C u0 r0 {1,D} {5,S} {7,S} +3 *3 C u1 r0 +4 C u0 r0 {1,S} {6,T} +5 C u0 r0 {2,S} +6 C ux {4,T} +7 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 4264, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Sp-4R!H-1R!H_Ext-4R!H-R_Sp-6R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {4,S} +2 *2 C u0 {1,[B,D]} {5,S} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,S} {6,D} +5 C ux r0 {2,S} +6 C ux {4,D} +""", + kinetics = None, +) + +entry( + index = 4265, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Sp-4R!H-1R!H_Ext-4R!H-R_N-Sp-6R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {4,S} +2 *2 C u0 {1,[B,D]} {5,S} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,S} {6,T} +5 C ux r0 {2,S} +6 C ux {4,T} +""", + kinetics = None, +) + +entry( + index = 4266, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Sp-4R!H-1R!H_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {4,S} +2 *2 C u0 {1,[B,D]} {5,S} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,S} +5 C ux r0 {2,S} +6 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4267, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_N-Sp-4R!H-1R!H", + group = +""" +1 *1 C u0 {2,D} {4,D} +2 *2 C u0 {1,D} {5,S} +3 *3 C u1 r0 +4 C u0 r0 {1,D} +5 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 4268, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_N-Sp-4R!H-1R!H_Ext-2R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {4,D} +2 *2 C u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 C u1 r0 +4 C u0 r0 {1,D} +5 C u0 r0 {2,S} +6 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4269, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_N-Sp-5R!H-2R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {5,[B,D,T,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux {1,[S,D,T,B,Q]} +5 C ux {2,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 4270, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_N-Sp-5R!H-2R!H_1R!H-inRing", + group = +""" +1 *1 C u0 r1 {2,[B,D]} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {5,[B,D,T,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux {1,[S,D,T,B,Q]} +5 C ux {2,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 4271, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_N-Sp-5R!H-2R!H_1R!H-inRing_Ext-5R!H-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 r1 {2,[B,D]} {4,[S,D,T,B,Q]} +2 *2 C u0 r1 {1,[B,D]} {5,[B,D,T,Q]} +3 *3 C u1 r0 +4 C ux r1 {1,[S,D,T,B,Q]} +5 C ux r1 {2,[B,D,T,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4272, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_N-Sp-5R!H-2R!H_1R!H-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 r1 {2,[B,D]} {4,[S,D,T,B,Q]} +2 *2 C u0 r1 {1,[B,D]} {5,[B,D,T,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r1 {1,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 C ux r1 {2,[B,D,T,Q]} +6 C ux r1 {4,[S,D,T,B,Q]} {7,B} +7 C u0 r1 {6,B} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4273, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_N-Sp-5R!H-2R!H_N-1R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {4,S} +2 *2 C u0 {1,D} {5,D} +3 *3 C u[1,2,3,4] r0 +4 C u0 {1,S} +5 C u0 {2,D} +""", + kinetics = None, +) + +entry( + index = 4274, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_N-Sp-5R!H-2R!H_N-1R!H-inRing_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {4,S} +2 *2 C u0 r0 {1,D} {5,D} +3 *3 C u[1,2,3,4] r0 +4 C u0 r1 {1,S} +5 C u0 r0 {2,D} +""", + kinetics = None, +) + +entry( + index = 4275, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_N-Sp-5R!H-2R!H_N-1R!H-inRing_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {4,S} +2 *2 C u0 {1,D} {5,D} +3 *3 C u[1,2,3,4] r0 +4 C u0 r0 {1,S} +5 C u0 {2,D} +""", + kinetics = None, +) + +entry( + index = 4276, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_N-Sp-5R!H-2R!H_N-1R!H-inRing_N-4R!H-inRing_Ext-4R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {4,S} +2 *2 C u0 {1,D} {5,D} +3 *3 C u[1,2,3,4] r0 +4 C u0 r0 {1,S} {6,[S,D,T,B,Q]} +5 C u0 {2,D} +6 C u0 {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4277, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_N-Sp-5R!H-2R!H_N-1R!H-inRing_N-4R!H-inRing_Ext-4R!H-R_Sp-6R!H=4R!H", + group = +""" +1 *1 C u0 r0 {2,D} {4,S} +2 *2 C u0 r0 {1,D} {5,D} +3 *3 C u[1,2,3,4] r0 +4 C u0 r0 {1,S} {6,D} +5 C u0 r0 {2,D} +6 C u0 r0 {4,D} +""", + kinetics = None, +) + +entry( + index = 4278, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_N-Sp-5R!H-2R!H_N-1R!H-inRing_N-4R!H-inRing_Ext-4R!H-R_N-Sp-6R!H=4R!H", + group = +""" +1 *1 C u0 r0 {2,D} {4,S} +2 *2 C u0 r0 {1,D} {5,D} +3 *3 C u[1,2,3,4] r0 +4 C u0 r0 {1,S} {6,[S,T,Q,B]} +5 C u0 r0 {2,D} +6 C u0 r0 {4,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 4279, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_2R!H->S", + group = +""" +1 *1 C u0 {2,[B,D]} {4,S} +2 *2 S u0 {1,[B,D]} +3 *3 C u1 r0 +4 R!H u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4280, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_2R!H->S_4R!H->C", + group = +""" +1 *1 C u0 {2,[B,D]} {4,S} +2 *2 S u0 {1,[B,D]} +3 *3 C u1 r0 +4 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4281, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_2R!H->S_N-4R!H->C", + group = +""" +1 *1 C u0 {2,[B,D]} {4,S} +2 *2 S u0 {1,[B,D]} +3 *3 C u1 r0 +4 [O,S] u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4282, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S", + group = +""" +1 *1 C u0 {2,[B,D]} {4,[S,D,T,B,Q]} +2 *2 [O,C] u0 {1,[B,D]} +3 *3 C u[1,2,3,4] r0 +4 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4283, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_4R!H-u0", + group = +""" +1 *1 C u0 {2,[B,D]} {4,[S,D,T,B,Q]} +2 *2 [O,C] u0 {1,[B,D]} +3 *3 C u[1,2,3,4] r0 +4 R!H u0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4284, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_4R!H-u0_4R!H->C", + group = +""" +1 *1 C u0 {2,[B,D]} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} +3 *3 C u[1,2,3,4] r0 +4 C u0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4285, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_4R!H-u0_4R!H->C_Sp-4C-1R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {4,S} +2 *2 C u0 {1,[B,D]} +3 *3 C u[1,2,3,4] r0 +4 C u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4286, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_4R!H-u0_4R!H->C_Sp-4C-1R!H_4C-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {4,S} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 +4 C u0 r1 {1,S} +""", + kinetics = None, +) + +entry( + index = 4287, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_4R!H-u0_4R!H->C_Sp-4C-1R!H_N-4C-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {4,S} +2 *2 C u0 {1,[B,D]} +3 *3 C u[1,2,3,4] r0 +4 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4288, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_4R!H-u0_4R!H->C_Sp-4C-1R!H_N-4C-inRing_Ext-4C-R", + group = +""" +1 *1 C u0 {2,[B,D]} {4,S} +2 *2 C u0 {1,[B,D]} +3 *3 C u[1,2,3,4] r0 +4 C u0 r0 {1,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4289, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_4R!H-u0_4R!H->C_Sp-4C-1R!H_N-4C-inRing_Ext-4C-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {4,S} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 +4 C u0 r0 {1,S} {5,[S,D,T,B,Q]} +5 C u0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4290, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_4R!H-u0_4R!H->C_Sp-4C-1R!H_N-4C-inRing_Ext-4C-R_Ext-5R!H-R_Ext-5R!H-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {4,S} +2 *2 C u0 r0 {1,D} +3 *3 C u[1,2,3,4] r0 +4 C u0 r0 {1,S} {5,[S,D,T,B,Q]} +5 C u0 r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4291, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_4R!H-u0_4R!H->C_Sp-4C-1R!H_N-4C-inRing_Ext-4C-R_Sp-5R!H=4C", + group = +""" +1 *1 C u0 {2,[B,D]} {4,S} +2 *2 C u0 {1,[B,D]} +3 *3 C u[1,2,3,4] r0 +4 C u0 r0 {1,S} {5,D} +5 C ux {4,D} +""", + kinetics = None, +) + +entry( + index = 4292, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_4R!H-u0_4R!H->C_Sp-4C-1R!H_N-4C-inRing_Ext-4C-R_N-Sp-5R!H=4C", + group = +""" +1 *1 C u0 {2,[B,D]} {4,S} +2 *2 C u0 {1,[B,D]} +3 *3 C u[1,2,3,4] r0 +4 C u0 r0 {1,S} {5,[S,T]} +5 C ux {4,[S,T]} +""", + kinetics = None, +) + +entry( + index = 4293, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_4R!H-u0_4R!H->C_N-Sp-4C-1R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {4,D} +2 *2 C u0 {1,[B,D]} +3 *3 C u1 r0 +4 C u0 {1,D} +""", + kinetics = None, +) + +entry( + index = 4294, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_4R!H-u0_N-4R!H->C", + group = +""" +1 *1 C u0 {2,[B,D]} {4,D} +2 *2 [O,C] u0 {1,[B,D]} +3 *3 C u1 r0 +4 [O,S] u0 {1,D} +""", + kinetics = None, +) + +entry( + index = 4295, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_4R!H-u0_N-4R!H->C_2CO->O", + group = +""" +1 *1 C u0 {2,[B,D]} {4,D} +2 *2 O u0 {1,[B,D]} +3 *3 C u1 r0 +4 [O,S] u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 4296, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_4R!H-u0_N-4R!H->C_N-2CO->O", + group = +""" +1 *1 C u0 {2,[B,D]} {4,D} +2 *2 C u0 {1,[B,D]} +3 *3 C u1 r0 +4 [O,S] u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 4297, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_N-4R!H-u0", + group = +""" +1 *1 C u0 {2,[B,D]} {4,[S,D,T,B,Q]} +2 *2 [O,C] u0 {1,[B,D]} +3 *3 C u1 r0 +4 R!H u1 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4298, + label = "Root_N-3R-inRing_3R->C_3C-u1", + group = +""" +1 *1 R!H u0 {2,[D,T,B]} +2 *2 R!H u0 {1,[D,T,B]} +3 *3 C u1 r0 +""", + kinetics = None, +) + +entry( + index = 4299, + label = "Root_N-3R-inRing_3R->C_3C-u1_1R!H->S", + group = +""" +1 *1 S u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u1 r0 +""", + kinetics = None, +) + +entry( + index = 4300, + label = "Root_N-3R-inRing_3R->C_3C-u1_1R!H->S_Ext-2R!H-R", + group = +""" +1 *1 S u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {4,[S,D,T,B,Q]} +3 *3 C u1 r0 +4 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4301, + label = "Root_N-3R-inRing_3R->C_3C-u1_1R!H->S_Ext-2R!H-R_Ext-4R!H-R", + group = +""" +1 *1 S u0 {2,D} +2 *2 C u0 {1,D} {4,[S,D,T,B,Q]} +3 *3 C u1 r0 +4 C ux {2,[S,D,T,B,Q]} {5,D} +5 C u0 {4,D} +""", + kinetics = None, +) + +entry( + index = 4302, + label = "Root_N-3R-inRing_3R->C_3C-u1_1R!H->S_Ext-2R!H-R_Ext-4R!H-R_Ext-2R!H-R", + group = +""" +1 *1 S u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +3 *3 C u1 r0 +4 C ux {2,[S,D,T,B,Q]} {5,D} +5 C u0 r0 {4,D} +6 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4303, + label = "Root_N-3R-inRing_3R->C_3C-u1_1R!H->S_Ext-2R!H-R_Ext-2R!H-R", + group = +""" +1 *1 S u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +3 *3 C u1 r0 +4 R!H ux {2,[S,D,T,B,Q]} +5 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4304, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S", + group = +""" +1 *1 [C,N] u0 {2,[D,T,B]} +2 *2 R!H u0 {1,[D,T,B]} +3 *3 C u1 r0 +""", + kinetics = None, +) + +entry( + index = 4305, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_2R!H->S", + group = +""" +1 *1 [C,N] u0 r0 {2,[D,T,B]} +2 *2 S u0 {1,[D,T,B]} +3 *3 C u1 r0 +""", + kinetics = None, +) + +entry( + index = 4306, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S", + group = +""" +1 *1 [C,N] u0 {2,[D,T,B]} +2 *2 [O,N,C] u0 {1,[D,T,B]} +3 *3 C u1 r0 +""", + kinetics = None, +) + +entry( + index = 4307, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {4,[S,D,T,B,Q]} +3 *3 C u1 r0 +4 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4308, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {4,S} +3 *3 C u1 r0 +4 R!H ux {2,S} +""", + kinetics = None, +) + +entry( + index = 4309, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {4,S} +3 *3 C u1 r0 +4 R!H ux {2,S} +""", + kinetics = None, +) + +entry( + index = 4310, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {4,S} +3 *3 C u1 r0 +4 C ux {2,S} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4311, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_Sp-5R!H-4R!H", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {4,S} +3 *3 C u1 r0 +4 C u0 {2,S} {5,S} +5 R!H ux {4,S} +""", + kinetics = None, +) + +entry( + index = 4312, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_Sp-5R!H-4R!H_5R!H->C", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {4,S} +3 *3 C u1 r0 +4 C u0 r0 {2,S} {5,S} +5 C ux r0 {4,S} +""", + kinetics = None, +) + +entry( + index = 4313, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_Sp-5R!H-4R!H_N-5R!H->C", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {4,S} +3 *3 C u1 r0 +4 C u0 r0 {2,S} {5,S} +5 O ux r0 {4,S} +""", + kinetics = None, +) + +entry( + index = 4314, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_N-Sp-5R!H-4R!H", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {4,S} +3 *3 C u1 r0 +4 C ux {2,S} {5,[B,D,T,Q]} +5 C ux {4,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 4315, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_N-Sp-5R!H-4R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {4,S} +3 *3 C u1 r0 +4 C u0 r1 {2,S} {5,[B,D,T,Q]} +5 C ux {4,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 4316, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_N-Sp-5R!H-4R!H_4R!H-inRing_Ext-2CNO-R", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {4,S} {6,S} +3 *3 C u1 r0 +4 C u0 r1 {2,S} {5,[B,D,T,Q]} +5 C ux {4,[B,D,T,Q]} +6 C u0 {2,S} +""", + kinetics = None, +) + +entry( + index = 4317, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_N-Sp-5R!H-4R!H_4R!H-inRing_Ext-2CNO-R_2CNO-inRing", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r1 {1,D} {4,S} {6,S} +3 *3 C u1 r0 +4 C u0 r1 {2,S} {5,[B,D,T,Q]} +5 C ux r1 {4,[B,D,T,Q]} +6 C u0 {2,S} +""", + kinetics = None, +) + +entry( + index = 4318, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_N-Sp-5R!H-4R!H_4R!H-inRing_Ext-2CNO-R_N-2CNO-inRing", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {4,S} {6,S} +3 *3 C u1 r0 +4 C u0 r1 {2,S} {5,[B,D,T,Q]} +5 C ux r1 {4,[B,D,T,Q]} +6 C u0 {2,S} +""", + kinetics = None, +) + +entry( + index = 4319, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {4,S} +3 *3 C u1 r0 +4 C ux r0 {2,S} {5,[B,D,T,Q]} +5 C ux {4,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 4320, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-4R!H-inRing_Ext-2CNO-R", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {4,S} {6,[S,D,T,B,Q]} +3 *3 C u1 r0 +4 C ux r0 {2,S} {5,[B,D,T,Q]} +5 C ux {4,[B,D,T,Q]} +6 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4321, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-4R!H-inRing_Ext-2CNO-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 {1,D} {4,S} {6,S} +3 *3 C u1 r0 +4 C u0 r0 {2,S} {5,[B,D,T,Q]} +5 C ux {4,[B,D,T,Q]} +6 C u0 r0 {2,S} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4322, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-4R!H-inRing_Ext-2CNO-R_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {4,S} {6,[S,D,T,B,Q]} +3 *3 C u1 r0 +4 C ux r0 {2,S} {5,D} +5 C ux {4,D} +6 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4323, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-4R!H-inRing_Ext-2CNO-R_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {4,S} {6,[S,D,T,B,Q]} +3 *3 C u1 r0 +4 C ux r0 {2,S} {5,T} +5 C ux {4,T} +6 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4324, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-4R!H-inRing_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {4,S} +3 *3 C u1 r0 +4 C ux r0 {2,S} {5,D} +5 C ux {4,D} +""", + kinetics = None, +) + +entry( + index = 4325, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-4R!H-inRing_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {4,S} +3 *3 C u1 r0 +4 C ux r0 {2,S} {5,T} +5 C ux {4,T} +""", + kinetics = None, +) + +entry( + index = 4326, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_4R!H->C", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {4,S} +3 *3 C u1 r0 +4 C u0 {2,S} +""", + kinetics = None, +) + +entry( + index = 4327, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_4R!H->C_Ext-2CNO-R", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 {1,D} {4,S} {5,[S,D,T,B,Q]} +3 *3 C u1 r0 +4 C u0 {2,S} +5 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4328, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_N-4R!H->C", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 r0 {1,D} {4,S} +3 *3 C u1 r0 +4 O ux r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 4329, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-Sp-2CNO=1CCNNO", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} {4,S} +3 *3 C u1 r0 +4 C u0 {2,S} +""", + kinetics = None, +) + +entry( + index = 4330, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-Sp-2CNO=1CCNNO_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} +2 *2 C u0 r0 {1,T} {4,S} +3 *3 C u1 r0 +4 C u0 r1 {2,S} +""", + kinetics = None, +) + +entry( + index = 4331, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-Sp-2CNO=1CCNNO_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} {4,S} +3 *3 C u1 r0 +4 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 4332, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-Sp-2CNO=1CCNNO_N-4R!H-inRing_Ext-4R!H-R", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} {4,S} +3 *3 C u1 r0 +4 C u0 r0 {2,S} {5,[S,D,T,B,Q]} +5 C u0 {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4333, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-Sp-2CNO=1CCNNO_N-4R!H-inRing_Ext-4R!H-R_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 r0 {2,T} +2 *2 C u0 r0 {1,T} {4,S} +3 *3 C u1 r0 +4 C u0 r0 {2,S} {5,D} +5 C u0 r0 {4,D} +""", + kinetics = None, +) + +entry( + index = 4334, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-Sp-2CNO=1CCNNO_N-4R!H-inRing_Ext-4R!H-R_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 r0 {2,T} +2 *2 C u0 r0 {1,T} {4,S} +3 *3 C u1 r0 +4 C u0 r0 {2,S} {5,[S,T,Q,B]} +5 C u0 r0 {4,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 4335, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_N-Sp-4R!H-2CNO", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {4,[B,D,T,Q]} +3 *3 C u1 r0 +4 R!H ux {2,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 4336, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_N-Sp-4R!H-2CNO_4R!H->C", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {4,D} +3 *3 C u1 r0 +4 C u0 r0 {2,D} +""", + kinetics = None, +) + +entry( + index = 4337, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_N-Sp-4R!H-2CNO_N-4R!H->C", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 r0 {1,D} {4,[B,D,T,Q]} +3 *3 C u1 r0 +4 O ux r0 {2,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 4338, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Sp-2CNO=1CCNNO", + group = +""" +1 *1 C u0 {2,D} +2 *2 [O,N,C] u0 {1,D} +3 *3 C u1 r0 +""", + kinetics = None, +) + +entry( + index = 4339, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Sp-2CNO=1CCNNO_2CNO->O", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 O u0 r0 {1,D} +3 *3 C u1 r0 +""", + kinetics = None, +) + +entry( + index = 4340, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Sp-2CNO=1CCNNO_N-2CNO->O", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 +""", + kinetics = None, +) + +entry( + index = 4341, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_N-Sp-2CNO=1CCNNO", + group = +""" +1 *1 [C,N] u0 {2,T} +2 *2 [O,N,C] u0 {1,T} +3 *3 C u1 r0 +""", + kinetics = None, +) + +entry( + index = 4342, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_N-Sp-2CNO=1CCNNO_1CN->C", + group = +""" +1 *1 C u0 r0 {2,T} +2 *2 [O,N,C] u0 {1,T} +3 *3 C u1 r0 +""", + kinetics = None, +) + +entry( + index = 4343, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_N-Sp-2CNO=1CCNNO_N-1CN->C", + group = +""" +1 *1 N u0 r0 {2,T} +2 *2 [O,N,C] u0 {1,T} +3 *3 C u1 r0 +""", + kinetics = None, +) + +entry( + index = 4344, + label = "Root_N-3R-inRing_3R->C_N-3C-u1", + group = +""" +1 *1 R!H u0 r0 {2,[D,T,B]} +2 *2 R!H u0 {1,[D,T,B]} +3 *3 C u2 r0 +""", + kinetics = None, +) + +entry( + index = 4345, + label = "Root_N-3R-inRing_N-3R->C", + group = +""" +1 *1 R!H u0 {2,[D,T,B]} +2 *2 R!H u0 {1,[D,T,B]} +3 *3 [O,S,N] u[1,2,3,4] r0 +""", + kinetics = None, +) + +entry( + index = 4346, + label = "Root_N-3R-inRing_N-3R->C_1R!H->N", + group = +""" +1 *1 N u0 r0 {2,[D,T,B]} +2 *2 R!H u0 r0 {1,[D,T,B]} +3 *3 [O,S,N] u[1,2,3,4] r0 +""", + kinetics = None, +) + +entry( + index = 4347, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N", + group = +""" +1 *1 [C,S] u0 {2,[D,T,B]} +2 *2 R!H u0 {1,[D,T,B]} +3 *3 [O,S,N] u[1,2,3,4] r0 +""", + kinetics = None, +) + +entry( + index = 4348, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_2R!H->N", + group = +""" +1 *1 [C,S] u0 {2,[D,T,B]} +2 *2 N u0 {1,[D,T,B]} +3 *3 [O,S,N] u[1,2,3,4] r0 +""", + kinetics = None, +) + +entry( + index = 4349, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N", + group = +""" +1 *1 [C,S] u0 {2,[D,T,B]} +2 *2 [C,S] u0 {1,[D,T,B]} +3 *3 [O,S,N] u[1,2,3,4] r0 +""", + kinetics = None, +) + +entry( + index = 4350, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_3NOS->N", + group = +""" +1 *1 [C,S] u0 r0 {2,[D,T,B]} +2 *2 [C,S] u0 r0 {1,[D,T,B]} +3 *3 N u[1,2,3,4] r0 +""", + kinetics = None, +) + +entry( + index = 4351, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N", + group = +""" +1 *1 [C,S] u0 {2,[D,T,B]} +2 *2 [C,S] u0 {1,[D,T,B]} +3 *3 [O,S] u[1,2,3,4] r0 +""", + kinetics = None, +) + +entry( + index = 4352, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_Ext-1CS-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 {1,[D,T,B]} +3 *3 [O,S] u[1,2,3,4] r0 +4 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4353, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_Ext-1CS-R_2CS->C", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 [O,S] u[1,2,3,4] r0 +4 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4354, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_Ext-1CS-R_2CS->C_Sp-2C=1CS", + group = +""" +1 *1 C u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,D} +3 *3 [O,S] u[1,2,3,4] r0 +4 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4355, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_Ext-1CS-R_2CS->C_Sp-2C=1CS_Sp-4R!H-1CS", + group = +""" +1 *1 C u0 {2,D} {4,S} +2 *2 C u0 {1,D} +3 *3 [O,S] u[1,2,3,4] r0 +4 R!H ux {1,S} +""", + kinetics = None, +) + +entry( + index = 4356, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_Ext-1CS-R_2CS->C_Sp-2C=1CS_Sp-4R!H-1CS_Ext-2C-R", + group = +""" +1 *1 C u0 {2,D} {4,S} +2 *2 C u0 {1,D} {5,[S,D,T,B,Q]} +3 *3 [O,S] u[1,2,3,4] r0 +4 R!H ux {1,S} +5 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4357, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_Ext-1CS-R_2CS->C_Sp-2C=1CS_N-Sp-4R!H-1CS", + group = +""" +1 *1 C u0 r0 {2,D} {4,D} +2 *2 C u0 r0 {1,D} +3 *3 [O,S] u[1,2,3,4] r0 +4 R!H u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 4358, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_Ext-1CS-R_2CS->C_N-Sp-2C=1CS", + group = +""" +1 *1 C u0 {2,T} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,T} +3 *3 [O,S] u[1,2,3,4] r0 +4 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4359, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_Ext-1CS-R_N-2CS->C", + group = +""" +1 *1 C u0 r0 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 S u0 r0 {1,[D,T,B]} +3 *3 [O,S] u[1,2,3,4] r0 +4 R!H u0 r0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4360, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 [C,S] u0 {1,[D,T,B]} +3 *3 [O,S] u[1,2,3,4] r0 +""", + kinetics = None, +) + +entry( + index = 4361, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_Ext-2CS-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {4,[S,D,T,B,Q]} +3 *3 O u[1,2,3,4] r0 +4 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4362, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_Ext-2CS-R_3OS-u1", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {4,[S,D,T,B,Q]} +3 *3 O u1 r0 +4 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4363, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_Ext-2CS-R_3OS-u1_Sp-2CS=1C", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {4,[S,D,T,B,Q]} +3 *3 O u1 r0 +4 C u0 {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4364, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_Ext-2CS-R_3OS-u1_Sp-2CS=1C_Sp-4R!H-2CS", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {4,S} +3 *3 O u1 r0 +4 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 4365, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_Ext-2CS-R_3OS-u1_Sp-2CS=1C_N-Sp-4R!H-2CS", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {4,D} +3 *3 O u1 r0 +4 C u0 r0 {2,D} +""", + kinetics = None, +) + +entry( + index = 4366, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_Ext-2CS-R_3OS-u1_N-Sp-2CS=1C", + group = +""" +1 *1 C u0 r0 {2,T} +2 *2 C u0 r0 {1,T} {4,[S,D,T,B,Q]} +3 *3 O u1 r0 +4 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4367, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_Ext-2CS-R_N-3OS-u1", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {4,[S,D,T,B,Q]} +3 *3 O u2 r0 +4 C u0 r0 {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4368, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_3OS-u1", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 [C,S] u0 {1,[D,T,B]} +3 *3 [O,S] u1 r0 +""", + kinetics = None, +) + +entry( + index = 4369, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_3OS-u1_Sp-2CS=1C", + group = +""" +1 *1 C u0 {2,D} +2 *2 [C,S] u0 {1,D} +3 *3 [O,S] u1 r0 +""", + kinetics = None, +) + +entry( + index = 4370, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_3OS-u1_Sp-2CS=1C_3OS->O", + group = +""" +1 *1 C u0 {2,D} +2 *2 [C,S] u0 {1,D} +3 *3 O u1 r0 +""", + kinetics = None, +) + +entry( + index = 4371, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_3OS-u1_Sp-2CS=1C_N-3OS->O", + group = +""" +1 *1 C u0 {2,D} +2 *2 [C,S] u0 {1,D} +3 *3 S u1 r0 +""", + kinetics = None, +) + +entry( + index = 4372, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_3OS-u1_Sp-2CS=1C_N-3OS->O_2CS->C", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} +3 *3 S u1 r0 +""", + kinetics = None, +) + +entry( + index = 4373, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_3OS-u1_Sp-2CS=1C_N-3OS->O_N-2CS->C", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 S u0 r0 {1,D} +3 *3 S u1 r0 +""", + kinetics = None, +) + +entry( + index = 4374, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_3OS-u1_N-Sp-2CS=1C", + group = +""" +1 *1 C u0 r0 {2,T} +2 *2 [C,S] u0 r0 {1,T} +3 *3 [O,S] u1 r0 +""", + kinetics = None, +) + +entry( + index = 4375, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_N-3OS-u1", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 [C,S] u0 {1,[D,T,B]} +3 *3 [O,S] u2 r0 +""", + kinetics = None, +) + +entry( + index = 4376, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_N-1CS->C", + group = +""" +1 *1 S u0 {2,[D,T,B]} +2 *2 [C,S] u0 {1,[D,T,B]} +3 *3 [O,S] u[1,2,3,4] r0 +""", + kinetics = None, +) + +tree( +""" +L1: Root + L2: Root_3R->H + L3: Root_3R->H_2R!H->N + L4: Root_3R->H_2R!H->N_1R!H->N + L5: Root_3R->H_2R!H->N_1R!H->N_Sp-2N=1N + L5: Root_3R->H_2R!H->N_1R!H->N_N-Sp-2N=1N + L4: Root_3R->H_2R!H->N_N-1R!H->N + L5: Root_3R->H_2R!H->N_N-1R!H->N_Sp-2N=1COS + L5: Root_3R->H_2R!H->N_N-1R!H->N_N-Sp-2N=1COS + L3: Root_3R->H_N-2R!H->N + L4: Root_3R->H_N-2R!H->N_2COS-inRing + L5: Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H + L6: Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R + L7: Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_5R!H-u1 + L7: Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1 + L8: Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_Ext-1R!H-R + L9: Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_Ext-1R!H-R_Ext-2COS-R_Int-8R!H-5R!H + L9: Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_Ext-1R!H-R_Ext-2COS-R_Ext-8R!H-R_Ext-8R!H-R + L9: Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_Ext-1R!H-R_Sp-5R!H-4R!H + L10: Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_Ext-1R!H-R_Sp-5R!H-4R!H_Sp-6R!H-4R!H + L10: Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_Ext-1R!H-R_Sp-5R!H-4R!H_N-Sp-6R!H-4R!H + L11: Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_Ext-1R!H-R_Sp-5R!H-4R!H_N-Sp-6R!H-4R!H_Ext-7R!H-R + L12: Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_Ext-1R!H-R_Sp-5R!H-4R!H_N-Sp-6R!H-4R!H_Ext-7R!H-R_Ext-5R!H-R + L12: Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_Ext-1R!H-R_Sp-5R!H-4R!H_N-Sp-6R!H-4R!H_Ext-7R!H-R_4R!H-inRing + L12: Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_Ext-1R!H-R_Sp-5R!H-4R!H_N-Sp-6R!H-4R!H_Ext-7R!H-R_N-4R!H-inRing + L9: Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_Ext-1R!H-R_N-Sp-5R!H-4R!H + L8: Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_Sp-5R!H-4R!H + L9: Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_Sp-5R!H-4R!H_Ext-5R!H-R + L8: Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_N-Sp-5R!H-4R!H + L9: Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_N-Sp-5R!H-4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R + L6: Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H=4R!H + L7: Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H=4R!H_4R!H-inRing + L7: Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H=4R!H_N-4R!H-inRing + L6: Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R + L7: Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_Sp-4R!H-1R!H + L8: Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_Sp-4R!H-1R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R + L8: Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_Sp-4R!H-1R!H_4R!H-inRing + L8: Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_Sp-4R!H-1R!H_N-4R!H-inRing + L9: Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_Sp-4R!H-1R!H_N-4R!H-inRing_Ext-4R!H-R + L7: Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_N-Sp-4R!H-1R!H + L8: Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_N-Sp-4R!H-1R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R + L6: Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_Sp-4R!H-2COS + L6: Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-4R!H-2COS + L7: Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-4R!H-2COS_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Int-7R!H-6R!H_Ext-7R!H-R + L8: Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-4R!H-2COS_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Int-7R!H-6R!H_Ext-7R!H-R_Int-8R!H-2COS + L9: Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-4R!H-2COS_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Int-7R!H-6R!H_Ext-7R!H-R_Int-8R!H-2COS_Ext-5R!H-R + L10: Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-4R!H-2COS_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Int-7R!H-6R!H_Ext-7R!H-R_Int-8R!H-2COS_Ext-5R!H-R_Ext-8R!H-R + L8: Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-4R!H-2COS_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Int-7R!H-6R!H_Ext-7R!H-R_Ext-6R!H-R + L7: Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-4R!H-2COS_Ext-2COS-R + L7: Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-4R!H-2COS_Ext-5R!H-R_Ext-5R!H-R + L7: Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-4R!H-2COS_Ext-4R!H-R + L7: Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-4R!H-2COS_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R + L5: Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H + L6: Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing + L7: Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R + L8: Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R + L9: Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_5R!H-inRing + L10: Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_5R!H-inRing_Ext-5R!H-R_Ext-9R!H-R_Ext-8R!H-R + L11: Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_5R!H-inRing_Ext-5R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-4R!H-R + L10: Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_5R!H-inRing_Ext-5R!H-R_Sp-9R!H=5R!H + L11: Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_5R!H-inRing_Ext-5R!H-R_Sp-9R!H=5R!H_Ext-2COS-R + L10: Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_5R!H-inRing_Ext-5R!H-R_N-Sp-9R!H=5R!H + L9: Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-5R!H-inRing + L10: Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-5R!H-inRing_Ext-4R!H-R + L7: Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H + L8: Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2COS-R + L9: Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2COS-R_Ext-4R!H-R + L8: Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R + L9: Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H + L10: Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-5R!H-R + L11: Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-5R!H-R_Ext-5R!H-R + L11: Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-5R!H-R_Ext-8R!H-R + L12: Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-5R!H-R_Ext-8R!H-R_7R!H->C + L13: Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-5R!H-R_Ext-8R!H-R_7R!H->C_Int-6R!H-5R!H + L12: Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-5R!H-R_Ext-8R!H-R_N-7R!H->C + L10: Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-7R!H-R + L11: Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-7R!H-R_Int-8R!H-4R!H + L11: Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-7R!H-R_8R!H-inRing + L12: Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-7R!H-R_8R!H-inRing_Ext-4R!H-R + L11: Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-7R!H-R_N-8R!H-inRing + L12: Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-7R!H-R_N-8R!H-inRing_Sp-7R!H-6R!H + L13: Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-7R!H-R_N-8R!H-inRing_Sp-7R!H-6R!H_Int-6R!H-5R!H + L13: Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-7R!H-R_N-8R!H-inRing_Sp-7R!H-6R!H_5R!H-inRing + L13: Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-7R!H-R_N-8R!H-inRing_Sp-7R!H-6R!H_N-5R!H-inRing + L12: Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-7R!H-R_N-8R!H-inRing_N-Sp-7R!H-6R!H + L10: Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-4R!H-R + L9: Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_N-Sp-2COS=1R!H + L10: Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_N-Sp-2COS=1R!H_Ext-4R!H-R + L11: Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_N-Sp-2COS=1R!H_Ext-4R!H-R_5R!H-inRing + L11: Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_N-Sp-2COS=1R!H_Ext-4R!H-R_N-5R!H-inRing + L7: Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H + L8: Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R + L9: Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-5R!H-4R!H + L10: Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-5R!H-4R!H_Sp-4R!H-2COS + L11: Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-5R!H-4R!H_Sp-4R!H-2COS_7R!H-inRing + L12: Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-5R!H-4R!H_Sp-4R!H-2COS_7R!H-inRing_5R!H-inRing + L13: Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-5R!H-4R!H_Sp-4R!H-2COS_7R!H-inRing_5R!H-inRing_Sp-7R!H=6R!H + L14: Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-5R!H-4R!H_Sp-4R!H-2COS_7R!H-inRing_5R!H-inRing_Sp-7R!H=6R!H_Ext-5R!H-R + L13: Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-5R!H-4R!H_Sp-4R!H-2COS_7R!H-inRing_5R!H-inRing_N-Sp-7R!H=6R!H + L14: Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-5R!H-4R!H_Sp-4R!H-2COS_7R!H-inRing_5R!H-inRing_N-Sp-7R!H=6R!H_Ext-4R!H-R + L14: Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-5R!H-4R!H_Sp-4R!H-2COS_7R!H-inRing_5R!H-inRing_N-Sp-7R!H=6R!H_Ext-5R!H-R + L12: Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-5R!H-4R!H_Sp-4R!H-2COS_7R!H-inRing_Ext-2COS-R + L11: Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-5R!H-4R!H_Sp-4R!H-2COS_N-7R!H-inRing + L12: Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-5R!H-4R!H_Sp-4R!H-2COS_N-7R!H-inRing_Ext-2COS-R + L10: Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-5R!H-4R!H_N-Sp-4R!H-2COS + L9: Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H + L10: Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Sp-2COS=1R!H + L10: Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-Sp-2COS=1R!H + L9: Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H + L10: Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-4R!H-R + L11: Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-4R!H-R_Int-6R!H-5R!H + L12: Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-4R!H-R_Int-6R!H-5R!H_Sp-6R!H-5R!H + L12: Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-4R!H-R_Int-6R!H-5R!H_N-Sp-6R!H-5R!H + L8: Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-5R!H-R_Ext-1R!H-R + L9: Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-5R!H-R_Ext-1R!H-R_Ext-2COS-R + L6: Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_N-1R!H-inRing + L7: Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_N-1R!H-inRing_Ext-1R!H-R + L8: Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_N-1R!H-inRing_Ext-1R!H-R_Ext-2COS-R_Ext-5R!H-R_Ext-5R!H-R + L7: Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_N-1R!H-inRing_Ext-2COS-R_Ext-4R!H-R_Ext-2COS-R + L8: Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_N-1R!H-inRing_Ext-2COS-R_Ext-4R!H-R_Ext-2COS-R_Ext-6R!H-R_Ext-5R!H-R + L9: Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_N-1R!H-inRing_Ext-2COS-R_Ext-4R!H-R_Ext-2COS-R_Ext-6R!H-R_Ext-5R!H-R_Ext-4R!H-R + L4: Root_3R->H_N-2R!H->N_N-2COS-inRing + L5: Root_3R->H_N-2R!H->N_N-2COS-inRing_1R!H->N + L6: Root_3R->H_N-2R!H->N_N-2COS-inRing_1R!H->N_Sp-2COS=1N + L6: Root_3R->H_N-2R!H->N_N-2COS-inRing_1R!H->N_N-Sp-2COS=1N + L5: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N + L6: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R + L7: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing + L8: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0 + L9: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R + L10: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS + L11: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing + L12: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS + L13: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R + L14: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R + L15: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H + L16: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R + L17: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H + L18: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4R!H-R + L19: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4R!H-R_Sp-9R!H=4R!H + L20: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4R!H-R_Sp-9R!H=4R!H_Ext-1COS-R + L21: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4R!H-R_Sp-9R!H=4R!H_Ext-1COS-R_Ext-10R!H-R + L22: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4R!H-R_Sp-9R!H=4R!H_Ext-1COS-R_Ext-10R!H-R_Sp-11R!H=10R!H + L22: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4R!H-R_Sp-9R!H=4R!H_Ext-1COS-R_Ext-10R!H-R_N-Sp-11R!H=10R!H + L19: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4R!H-R_N-Sp-9R!H=4R!H + L20: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4R!H-R_N-Sp-9R!H=4R!H_Ext-1COS-R + L21: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4R!H-R_N-Sp-9R!H=4R!H_Ext-1COS-R_Ext-10R!H-R + L18: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-1COS-R + L19: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-1COS-R_9R!H-inRing + L19: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-1COS-R_N-9R!H-inRing + L17: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H + L18: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4R!H-R + L19: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4R!H-R_Sp-9R!H=4R!H + L20: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4R!H-R_Sp-9R!H=4R!H_Ext-1COS-R + L21: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4R!H-R_Sp-9R!H=4R!H_Ext-1COS-R_Ext-10R!H-R + L22: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4R!H-R_Sp-9R!H=4R!H_Ext-1COS-R_Ext-10R!H-R_Sp-11R!H=10R!H + L22: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4R!H-R_Sp-9R!H=4R!H_Ext-1COS-R_Ext-10R!H-R_N-Sp-11R!H=10R!H + L19: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4R!H-R_N-Sp-9R!H=4R!H + L20: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4R!H-R_N-Sp-9R!H=4R!H_Ext-1COS-R + L21: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4R!H-R_N-Sp-9R!H=4R!H_Ext-1COS-R_Ext-10R!H-R + L18: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-1COS-R + L19: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-1COS-R_9R!H-inRing + L19: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-1COS-R_N-9R!H-inRing + L16: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4R!H-R + L17: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4R!H-R_Sp-8R!H=4R!H + L18: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4R!H-R_Sp-8R!H=4R!H_Ext-1COS-R + L19: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4R!H-R_Sp-8R!H=4R!H_Ext-1COS-R_Ext-9R!H-R + L20: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4R!H-R_Sp-8R!H=4R!H_Ext-1COS-R_Ext-9R!H-R_Sp-10R!H=9R!H + L20: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4R!H-R_Sp-8R!H=4R!H_Ext-1COS-R_Ext-9R!H-R_N-Sp-10R!H=9R!H + L17: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4R!H-R_N-Sp-8R!H=4R!H + L18: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4R!H-R_N-Sp-8R!H=4R!H_Ext-1COS-R + L19: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4R!H-R_N-Sp-8R!H=4R!H_Ext-1COS-R_Ext-9R!H-R + L16: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-1COS-R + L17: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-1COS-R_8R!H-inRing + L17: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-1COS-R_N-8R!H-inRing + L15: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H + L16: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R + L17: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4R!H-R + L18: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4R!H-R_Sp-9R!H=4R!H + L19: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4R!H-R_Sp-9R!H=4R!H_Ext-1COS-R + L20: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4R!H-R_Sp-9R!H=4R!H_Ext-1COS-R_Ext-10R!H-R + L21: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4R!H-R_Sp-9R!H=4R!H_Ext-1COS-R_Ext-10R!H-R_Sp-11R!H=10R!H + L21: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4R!H-R_Sp-9R!H=4R!H_Ext-1COS-R_Ext-10R!H-R_N-Sp-11R!H=10R!H + L18: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4R!H-R_N-Sp-9R!H=4R!H + L19: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4R!H-R_N-Sp-9R!H=4R!H_Ext-1COS-R + L20: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4R!H-R_N-Sp-9R!H=4R!H_Ext-1COS-R_Ext-10R!H-R + L17: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-1COS-R + L18: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-1COS-R_9R!H-inRing + L18: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-1COS-R_N-9R!H-inRing + L16: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4R!H-R + L17: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4R!H-R_Sp-8R!H=4R!H + L18: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4R!H-R_Sp-8R!H=4R!H_Ext-1COS-R + L19: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4R!H-R_Sp-8R!H=4R!H_Ext-1COS-R_Ext-9R!H-R + L20: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4R!H-R_Sp-8R!H=4R!H_Ext-1COS-R_Ext-9R!H-R_Sp-10R!H=9R!H + L20: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4R!H-R_Sp-8R!H=4R!H_Ext-1COS-R_Ext-9R!H-R_N-Sp-10R!H=9R!H + L17: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4R!H-R_N-Sp-8R!H=4R!H + L18: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4R!H-R_N-Sp-8R!H=4R!H_Ext-1COS-R + L19: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4R!H-R_N-Sp-8R!H=4R!H_Ext-1COS-R_Ext-9R!H-R + L16: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-1COS-R + L17: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-1COS-R_8R!H-inRing + L17: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-1COS-R_N-8R!H-inRing + L14: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS + L15: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R + L16: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_6R!H-inRing + L17: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_6R!H-inRing_Ext-4R!H-R + L18: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_6R!H-inRing_Ext-4R!H-R_Sp-8R!H#4R!H + L19: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_6R!H-inRing_Ext-4R!H-R_Sp-8R!H#4R!H_Ext-7R!H-R + L20: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_6R!H-inRing_Ext-4R!H-R_Sp-8R!H#4R!H_Ext-7R!H-R_Sp-9R!H=7R!H + L20: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_6R!H-inRing_Ext-4R!H-R_Sp-8R!H#4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H + L18: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_6R!H-inRing_Ext-4R!H-R_N-Sp-8R!H#4R!H + L19: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_6R!H-inRing_Ext-4R!H-R_N-Sp-8R!H#4R!H_Ext-7R!H-R + L17: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_6R!H-inRing_7R!H-inRing + L17: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_6R!H-inRing_N-7R!H-inRing + L16: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_N-6R!H-inRing + L17: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_N-6R!H-inRing_7R!H-inRing + L17: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing + L18: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing_Ext-4R!H-R + L19: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing_Ext-4R!H-R_Sp-8R!H#4R!H + L20: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing_Ext-4R!H-R_Sp-8R!H#4R!H_Ext-7R!H-R + L21: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing_Ext-4R!H-R_Sp-8R!H#4R!H_Ext-7R!H-R_Sp-9R!H=7R!H + L21: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing_Ext-4R!H-R_Sp-8R!H#4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H + L19: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing_Ext-4R!H-R_N-Sp-8R!H#4R!H + L20: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing_Ext-4R!H-R_N-Sp-8R!H#4R!H_Ext-7R!H-R + L15: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_6R!H-inRing + L16: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_6R!H-inRing_Ext-4R!H-R + L17: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_6R!H-inRing_Ext-4R!H-R_Sp-7R!H=4R!H + L17: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_6R!H-inRing_Ext-4R!H-R_N-Sp-7R!H=4R!H + L15: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_N-6R!H-inRing + L16: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_N-6R!H-inRing_Ext-4R!H-R + L17: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_N-6R!H-inRing_Ext-4R!H-R_Ext-4R!H-R + L17: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_N-6R!H-inRing_Ext-4R!H-R_Sp-7R!H=4R!H + L17: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_N-6R!H-inRing_Ext-4R!H-R_N-Sp-7R!H=4R!H + L14: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_N-Sp-4R!H-1COS + L13: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_4R!H->O + L13: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O + L14: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R + L15: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R + L16: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_Sp-7R!H=4C + L17: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_Sp-7R!H=4C_Sp-6R!H=5R!H + L18: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_Sp-7R!H=4C_Sp-6R!H=5R!H_Ext-1COS-R + L19: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_Sp-7R!H=4C_Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R + L20: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_Sp-7R!H=4C_Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R_Sp-9R!H=8R!H + L20: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_Sp-7R!H=4C_Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R_N-Sp-9R!H=8R!H + L17: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_Sp-7R!H=4C_N-Sp-6R!H=5R!H + L18: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_Sp-7R!H=4C_N-Sp-6R!H=5R!H_Ext-1COS-R + L19: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_Sp-7R!H=4C_N-Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R + L20: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_Sp-7R!H=4C_N-Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R_Sp-9R!H=8R!H + L20: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_Sp-7R!H=4C_N-Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R_N-Sp-9R!H=8R!H + L16: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_N-Sp-7R!H=4C + L17: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_N-Sp-7R!H=4C_Sp-6R!H=5R!H + L18: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_N-Sp-7R!H=4C_Sp-6R!H=5R!H_Ext-1COS-R + L19: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_N-Sp-7R!H=4C_Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R + L17: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_N-Sp-7R!H=4C_N-Sp-6R!H=5R!H + L18: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_N-Sp-7R!H=4C_N-Sp-6R!H=5R!H_Ext-1COS-R + L19: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_N-Sp-7R!H=4C_N-Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R + L15: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Sp-6R!H=5R!H + L16: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1COS-R + L17: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1COS-R_7R!H-inRing + L17: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1COS-R_N-7R!H-inRing + L15: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_N-Sp-6R!H=5R!H + L16: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1COS-R + L17: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1COS-R_7R!H-inRing + L17: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1COS-R_N-7R!H-inRing + L14: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS + L15: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C + L16: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C_Ext-1COS-R + L17: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C_Ext-1COS-R_6R!H-inRing + L17: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C_Ext-1COS-R_N-6R!H-inRing + L18: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C_Ext-1COS-R_N-6R!H-inRing_Ext-4C-R + L19: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C_Ext-1COS-R_N-6R!H-inRing_Ext-4C-R_Sp-7R!H#4C + L20: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C_Ext-1COS-R_N-6R!H-inRing_Ext-4C-R_Sp-7R!H#4C_Ext-6R!H-R + L21: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C_Ext-1COS-R_N-6R!H-inRing_Ext-4C-R_Sp-7R!H#4C_Ext-6R!H-R_Sp-8R!H=6R!H + L21: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C_Ext-1COS-R_N-6R!H-inRing_Ext-4C-R_Sp-7R!H#4C_Ext-6R!H-R_N-Sp-8R!H=6R!H + L19: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C_Ext-1COS-R_N-6R!H-inRing_Ext-4C-R_N-Sp-7R!H#4C + L20: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C_Ext-1COS-R_N-6R!H-inRing_Ext-4C-R_N-Sp-7R!H#4C_Ext-6R!H-R + L16: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C_Ext-4C-R + L17: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C_Ext-4C-R_Sp-6R!H=4C + L17: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C_Ext-4C-R_N-Sp-6R!H=4C + L18: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C_Ext-4C-R_N-Sp-6R!H=4C_Ext-4C-R + L15: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_N-5R!H->C + L14: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_N-Sp-4C-1COS + L12: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS + L13: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS_Sp-4R!H-1COS + L14: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS_Sp-4R!H-1COS_Ext-4R!H-R + L15: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS_Sp-4R!H-1COS_Ext-4R!H-R_Sp-6R!H=4R!H + L16: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS_Sp-4R!H-1COS_Ext-4R!H-R_Sp-6R!H=4R!H_Ext-1COS-R + L17: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS_Sp-4R!H-1COS_Ext-4R!H-R_Sp-6R!H=4R!H_Ext-1COS-R_Ext-7R!H-R + L18: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS_Sp-4R!H-1COS_Ext-4R!H-R_Sp-6R!H=4R!H_Ext-1COS-R_Ext-7R!H-R_Sp-8R!H=7R!H + L18: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS_Sp-4R!H-1COS_Ext-4R!H-R_Sp-6R!H=4R!H_Ext-1COS-R_Ext-7R!H-R_N-Sp-8R!H=7R!H + L15: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS_Sp-4R!H-1COS_Ext-4R!H-R_N-Sp-6R!H=4R!H + L16: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS_Sp-4R!H-1COS_Ext-4R!H-R_N-Sp-6R!H=4R!H_Ext-1COS-R + L17: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS_Sp-4R!H-1COS_Ext-4R!H-R_N-Sp-6R!H=4R!H_Ext-1COS-R_Ext-7R!H-R + L14: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS_Sp-4R!H-1COS_Ext-1COS-R + L15: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS_Sp-4R!H-1COS_Ext-1COS-R_6R!H-inRing + L15: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS_Sp-4R!H-1COS_Ext-1COS-R_N-6R!H-inRing + L13: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS_N-Sp-4R!H-1COS + L11: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_Ext-1COS-R + L12: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_Ext-1COS-R_Ext-4R!H-R + L13: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_Ext-1COS-R_Ext-4R!H-R_Sp-7R!H#4R!H + L14: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_Ext-1COS-R_Ext-4R!H-R_Sp-7R!H#4R!H_Ext-6R!H-R + L15: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_Ext-1COS-R_Ext-4R!H-R_Sp-7R!H#4R!H_Ext-6R!H-R_Sp-8R!H=6R!H + L15: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_Ext-1COS-R_Ext-4R!H-R_Sp-7R!H#4R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H + L13: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_Ext-1COS-R_Ext-4R!H-R_N-Sp-7R!H#4R!H + L14: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_Ext-1COS-R_Ext-4R!H-R_N-Sp-7R!H#4R!H_Ext-6R!H-R + L12: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_Ext-1COS-R_6R!H-inRing + L12: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_Ext-1COS-R_N-6R!H-inRing + L11: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_Sp-4R!H-1COS + L12: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_Sp-4R!H-1COS_Ext-4R!H-R + L13: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_Sp-4R!H-1COS_Ext-4R!H-R_Sp-6R!H=4R!H + L13: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_Sp-4R!H-1COS_Ext-4R!H-R_N-Sp-6R!H=4R!H + L11: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-Sp-4R!H-1COS + L12: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-Sp-4R!H-1COS_Ext-4R!H-R + L10: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS + L11: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_5R!H-inRing + L12: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_5R!H-inRing_Ext-4R!H-R + L11: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing + L12: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-5R!H-R + L13: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-5R!H-R_Sp-6R!H=5R!H + L14: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-4R!H-R + L15: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-4R!H-R_Sp-7R!H=4R!H + L15: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H + L13: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H + L14: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R + L15: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R_Ext-7R!H-R + L16: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R_Ext-7R!H-R_Sp-7R!H-4R!H + L16: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R_Ext-7R!H-R_N-Sp-7R!H-4R!H + L15: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R_Sp-7R!H=4R!H + L15: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H + L12: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-4R!H-R + L13: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-4R!H-R_Sp-6R!H=4R!H + L13: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-4R!H-R_N-Sp-6R!H=4R!H + L9: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_2COS->O + L10: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_2COS->O_Ext-4R!H-R + L11: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_2COS->O_Ext-4R!H-R_Sp-5R!H=4R!H + L12: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_2COS->O_Ext-4R!H-R_Sp-5R!H=4R!H_Ext-1COS-R + L11: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_2COS->O_Ext-4R!H-R_N-Sp-5R!H=4R!H + L12: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_2COS->O_Ext-4R!H-R_N-Sp-5R!H=4R!H_Ext-1COS-R + L10: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_2COS->O_Sp-4R!H-1COS + L10: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_2COS->O_N-Sp-4R!H-1COS + L11: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_2COS->O_N-Sp-4R!H-1COS_4R!H->C + L11: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_2COS->O_N-Sp-4R!H-1COS_N-4R!H->C + L9: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O + L10: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_4R!H->N + L10: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N + L11: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R + L12: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_Sp-5R!H-4COS + L13: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_Sp-5R!H-4COS_Ext-4COS-R + L14: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_Sp-5R!H-4COS_Ext-4COS-R_Sp-6R!H-4COS + L14: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_Sp-5R!H-4COS_Ext-4COS-R_N-Sp-6R!H-4COS + L13: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_Sp-5R!H-4COS_5R!H-inRing + L14: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_Sp-5R!H-4COS_5R!H-inRing_Sp-2CS=1CCOSS + L14: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_Sp-5R!H-4COS_5R!H-inRing_N-Sp-2CS=1CCOSS + L13: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_Sp-5R!H-4COS_N-5R!H-inRing + L14: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_Sp-5R!H-4COS_N-5R!H-inRing_Ext-5R!H-R + L15: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_Sp-5R!H-4COS_N-5R!H-inRing_Ext-5R!H-R_Sp-2CS=1CCOSS + L16: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_Sp-5R!H-4COS_N-5R!H-inRing_Ext-5R!H-R_Sp-2CS=1CCOSS_Ext-6R!H-R + L15: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_Sp-5R!H-4COS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-2CS=1CCOSS + L14: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_Sp-5R!H-4COS_N-5R!H-inRing_5R!H->C + L14: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_Sp-5R!H-4COS_N-5R!H-inRing_N-5R!H->C + L12: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS + L13: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS + L14: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_Sp-2CS=1CCOSS + L15: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_Sp-2CS=1CCOSS_Sp-5R!H=4COS + L16: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_Sp-2CS=1CCOSS_Sp-5R!H=4COS_Ext-1COS-R + L17: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_Sp-2CS=1CCOSS_Sp-5R!H=4COS_Ext-1COS-R_Ext-6R!H-R + L18: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_Sp-2CS=1CCOSS_Sp-5R!H=4COS_Ext-1COS-R_Ext-6R!H-R_Sp-7R!H=6R!H + L18: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_Sp-2CS=1CCOSS_Sp-5R!H=4COS_Ext-1COS-R_Ext-6R!H-R_N-Sp-7R!H=6R!H + L15: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_Sp-2CS=1CCOSS_N-Sp-5R!H=4COS + L16: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_Sp-2CS=1CCOSS_N-Sp-5R!H=4COS_Ext-1COS-R + L17: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_Sp-2CS=1CCOSS_N-Sp-5R!H=4COS_Ext-1COS-R_6R!H-inRing + L17: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_Sp-2CS=1CCOSS_N-Sp-5R!H=4COS_Ext-1COS-R_N-6R!H-inRing + L18: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_Sp-2CS=1CCOSS_N-Sp-5R!H=4COS_Ext-1COS-R_N-6R!H-inRing_Ext-6R!H-R + L14: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_N-Sp-2CS=1CCOSS + L15: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_N-Sp-2CS=1CCOSS_Sp-5R!H=4COS + L16: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_N-Sp-2CS=1CCOSS_Sp-5R!H=4COS_Ext-5R!H-R + L17: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_N-Sp-2CS=1CCOSS_Sp-5R!H=4COS_Ext-5R!H-R_6R!H-inRing + L17: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_N-Sp-2CS=1CCOSS_Sp-5R!H=4COS_Ext-5R!H-R_N-6R!H-inRing + L18: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_N-Sp-2CS=1CCOSS_Sp-5R!H=4COS_Ext-5R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-7R!H-6R!H + L18: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_N-Sp-2CS=1CCOSS_Sp-5R!H=4COS_Ext-5R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-7R!H-6R!H + L15: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_N-Sp-2CS=1CCOSS_N-Sp-5R!H=4COS + L13: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_N-Sp-4COS-1CCOOSS + L11: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_4COS->C + L12: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_4COS->C_2CS->C + L13: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_4COS->C_2CS->C_Sp-2C=1COS + L14: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_4COS->C_2CS->C_Sp-2C=1COS_Sp-4C-1COS + L15: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_4COS->C_2CS->C_Sp-2C=1COS_Sp-4C-1COS_Ext-1COS-R + L16: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_4COS->C_2CS->C_Sp-2C=1COS_Sp-4C-1COS_Ext-1COS-R_5R!H-inRing + L16: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_4COS->C_2CS->C_Sp-2C=1COS_Sp-4C-1COS_Ext-1COS-R_N-5R!H-inRing + L14: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_4COS->C_2CS->C_Sp-2C=1COS_N-Sp-4C-1COS + L13: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_4COS->C_2CS->C_N-Sp-2C=1COS + L12: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_4COS->C_N-2CS->C + L13: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_4COS->C_N-2CS->C_Ext-1COS-R + L14: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_4COS->C_N-2CS->C_Ext-1COS-R_5R!H->O + L14: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_4COS->C_N-2CS->C_Ext-1COS-R_N-5R!H->O + L11: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_N-4COS->C + L12: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_N-4COS->C_Sp-4OS-1COOSS + L12: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_N-4COS->C_N-Sp-4OS-1COOSS + L13: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_N-4COS->C_N-Sp-4OS-1COOSS_2CS->C + L13: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_N-4COS->C_N-Sp-4OS-1COOSS_N-2CS->C + L8: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_N-4R!H-u0 + L9: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_N-4R!H-u0_Ext-2COS-R + L7: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_Sp-5R!H-4R!H + L8: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_Sp-5R!H-4R!H_Sp-2COS=1CCOOSS + L9: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_Sp-5R!H-4R!H_Sp-2COS=1CCOOSS_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R + L10: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_Sp-5R!H-4R!H_Sp-2COS=1CCOOSS_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_1COS-inRing + L10: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_Sp-5R!H-4R!H_Sp-2COS=1CCOOSS_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_N-1COS-inRing + L8: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_Sp-5R!H-4R!H_N-Sp-2COS=1CCOOSS + L7: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H + L8: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_1COS-inRing + L9: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Int-7R!H-6R!H_Sp-7R!H-6R!H + L9: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Int-7R!H-6R!H_N-Sp-7R!H-6R!H + L10: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Int-7R!H-6R!H_N-Sp-7R!H-6R!H_Ext-1COS-R + L8: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing + L9: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Sp-7R!H=6R!H + L9: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H + L10: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R + L11: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_Ext-2COS-R + L12: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_Ext-2COS-R_Ext-8R!H-R + L13: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_Ext-2COS-R_Ext-8R!H-R_Sp-10R!H#8R!H + L14: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_Ext-2COS-R_Ext-8R!H-R_Sp-10R!H#8R!H_Ext-9R!H-R + L15: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_Ext-2COS-R_Ext-8R!H-R_Sp-10R!H#8R!H_Ext-9R!H-R_Sp-11R!H=9R!H + L15: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_Ext-2COS-R_Ext-8R!H-R_Sp-10R!H#8R!H_Ext-9R!H-R_N-Sp-11R!H=9R!H + L13: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_Ext-2COS-R_Ext-8R!H-R_8R!H-inRing + L13: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_Ext-2COS-R_Ext-8R!H-R_N-8R!H-inRing + L14: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_Ext-2COS-R_Ext-8R!H-R_N-8R!H-inRing_Ext-9R!H-R + L11: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_8R!H-inRing + L11: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_N-8R!H-inRing + L12: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_N-8R!H-inRing_Ext-8R!H-R + L13: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_N-8R!H-inRing_Ext-8R!H-R_Sp-9R!H=8R!H + L14: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_N-8R!H-inRing_Ext-8R!H-R_Sp-9R!H=8R!H_Sp-2COS=1CCOOSS + L14: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_N-8R!H-inRing_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-2COS=1CCOOSS + L13: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_N-8R!H-inRing_Ext-8R!H-R_N-Sp-9R!H=8R!H + L12: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_N-8R!H-inRing_Sp-2COS=1CCOOSS + L13: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_N-8R!H-inRing_Sp-2COS=1CCOOSS_Sp-8R!H-2COS + L13: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_N-8R!H-inRing_Sp-2COS=1CCOOSS_N-Sp-8R!H-2COS + L12: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_N-8R!H-inRing_N-Sp-2COS=1CCOOSS + L10: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Sp-2COS=1CCOOSS + L10: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_N-Sp-2COS=1CCOOSS + L11: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_N-Sp-2COS=1CCOOSS_Ext-5R!H-R + L12: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_N-Sp-2COS=1CCOOSS_Ext-5R!H-R_Ext-6R!H-R + L13: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_N-Sp-2COS=1CCOOSS_Ext-5R!H-R_Ext-6R!H-R_Ext-9R!H-R_Ext-9R!H-R + L6: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_2COS->O + L6: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O + L7: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_1COS->O + L8: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_1COS->O_2CS->C + L9: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_1COS->O_2CS->C_Ext-2C-R + L10: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_1COS->O_2CS->C_Ext-2C-R_Ext-2C-R + L11: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_1COS->O_2CS->C_Ext-2C-R_Ext-2C-R_Ext-4R!H-R + L12: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_1COS->O_2CS->C_Ext-2C-R_Ext-2C-R_Ext-4R!H-R_Sp-6R!H=4R!H + L12: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_1COS->O_2CS->C_Ext-2C-R_Ext-2C-R_Ext-4R!H-R_N-Sp-6R!H=4R!H + L10: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_1COS->O_2CS->C_Ext-2C-R_Ext-4R!H-R + L11: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_1COS->O_2CS->C_Ext-2C-R_Ext-4R!H-R_Sp-5R!H=4R!H + L11: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_1COS->O_2CS->C_Ext-2C-R_Ext-4R!H-R_N-Sp-5R!H=4R!H + L8: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_1COS->O_N-2CS->C + L7: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O + L8: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS + L9: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C + L10: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R + L11: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C + L12: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_4R!H->O + L13: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_4R!H->O_1CS->C + L13: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_4R!H->O_N-1CS->C + L12: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O + L13: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_4C-inRing + L14: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_4C-inRing_Ext-4C-R_Sp-5R!H-4C + L14: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_4C-inRing_Ext-4C-R_N-Sp-5R!H-4C + L15: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_4C-inRing_Ext-4C-R_N-Sp-5R!H-4C_Ext-2C-R + L13: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing + L14: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-2C-R + L15: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-2C-R_Ext-4C-R + L16: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-2C-R_Ext-4C-R_Ext-6R!H-R + L17: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-2C-R_Ext-4C-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R + L16: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-2C-R_Ext-4C-R_Sp-6R!H#4C + L17: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-2C-R_Ext-4C-R_Sp-6R!H#4C_Ext-5R!H-R + L18: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-2C-R_Ext-4C-R_Sp-6R!H#4C_Ext-5R!H-R_Sp-7R!H=5R!H + L18: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-2C-R_Ext-4C-R_Sp-6R!H#4C_Ext-5R!H-R_N-Sp-7R!H=5R!H + L16: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-2C-R_Ext-4C-R_N-Sp-6R!H#4C + L17: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-2C-R_Ext-4C-R_N-Sp-6R!H#4C_Ext-5R!H-R + L14: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-4C-R + L15: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-4C-R_N-Sp-5R!H-4C + L16: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-4C-R_N-Sp-5R!H-4C_Ext-5R!H-R + L16: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-4C-R_N-Sp-5R!H-4C_Sp-5R!H=4C + L16: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-4C-R_N-Sp-5R!H-4C_N-Sp-5R!H=4C + L15: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-4C-R_5R!H-inRing + L15: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-4C-R_N-5R!H-inRing + L16: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-4C-R_N-5R!H-inRing_5R!H->C + L16: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-4C-R_N-5R!H-inRing_N-5R!H->C + L11: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_N-Sp-4R!H-2C + L12: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_N-Sp-4R!H-2C_Ext-4R!H-R + L13: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_N-Sp-4R!H-2C_Ext-4R!H-R_5R!H-inRing + L13: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_N-Sp-4R!H-2C_Ext-4R!H-R_N-5R!H-inRing + L12: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_N-Sp-4R!H-2C_4R!H->C + L12: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_N-Sp-4R!H-2C_N-4R!H->C + L10: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_1CS->C + L10: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_N-1CS->C + L9: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_N-2CS->C + L8: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_N-Sp-2CS=1CCSS + L9: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R + L10: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_Ext-4R!H-R + L11: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_Ext-4R!H-R_5R!H-inRing + L11: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_Ext-4R!H-R_N-5R!H-inRing + L12: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_Ext-4R!H-R_N-5R!H-inRing_Ext-5R!H-R + L12: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_Ext-4R!H-R_N-5R!H-inRing_Sp-5R!H=4R!H + L12: Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_Ext-4R!H-R_N-5R!H-inRing_N-Sp-5R!H=4R!H + L2: Root_3R-inRing + L3: Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R + L4: Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_4R!H->O + L4: Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_N-4R!H->O + L5: Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_N-4R!H->O_1R!H-inRing + L6: Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_N-4R!H->O_1R!H-inRing_Ext-4C-R_Ext-5R!H-R_Ext-5R!H-R_Ext-5R!H-R_Ext-5R!H-R_Sp-6R!H-5R!H + L6: Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_N-4R!H->O_1R!H-inRing_Ext-4C-R_Ext-5R!H-R_Ext-5R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-6R!H-5R!H + L5: Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_N-4R!H->O_N-1R!H-inRing + L6: Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_N-4R!H->O_N-1R!H-inRing_Sp-2R!H=1R!H + L6: Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_N-4R!H->O_N-1R!H-inRing_N-Sp-2R!H=1R!H + L3: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R + L4: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R + L5: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing + L6: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R + L7: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_1R!H-inRing + L7: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing + L8: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R + L9: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R + L10: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing + L11: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R + L10: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing + L11: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R + L12: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R + L12: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-8R!H=7R!H + L12: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-8R!H=7R!H + L11: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H + L11: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H + L9: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-2R!H-R + L9: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Sp-7R!H-2R!H + L9: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_N-Sp-7R!H-2R!H + L6: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R + L7: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R + L8: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_6R!H-inRing + L9: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-2R!H-R + L8: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_N-6R!H-inRing + L9: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R + L10: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R_Ext-10R!H-R + L10: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R_Sp-9R!H=6R!H + L10: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R_N-Sp-9R!H=6R!H + L9: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_N-6R!H-inRing_Sp-9R!H=6R!H + L9: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-9R!H=6R!H + L7: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Sp-6R!H=2R!H + L7: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_N-Sp-6R!H=2R!H + L8: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_N-Sp-6R!H=2R!H_1R!H-inRing + L8: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_N-Sp-6R!H=2R!H_N-1R!H-inRing + L9: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_N-Sp-6R!H=2R!H_N-1R!H-inRing_Ext-2R!H-R + L5: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing + L6: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R + L7: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R + L8: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R + L9: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing + L10: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R + L11: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R + L12: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R + L12: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H + L12: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H + L10: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R + L11: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_Ext-6R!H-R + L11: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_Sp-9R!H=5R!H + L11: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_N-Sp-9R!H=5R!H + L9: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing + L10: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R + L11: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R + L12: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R + L13: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R_Ext-6R!H-R + L13: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R_Sp-11R!H=5R!H + L13: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R_N-Sp-11R!H=5R!H + L11: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R + L12: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R + L13: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R_Sp-8R!H=7R!H + L13: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R_N-Sp-8R!H=7R!H + L12: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H + L13: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H_Sp-8R!H=7R!H + L13: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H_N-Sp-8R!H=7R!H + L12: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H + L13: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_Sp-8R!H=7R!H + L13: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_N-Sp-8R!H=7R!H + L11: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-8R!H=7R!H + L11: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-8R!H=7R!H + L10: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H + L11: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R + L12: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R + L12: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_Sp-9R!H=5R!H + L12: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H + L10: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H + L11: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R + L12: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R + L12: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_Sp-9R!H=5R!H + L12: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H + L8: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R + L9: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R + L10: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R + L10: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R_Sp-9R!H=5R!H + L10: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R_N-Sp-9R!H=5R!H + L8: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H + L9: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R + L10: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R + L10: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R_Sp-8R!H=5R!H + L10: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H + L8: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H + L9: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R + L10: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R + L10: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Sp-8R!H=5R!H + L10: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H + L7: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R + L8: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R_Ext-6R!H-R + L8: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R_Sp-7R!H=5R!H + L8: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R_N-Sp-7R!H=5R!H + L6: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R + L7: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing + L8: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing_Ext-2R!H-R + L9: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-5R!H-R + L10: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-8R!H=5R!H + L10: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-8R!H=5R!H + L8: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing_Ext-5R!H-R + L9: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing_Ext-5R!H-R_Sp-7R!H=5R!H + L9: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing_Ext-5R!H-R_N-Sp-7R!H=5R!H + L7: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing + L8: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R + L9: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H + L10: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R + L11: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R + L12: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Ext-5R!H-R + L13: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H + L13: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H + L11: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R + L12: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-9R!H=5R!H + L13: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-9R!H=5R!H_Sp-7R!H=6R!H + L13: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-9R!H=5R!H_N-Sp-7R!H=6R!H + L12: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-9R!H=5R!H + L13: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_Sp-7R!H=6R!H + L13: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_N-Sp-7R!H=6R!H + L11: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-7R!H=6R!H + L11: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-7R!H=6R!H + L10: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-5R!H-R + L11: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-5R!H-R_Sp-8R!H=5R!H + L12: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-5R!H-R_Sp-8R!H=5R!H_Sp-7R!H=6R!H + L12: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-5R!H-R_Sp-8R!H=5R!H_N-Sp-7R!H=6R!H + L11: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H + L12: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_Sp-7R!H=6R!H + L12: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_N-Sp-7R!H=6R!H + L10: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Sp-7R!H=6R!H + L10: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_N-Sp-7R!H=6R!H + L9: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H + L10: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_Sp-7R!H=6R!H + L11: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_Sp-7R!H=6R!H_Ext-5R!H-R + L12: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H + L12: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H + L10: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_N-Sp-7R!H=6R!H + L11: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_N-Sp-7R!H=6R!H_Ext-5R!H-R + L12: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_N-Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H + L12: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_N-Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H + L8: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H + L9: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H + L10: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-2R!H-R + L11: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-2R!H-R_Ext-5R!H-R + L12: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-8R!H=5R!H + L12: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-8R!H=5R!H + L10: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-5R!H-R + L11: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H + L12: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H_Sp-6R!H-2R!H + L12: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H_N-Sp-6R!H-2R!H + L11: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H + L12: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H_Sp-6R!H-2R!H + L12: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H_N-Sp-6R!H-2R!H + L10: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Sp-6R!H-2R!H + L10: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_N-Sp-6R!H-2R!H + L9: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H-1R!H + L10: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H-1R!H_Ext-2R!H-R + L8: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_N-Sp-2R!H=1R!H + L9: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_N-Sp-2R!H=1R!H_Ext-5R!H-R + L10: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_N-Sp-2R!H=1R!H_Ext-5R!H-R_Sp-7R!H=5R!H + L10: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_N-Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H + L6: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H + L7: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Sp-2R!H=1R!H + L8: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Sp-2R!H=1R!H_Ext-5R!H-R + L9: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Sp-2R!H=1R!H_Ext-5R!H-R_Sp-6R!H=5R!H + L9: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H + L7: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_N-Sp-2R!H=1R!H + L8: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_N-Sp-2R!H=1R!H_Ext-5R!H-R + L9: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_N-Sp-2R!H=1R!H_Ext-5R!H-R_Sp-6R!H=5R!H + L9: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_N-Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H + L6: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_N-Sp-5R!H-1R!H + L4: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R + L5: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R + L6: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_5R!H-inRing + L7: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_5R!H-inRing_Ext-2R!H-R + L6: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing + L7: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2R!H-R + L8: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2R!H-R_Ext-7R!H-R + L8: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2R!H-R_Sp-6R!H=5R!H + L8: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-Sp-6R!H=5R!H + L7: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H + L8: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_Sp-6R!H=5R!H + L8: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_N-Sp-6R!H=5R!H + L7: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H + L8: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Sp-6R!H=5R!H + L8: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-6R!H=5R!H + L5: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Sp-5R!H-2R!H + L6: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Sp-5R!H-2R!H_Sp-2R!H=1R!H + L7: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Sp-5R!H-2R!H_Sp-2R!H=1R!H_Ext-2R!H-R + L6: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Sp-5R!H-2R!H_N-Sp-2R!H=1R!H + L5: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-2R!H + L4: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_Sp-5R!H-4R!H + L5: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_Sp-6R!H=5R!H + L5: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H + L4: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_N-Sp-5R!H-4R!H + L5: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-4R!H-R + L6: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R + L5: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-2R!H=1R!H + L5: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-Sp-2R!H=1R!H + L2: Root_N-3R-inRing + L3: Root_N-3R-inRing_Ext-3R-R + L4: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R + L5: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R + L6: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R + L7: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R + L8: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-1R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-1R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-1R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-1R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-11R!H=10R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-11R!H=10R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Sp-11R!H=10R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-Sp-11R!H=10R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-1R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-1R!H-R_Sp-11R!H=10R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-1R!H-R_N-Sp-11R!H=10R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-1R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-1R!H-R_Sp-10R!H-2R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-1R!H-R_N-Sp-10R!H-2R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-2R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Sp-10R!H-2R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-Sp-10R!H-2R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-1R!H-R + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-1R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-10R!H=9R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-10R!H=9R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Sp-10R!H=9R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-Sp-10R!H=9R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_Sp-10R!H=9R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_N-Sp-10R!H=9R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-9R!H-2R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-9R!H-2R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-2R!H-R + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Sp-9R!H-2R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-9R!H-2R!H + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-1R!H-R + L8: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-2R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-14R!H=8R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-14R!H=8R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-8R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-8R!H-R_Ext-9R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-13R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-13R!H-R_Ext-8R!H-R + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-13R!H-R_Ext-8R!H-R_Ext-9R!H-R + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-13R!H-R_Ext-8R!H-R_Sp-15R!H=8R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-13R!H-R_Ext-8R!H-R_N-Sp-15R!H=8R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-12R!H=11R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-12R!H=11R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-14R!H=8R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-14R!H=8R!H_Sp-12R!H=11R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-14R!H=8R!H_N-Sp-12R!H=11R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-14R!H=8R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-14R!H=8R!H_Sp-12R!H=11R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-14R!H=8R!H_N-Sp-12R!H=11R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Sp-12R!H=11R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_N-Sp-12R!H=11R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Sp-12R!H=11R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Sp-12R!H=11R!H_Ext-8R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Sp-12R!H=11R!H_Ext-8R!H-R_Ext-9R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Sp-12R!H=11R!H_Ext-8R!H-R_Sp-13R!H=8R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Sp-12R!H=11R!H_Ext-8R!H-R_N-Sp-13R!H=8R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_N-Sp-12R!H=11R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_N-Sp-12R!H=11R!H_Ext-8R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_N-Sp-12R!H=11R!H_Ext-8R!H-R_Ext-9R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_N-Sp-12R!H=11R!H_Ext-8R!H-R_Sp-13R!H=8R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_N-Sp-12R!H=11R!H_Ext-8R!H-R_N-Sp-13R!H=8R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-2R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-11R!H-2R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-11R!H-2R!H_Ext-8R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-11R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-11R!H-2R!H_Ext-8R!H-R_Sp-12R!H=8R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-11R!H-2R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_N-Sp-11R!H-2R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_N-Sp-11R!H-2R!H_Ext-8R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_N-Sp-11R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_N-Sp-11R!H-2R!H_Ext-8R!H-R_Sp-12R!H=8R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_N-Sp-11R!H-2R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-8R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-8R!H-R_Ext-9R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-8R!H-R_Sp-11R!H=8R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-8R!H-R_N-Sp-11R!H=8R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R_Ext-9R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R_Sp-12R!H=8R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R_N-Sp-12R!H=8R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_Ext-9R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_Sp-14R!H=8R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_N-Sp-14R!H=8R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-11R!H=10R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-11R!H=10R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_Sp-11R!H=10R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_N-Sp-11R!H=10R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_Sp-11R!H=10R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_N-Sp-11R!H=10R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Sp-11R!H=10R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-Sp-11R!H=10R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-10R!H-2R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-10R!H-2R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-8R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-8R!H-R_Ext-9R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-8R!H-R_Sp-10R!H=8R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-8R!H-R_N-Sp-10R!H=8R!H + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing_Ext-2R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing_Ext-8R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing_Ext-8R!H-R_Sp-11R!H=8R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing_Ext-8R!H-R_N-Sp-11R!H=8R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-12R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_Sp-14R!H=8R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_N-Sp-14R!H=8R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_Sp-11R!H=10R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_N-Sp-11R!H=10R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_Sp-11R!H=10R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_N-Sp-11R!H=10R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-11R!H=10R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-11R!H=10R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-12R!H=8R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-12R!H=8R!H_Sp-11R!H=10R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-12R!H=8R!H_N-Sp-11R!H=10R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H_Sp-11R!H=10R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H_N-Sp-11R!H=10R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Sp-11R!H=10R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_N-Sp-11R!H=10R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_Sp-11R!H=10R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_Sp-11R!H=10R!H_Ext-8R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_N-Sp-11R!H=10R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_N-Sp-11R!H=10R!H_Ext-8R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_N-Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_N-Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-11R!H=8R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_Sp-10R!H-2R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-Sp-10R!H-2R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_Sp-10R!H-2R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-Sp-10R!H-2R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Sp-10R!H-2R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_N-Sp-10R!H-2R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_Ext-2R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_N-Sp-2R!H=1R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Sp-2R!H=1R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Sp-2R!H=1R!H_Sp-8R!H-1R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_N-Sp-2R!H=1R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_N-Sp-2R!H=1R!H_Ext-8R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-10R!H=8R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_Sp-10R!H=8R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_N-Sp-10R!H=8R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_Sp-10R!H=9R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_N-Sp-10R!H=9R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_Sp-10R!H=9R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_N-Sp-10R!H=9R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-10R!H=9R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-10R!H=9R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_Sp-10R!H=9R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-Sp-10R!H=9R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_Sp-10R!H=9R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-Sp-10R!H=9R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Sp-10R!H=9R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_N-Sp-10R!H=9R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_Sp-9R!H-2R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_N-Sp-9R!H-2R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_Sp-9R!H-2R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_N-Sp-9R!H-2R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Sp-9R!H-2R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_N-Sp-9R!H-2R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_Ext-2R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-10R!H=8R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-9R!H=8R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-9R!H=8R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H + L7: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R + L8: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-10R!H=9R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-10R!H=9R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-10R!H=9R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-10R!H=9R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-2R!H=1R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-2R!H=1R!H_Sp-9R!H-2R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-2R!H=1R!H_N-Sp-9R!H-2R!H + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_N-Sp-2R!H=1R!H + L8: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Sp-2R!H=1R!H + L8: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_N-Sp-2R!H=1R!H + L7: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Sp-5R!H#4R!H + L8: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Sp-5R!H#4R!H_Sp-6R!H-3R + L8: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Sp-5R!H#4R!H_N-Sp-6R!H-3R + L7: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H + L8: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-10R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-9R!H=8R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-9R!H=8R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Sp-9R!H=8R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_N-Sp-9R!H=8R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Sp-9R!H=8R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-9R!H=8R!H + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Sp-2R!H=1R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_Sp-8R!H-2R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_N-Sp-8R!H-2R!H + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_N-Sp-2R!H=1R!H + L8: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Sp-2R!H=1R!H + L8: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_N-Sp-2R!H=1R!H + L6: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R + L7: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R + L8: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-1R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-10R!H=9R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-10R!H=9R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Sp-10R!H=9R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-Sp-10R!H=9R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_Sp-10R!H=9R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_N-Sp-10R!H=9R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-9R!H-2R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-Sp-9R!H-2R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-1R!H-R + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-1R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-1R!H-R_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-1R!H-R_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_N-4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R_4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R_N-4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_N-4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing_Sp-10R!H=9R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing_N-Sp-10R!H=9R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing_Sp-10R!H=9R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing_N-Sp-10R!H=9R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_4R!H-inRing_Sp-10R!H=9R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H=9R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H=9R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H=9R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_4R!H-inRing_Sp-10R!H=9R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_4R!H-inRing_N-Sp-10R!H=9R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_N-4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_N-4R!H-inRing_Sp-10R!H=9R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_N-4R!H-inRing_N-Sp-10R!H=9R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_4R!H-inRing_Sp-10R!H=9R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_4R!H-inRing_N-Sp-10R!H=9R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-4R!H-inRing_Sp-10R!H=9R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-4R!H-inRing_N-Sp-10R!H=9R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing_Sp-9R!H-2R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing_N-Sp-9R!H-2R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing_Sp-9R!H-2R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing_N-Sp-9R!H-2R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_N-4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_Sp-9R!H-2R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-9R!H-2R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-9R!H-2R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-9R!H-2R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-1R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-1R!H-R_4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-1R!H-R_N-4R!H-inRing + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing + L8: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R_Ext-9R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R_Sp-12R!H=8R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R_N-Sp-12R!H=8R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_Ext-9R!H-R + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_Sp-14R!H=8R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_N-Sp-14R!H=8R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-11R!H=10R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-11R!H=10R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_Sp-11R!H=10R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_N-Sp-11R!H=10R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_Sp-11R!H=10R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_N-Sp-11R!H=10R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Sp-11R!H=10R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-Sp-11R!H=10R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-10R!H-2R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-10R!H-2R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-8R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-8R!H-R_Ext-9R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-8R!H-R_Sp-10R!H=8R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_4R!H-inRing_Ext-8R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_4R!H-inRing_Ext-8R!H-R_Sp-12R!H=8R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_4R!H-inRing_Ext-8R!H-R_N-Sp-12R!H=8R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_N-4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_N-4R!H-inRing_Ext-8R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_N-4R!H-inRing_Ext-8R!H-R_Sp-12R!H=8R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_N-4R!H-inRing_Ext-8R!H-R_N-Sp-12R!H=8R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_4R!H-inRing_Ext-8R!H-R + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_4R!H-inRing_Ext-8R!H-R_Sp-14R!H=8R!H + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_4R!H-inRing_Ext-8R!H-R_N-Sp-14R!H=8R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_N-4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_N-4R!H-inRing_Ext-8R!H-R + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_N-4R!H-inRing_Ext-8R!H-R_Sp-14R!H=8R!H + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_N-4R!H-inRing_Ext-8R!H-R_N-Sp-14R!H=8R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R_Sp-11R!H=10R!H + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R_N-Sp-11R!H=10R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H_Sp-11R!H=10R!H + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H_N-Sp-11R!H=10R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H_Sp-11R!H=10R!H + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H_N-Sp-11R!H=10R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Sp-11R!H=10R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_N-Sp-11R!H=10R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R_Sp-11R!H=10R!H + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R_N-Sp-11R!H=10R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H_Sp-11R!H=10R!H + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H_N-Sp-11R!H=10R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H_Sp-11R!H=10R!H + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H_N-Sp-11R!H=10R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Sp-11R!H=10R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_N-Sp-11R!H=10R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_Sp-11R!H=10R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_N-Sp-11R!H=10R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_Sp-11R!H=10R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_N-Sp-11R!H=10R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Sp-12R!H=8R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_N-Sp-12R!H=8R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_N-4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Sp-12R!H=8R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_N-Sp-12R!H=8R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_Sp-10R!H-2R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H-2R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H-2R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H-2R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing_Ext-8R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing_Ext-8R!H-R_Sp-10R!H=8R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing_Ext-8R!H-R_N-Sp-10R!H=8R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing_Ext-8R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing_Ext-8R!H-R_Sp-10R!H=8R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing_Ext-8R!H-R_N-Sp-10R!H=8R!H + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_Sp-10R!H=8R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_N-Sp-10R!H=8R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_Sp-10R!H=9R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_N-Sp-10R!H=9R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_Sp-10R!H=9R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_N-Sp-10R!H=9R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-10R!H=9R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-10R!H=9R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_Sp-10R!H=9R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-Sp-10R!H=9R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_Sp-10R!H=9R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-Sp-10R!H=9R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Sp-10R!H=9R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_N-Sp-10R!H=9R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_Sp-9R!H-2R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_N-Sp-9R!H-2R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_Sp-9R!H-2R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_N-Sp-9R!H-2R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Sp-9R!H-2R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_N-Sp-9R!H-2R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_Ext-2R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-10R!H=8R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-2R!H=1R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-9R!H=8R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-9R!H=8R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_4R!H-inRing_Sp-10R!H=8R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_4R!H-inRing_N-Sp-10R!H=8R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_N-4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_N-4R!H-inRing_Sp-10R!H=8R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_N-4R!H-inRing_N-Sp-10R!H=8R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_N-4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_4R!H-inRing + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_N-4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_4R!H-inRing + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_N-4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_N-4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_4R!H-inRing + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_4R!H-inRing_Sp-10R!H=9R!H + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_4R!H-inRing_N-Sp-10R!H=9R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_N-4R!H-inRing + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_N-4R!H-inRing_Sp-10R!H=9R!H + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_N-4R!H-inRing_N-Sp-10R!H=9R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_4R!H-inRing + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_4R!H-inRing_Sp-10R!H=9R!H + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_4R!H-inRing_N-Sp-10R!H=9R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_N-4R!H-inRing + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_N-4R!H-inRing_Sp-10R!H=9R!H + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_N-4R!H-inRing_N-Sp-10R!H=9R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing_Sp-10R!H=9R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H=9R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H=9R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H=9R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_4R!H-inRing_Sp-10R!H=9R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_4R!H-inRing_N-Sp-10R!H=9R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing_Sp-10R!H=9R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing_N-Sp-10R!H=9R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing_Sp-10R!H=9R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing_N-Sp-10R!H=9R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing_Sp-10R!H=9R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing_N-Sp-10R!H=9R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_4R!H-inRing_Sp-10R!H=9R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_4R!H-inRing_N-Sp-10R!H=9R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_N-4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_N-4R!H-inRing_Sp-10R!H=9R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_N-4R!H-inRing_N-Sp-10R!H=9R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H_4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_N-4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H_4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_N-4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H_4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_N-4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_4R!H-inRing_Sp-9R!H-2R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_4R!H-inRing_N-Sp-9R!H-2R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_N-4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_N-4R!H-inRing_Sp-9R!H-2R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_N-4R!H-inRing_N-Sp-9R!H-2R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_4R!H-inRing_Sp-9R!H-2R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_4R!H-inRing_N-Sp-9R!H-2R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_N-4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_N-4R!H-inRing_Sp-9R!H-2R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_N-4R!H-inRing_N-Sp-9R!H-2R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_4R!H-inRing_Sp-9R!H-2R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_4R!H-inRing_N-Sp-9R!H-2R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_N-4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_N-4R!H-inRing_Sp-9R!H-2R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_N-4R!H-inRing_N-Sp-9R!H-2R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_Ext-2R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_Ext-2R!H-R_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_Ext-2R!H-R_N-4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_N-4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-10R!H=8R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_N-4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_N-4R!H-inRing + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-9R!H=8R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-9R!H=8R!H_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-9R!H=8R!H_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_N-4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_N-4R!H-inRing + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-9R!H=8R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-9R!H=8R!H_4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-9R!H=8R!H_N-4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H_4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_N-4R!H-inRing + L7: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H + L8: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-10R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-9R!H=8R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-9R!H=8R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Sp-9R!H=8R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_N-Sp-9R!H=8R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Sp-9R!H=8R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-9R!H=8R!H + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_Sp-8R!H-2R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_N-Sp-8R!H-2R!H + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-2R!H=1R!H + L8: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H + L8: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H + L7: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H + L8: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-4R!H-inRing + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-10R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-10R!H-R_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-10R!H-R_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing_Sp-9R!H=8R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-9R!H=8R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-9R!H=8R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-9R!H=8R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_4R!H-inRing_Sp-9R!H=8R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_4R!H-inRing_N-Sp-9R!H=8R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_N-4R!H-inRing_Sp-9R!H=8R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_N-4R!H-inRing_N-Sp-9R!H=8R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Sp-9R!H=8R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Sp-9R!H=8R!H_4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Sp-9R!H=8R!H_N-4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-9R!H=8R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-9R!H=8R!H_4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-9R!H=8R!H_N-4R!H-inRing + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_4R!H-inRing_Sp-8R!H-2R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_4R!H-inRing_N-Sp-8R!H-2R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_N-4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_N-4R!H-inRing_Sp-8R!H-2R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_N-4R!H-inRing_N-Sp-8R!H-2R!H + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-2R!H=1R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-2R!H=1R!H_4R!H-inRing + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-2R!H=1R!H_N-4R!H-inRing + L8: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_4R!H-inRing + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-4R!H-inRing + L8: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_4R!H-inRing + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_N-4R!H-inRing + L6: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R + L7: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing + L8: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-1R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-1R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-9R!H=8R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-9R!H=8R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-9R!H=8R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-9R!H=8R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-9R!H=8R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-9R!H=8R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-9R!H=8R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-9R!H=8R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-8R!H-2R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-Sp-8R!H-2R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-8R!H-2R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H-2R!H + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-1R!H-R + L8: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-2R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-2R!H-R_4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-2R!H-R_N-4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-1R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-1R!H-R_4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-1R!H-R_N-4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_N-4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-12R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-12R!H-R_Ext-1R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-12R!H-R_Ext-1R!H-R_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-12R!H-R_Ext-1R!H-R_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-12R!H-R_4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-12R!H-R_N-4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing_Sp-11R!H=8R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing_N-Sp-11R!H=8R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing_Sp-11R!H=8R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing_N-Sp-11R!H=8R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_4R!H-inRing_Sp-11R!H=8R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_4R!H-inRing_N-Sp-11R!H=8R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-11R!H=8R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_N-4R!H-inRing_N-Sp-11R!H=8R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-1R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-1R!H-R_Sp-11R!H=8R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-1R!H-R_Sp-11R!H=8R!H_4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-1R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-1R!H-R_N-Sp-11R!H=8R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-1R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-1R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_1R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_N-1R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_N-1R!H-inRing_Sp-11R!H=8R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_N-1R!H-inRing_Sp-11R!H=8R!H_4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_N-1R!H-inRing_Sp-11R!H=8R!H_N-4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_N-1R!H-inRing_N-Sp-11R!H=8R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_N-1R!H-inRing_N-Sp-11R!H=8R!H_4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_N-1R!H-inRing_N-Sp-11R!H=8R!H_N-4R!H-inRing + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-8R!H-2R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-8R!H-2R!H_Ext-2R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-8R!H-2R!H_Ext-2R!H-R_4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-8R!H-2R!H_Ext-2R!H-R_N-4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-8R!H-2R!H_4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-8R!H-2R!H_N-4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-Sp-8R!H-2R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-Sp-8R!H-2R!H_4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-Sp-8R!H-2R!H_4R!H-inRing_1R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-Sp-8R!H-2R!H_4R!H-inRing_N-1R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-Sp-8R!H-2R!H_N-4R!H-inRing + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-8R!H=2R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-8R!H=2R!H_4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-8R!H=2R!H_N-4R!H-inRing + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H_Ext-2R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H_Ext-2R!H-R_1R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H_Ext-2R!H-R_N-1R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H_Ext-2R!H-R_N-1R!H-inRing_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H_Ext-2R!H-R_N-1R!H-inRing_N-4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H_4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H_N-4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_N-Sp-8R!H-2R!H + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-1R!H-R + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-1R!H-R_4R!H-inRing + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-1R!H-R_N-4R!H-inRing + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing + L7: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing + L8: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Ext-8R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Sp-11R!H=7R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_N-Sp-11R!H=7R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Ext-8R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Sp-13R!H=7R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_N-Sp-13R!H=7R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_Sp-10R!H=9R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-Sp-10R!H=9R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_Sp-10R!H=9R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_N-Sp-10R!H=9R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_Sp-10R!H=9R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_N-Sp-10R!H=9R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Sp-10R!H=9R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-Sp-10R!H=9R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Sp-11R!H=7R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_N-Sp-11R!H=7R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_Sp-11R!H=7R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_N-Sp-11R!H=7R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-7R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-7R!H-R_Ext-8R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_N-4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_N-4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Ext-8R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Sp-11R!H=7R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Sp-11R!H=7R!H_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Sp-11R!H=7R!H_N-4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_N-Sp-11R!H=7R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_N-Sp-11R!H=7R!H_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_N-4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Ext-8R!H-R + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Sp-13R!H=7R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Sp-13R!H=7R!H_4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Sp-13R!H=7R!H_N-4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_N-Sp-13R!H=7R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_N-Sp-13R!H=7R!H_4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_N-Sp-13R!H=7R!H_N-4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_N-4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing_Sp-10R!H=9R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing_N-Sp-10R!H=9R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing_Sp-10R!H=9R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing_N-Sp-10R!H=9R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_4R!H-inRing_Sp-10R!H=9R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_4R!H-inRing_N-Sp-10R!H=9R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_N-4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_N-4R!H-inRing_Sp-10R!H=9R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_N-4R!H-inRing_N-Sp-10R!H=9R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_4R!H-inRing_Sp-10R!H=9R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_4R!H-inRing_N-Sp-10R!H=9R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_N-4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_N-4R!H-inRing_Sp-10R!H=9R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_N-4R!H-inRing_N-Sp-10R!H=9R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_4R!H-inRing_Sp-10R!H=9R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H=9R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H=9R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H=9R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Sp-11R!H=7R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Sp-11R!H=7R!H_4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Sp-11R!H=7R!H_N-4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_N-Sp-11R!H=7R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_N-Sp-11R!H=7R!H_4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_4R!H-inRing_Sp-11R!H=7R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_4R!H-inRing_N-Sp-11R!H=7R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_N-4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_N-4R!H-inRing_Sp-11R!H=7R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_N-4R!H-inRing_N-Sp-11R!H=7R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_N-4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_N-4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_N-4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_N-4R!H-inRing + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Ext-8R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H_4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H_N-4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_N-4R!H-inRing + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing + L8: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing_Ext-2C-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing_Ext-2C-R_Ext-7R!H-R + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing_Ext-2C-R_Ext-7R!H-R_Sp-11R!H=7R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing_Ext-2C-R_Ext-7R!H-R_N-Sp-11R!H=7R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-10R!H-R + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-10R!H-R_Ext-7R!H-R + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-10R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-10R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-7R!H-R + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-7R!H-R_Sp-11R!H=7R!H + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-7R!H-R_Sp-11R!H=7R!H_Sp-9R!H=8R!H + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-7R!H-R_Sp-11R!H=7R!H_N-Sp-9R!H=8R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-7R!H-R_N-Sp-11R!H=7R!H + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_Sp-9R!H=8R!H + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-Sp-9R!H=8R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Sp-9R!H=8R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_N-Sp-9R!H=8R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_Sp-9R!H=8R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_N-Sp-9R!H=8R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_Sp-9R!H=8R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-Sp-9R!H=8R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Sp-9R!H=8R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-9R!H=8R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-2C-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-2C-R_Ext-7R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-2C-R_Ext-7R!H-R_Sp-10R!H=7R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-2C-R_Ext-7R!H-R_N-Sp-10R!H=7R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-7R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_Sp-8R!H-2C + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_N-Sp-8R!H-2C + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_Sp-8R!H-2C + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_N-Sp-8R!H-2C + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Sp-8R!H-2C + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_N-Sp-8R!H-2C + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_N-Sp-7R!H-1R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_N-Sp-7R!H-1R!H_Ext-2C-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Sp-7R!H-1R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Sp-7R!H-1R!H_Ext-7R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-8R!H=7R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_N-Sp-7R!H-1R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_N-2R!H->C + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_N-Sp-6R!H-3R + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_N-4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_N-4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-7R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_N-4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_N-4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_4R!H-inRing_Sp-9R!H=8R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_4R!H-inRing_N-Sp-9R!H=8R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_N-4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_N-4R!H-inRing_Sp-9R!H=8R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_N-4R!H-inRing_N-Sp-9R!H=8R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_4R!H-inRing_Sp-9R!H=8R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_4R!H-inRing_N-Sp-9R!H=8R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-4R!H-inRing_Sp-9R!H=8R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-4R!H-inRing_N-Sp-9R!H=8R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_4R!H-inRing_Sp-9R!H=8R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_4R!H-inRing_N-Sp-9R!H=8R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Sp-9R!H=8R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_N-Sp-9R!H=8R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_Sp-9R!H=8R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_Sp-9R!H=8R!H_4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_Sp-9R!H=8R!H_N-4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_N-Sp-9R!H=8R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_N-Sp-9R!H=8R!H_4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_N-Sp-9R!H=8R!H_N-4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_Sp-9R!H=8R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_Sp-9R!H=8R!H_4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_Sp-9R!H=8R!H_N-4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-Sp-9R!H=8R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-Sp-9R!H=8R!H_4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-Sp-9R!H=8R!H_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-9R!H=8R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-9R!H=8R!H_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-9R!H=8R!H_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-9R!H=8R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-9R!H=8R!H_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-9R!H=8R!H_N-4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_Ext-7R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_Ext-7R!H-R_Sp-10R!H=7R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_Ext-7R!H-R_Sp-10R!H=7R!H_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_Ext-7R!H-R_Sp-10R!H=7R!H_N-4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_Ext-7R!H-R_N-Sp-10R!H=7R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_Ext-7R!H-R_N-Sp-10R!H=7R!H_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_N-4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_Sp-8R!H-2R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_Sp-8R!H-2R!H_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_Sp-8R!H-2R!H_N-4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_N-Sp-8R!H-2R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_N-Sp-8R!H-2R!H_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_N-Sp-8R!H-2R!H_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_Sp-8R!H-2R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_Sp-8R!H-2R!H_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_Sp-8R!H-2R!H_N-4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_N-Sp-8R!H-2R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_N-Sp-8R!H-2R!H_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_N-Sp-8R!H-2R!H_N-4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Sp-8R!H-2R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Sp-8R!H-2R!H_4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Sp-8R!H-2R!H_N-4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_N-Sp-8R!H-2R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_N-Sp-8R!H-2R!H_4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_N-Sp-8R!H-2R!H_N-4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-7R!H-1R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-7R!H-1R!H_Ext-2R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-7R!H-1R!H_Ext-2R!H-R_4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-7R!H-1R!H_Ext-2R!H-R_N-4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-7R!H-1R!H_4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-7R!H-1R!H_N-4R!H-inRing + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_Ext-7R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-8R!H=7R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-8R!H=7R!H_4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-8R!H=7R!H_N-4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H_4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H_N-4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_N-4R!H-inRing + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-1R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-1R!H_4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-1R!H_N-4R!H-inRing + L8: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_Sp-5R!H=4R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_Sp-5R!H=4R!H_Ext-7R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H_N-4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_Sp-5R!H=4R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_Sp-5R!H=4R!H_Ext-7R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H_N-4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Sp-5R!H=4R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-7R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H_4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H_N-4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_N-4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Sp-5R!H=4R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Sp-5R!H=4R!H_Ext-7R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Sp-5R!H=4R!H_Ext-7R!H-R_Sp-8R!H=7R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-8R!H=7R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-8R!H=7R!H_4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-8R!H=7R!H_N-4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H_4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H_N-4R!H-inRing + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_4R!H-inRing + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing + L6: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R + L7: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing + L8: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_Sp-5R!H=4R!H + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R + L8: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing + L7: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing + L8: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-9R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-8R!H=7R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-8R!H=7R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H=7R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H=7R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Sp-8R!H=7R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_N-Sp-8R!H=7R!H + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-9R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-9R!H-R_4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-9R!H-R_N-4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing_Sp-8R!H=7R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-8R!H=7R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-8R!H=7R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-8R!H=7R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H=7R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H=7R!H_4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H=7R!H_N-4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H=7R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H=7R!H_4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Sp-8R!H=7R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Sp-8R!H=7R!H_4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Sp-8R!H=7R!H_N-4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_N-Sp-8R!H=7R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_N-Sp-8R!H=7R!H_4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing + L8: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_Sp-5R!H=4R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Ext-2R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-7R!H-2R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_Sp-5R!H=4R!H_N-Sp-7R!H-2R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-2R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-2R!H_4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-2R!H_N-4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-2R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-2R!H_4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-2R!H_N-4R!H-inRing + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_N-Sp-2R!H=1R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_N-Sp-2R!H=1R!H_Sp-5R!H=4R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing + L8: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_N-Sp-6R!H-3R + L6: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Sp-5R!H=4R!H + L7: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H + L7: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H + L6: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H + L7: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H + L8: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_4R!H-inRing + L8: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-4R!H-inRing + L7: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H + L8: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_4R!H-inRing + L8: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_N-4R!H-inRing + L5: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H + L6: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R + L7: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R + L8: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_Sp-5R!H=4R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_Sp-5R!H=4R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Sp-5R!H=4R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_N-Sp-5R!H=4R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Sp-5R!H=4R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-Sp-5R!H=4R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-Sp-5R!H=4R!H_4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_Sp-5R!H=4R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_Sp-5R!H=4R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Sp-5R!H=4R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_N-Sp-5R!H=4R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Sp-5R!H#4R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-Sp-5R!H#4R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-Sp-5R!H#4R!H_4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-Sp-5R!H#4R!H_N-4R!H-inRing + L8: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Sp-5R!H-4R!H + L8: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-1R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H_4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H_N-4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_N-4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_N-4R!H-inRing + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_4R!H-inRing + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing + L7: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R + L8: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Sp-5R!H=4R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-Sp-5R!H=4R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-Sp-5R!H=4R!H_4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Sp-5R!H=4R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-Sp-5R!H=4R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-Sp-5R!H=4R!H_4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing + L8: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_4R!H-inRing + L8: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-4R!H-inRing + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-4R!H-inRing_Sp-5R!H=4R!H + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-4R!H-inRing_N-Sp-5R!H=4R!H + L7: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H=4R!H + L7: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H=4R!H + L8: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H=4R!H_Ext-5R!H-R + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H=4R!H_Ext-5R!H-R_4R!H-inRing + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H=4R!H_Ext-5R!H-R_N-4R!H-inRing + L6: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_N-Sp-4R!H-3R + L7: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_N-Sp-4R!H-3R_5R!H-inRing + L7: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_N-Sp-4R!H-3R_N-5R!H-inRing + L8: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_N-Sp-4R!H-3R_N-5R!H-inRing_Ext-2R!H-R + L8: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_N-Sp-4R!H-3R_N-5R!H-inRing_Ext-5R!H-R + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_N-Sp-4R!H-3R_N-5R!H-inRing_Ext-5R!H-R_Sp-6R!H-5R!H + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_N-Sp-4R!H-3R_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H-5R!H + L5: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H + L6: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R + L7: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R + L8: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_Ext-2R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_1R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_N-1R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_N-1R!H-inRing_Sp-5R!H=4R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_N-1R!H-inRing_N-Sp-5R!H=4R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_N-1R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_N-1R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R_Sp-5R!H=4R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Sp-5R!H=4R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_N-Sp-5R!H=4R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-5R!H=4R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-5R!H=4R!H_Sp-10R!H=7R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-5R!H=4R!H_N-Sp-10R!H=7R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_N-4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-10R!H=7R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-10R!H=7R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_N-4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_N-4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Sp-10R!H=7R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_N-Sp-10R!H=7R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_N-4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_N-4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-5R!H=4R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-5R!H=4R!H_Sp-10R!H=7R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-5R!H=4R!H_N-Sp-10R!H=7R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_N-4R!H-inRing + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-7R!H=2R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-7R!H=2R!H_Sp-5R!H=4R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-7R!H=2R!H_N-Sp-5R!H=4R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_Sp-5R!H=4R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_Sp-5R!H=4R!H_Ext-2R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_1R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-1R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-1R!H-inRing_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-1R!H-inRing_N-4R!H-inRing + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-7R!H=2R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-7R!H=2R!H_Sp-5R!H=4R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-7R!H=2R!H_N-Sp-5R!H=4R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_Ext-2R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_Ext-2R!H-R_Sp-5R!H=4R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_Sp-5R!H=4R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_Int-10R!H-2R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_1R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-1R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-1R!H-inRing_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-1R!H-inRing_N-4R!H-inRing + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-1R!H-R + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Sp-5R!H=4R!H + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_N-Sp-5R!H=4R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing + L8: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_N-4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_N-4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Sp-5R!H=4R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-6R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H_4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H_N-4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_N-4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Sp-5R!H=4R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-12R!H=6R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-12R!H=6R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-12R!H=6R!H + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-12R!H=6R!H_4R!H-inRing + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-12R!H=6R!H_N-4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-12R!H=6R!H + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-12R!H=6R!H_4R!H-inRing + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-12R!H=6R!H_N-4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_Sp-9R!H=8R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-Sp-9R!H=8R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_Sp-9R!H=8R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_N-Sp-9R!H=8R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_Sp-9R!H=8R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_N-Sp-9R!H=8R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-9R!H=8R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-9R!H=8R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_Sp-9R!H=8R!H + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_Sp-9R!H=8R!H_4R!H-inRing + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_Sp-9R!H=8R!H_N-4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-Sp-9R!H=8R!H + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-Sp-9R!H=8R!H_4R!H-inRing + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-Sp-9R!H=8R!H_N-4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_Sp-9R!H=8R!H + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_Sp-9R!H=8R!H_4R!H-inRing + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_Sp-9R!H=8R!H_N-4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_N-Sp-9R!H=8R!H + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_N-Sp-9R!H=8R!H_4R!H-inRing + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_N-Sp-9R!H=8R!H_N-4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_Sp-9R!H=8R!H + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_Sp-9R!H=8R!H_4R!H-inRing + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_Sp-9R!H=8R!H_N-4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_N-Sp-9R!H=8R!H + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_N-Sp-9R!H=8R!H_4R!H-inRing + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_N-Sp-9R!H=8R!H_N-4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_N-4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-9R!H=8R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-9R!H=8R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H_4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H_N-4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_N-4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_N-4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H_4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H_N-4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_N-4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_N-4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H_N-4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-8R!H-2R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H-2R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H_N-4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_N-4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H_N-4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_N-4R!H-inRing + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Sp-5R!H-4R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Sp-5R!H-4R!H_Ext-4R!H-R + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-6R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-8R!H=6R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-8R!H=6R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-8R!H=6R!H_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-8R!H=6R!H_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_N-4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-10R!H=6R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-10R!H=6R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_N-4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_N-4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-9R!H=6R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-9R!H=6R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_N-4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Sp-5R!H=4R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-11R!H=6R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-11R!H=6R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-11R!H=6R!H + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-11R!H=6R!H_4R!H-inRing + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-11R!H=6R!H_N-4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-11R!H=6R!H + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-11R!H=6R!H_4R!H-inRing + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-11R!H=6R!H_N-4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Sp-5R!H=4R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-Sp-5R!H=4R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-10R!H=6R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-10R!H=6R!H_Sp-8R!H=7R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-10R!H=6R!H_N-Sp-8R!H=7R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-10R!H=6R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_Sp-8R!H=7R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_N-Sp-8R!H=7R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_Sp-8R!H=7R!H + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_Sp-8R!H=7R!H_4R!H-inRing + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_Sp-8R!H=7R!H_N-4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_N-Sp-8R!H=7R!H + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_N-Sp-8R!H=7R!H_4R!H-inRing + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_Sp-8R!H=7R!H + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_Sp-8R!H=7R!H_4R!H-inRing + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_Sp-8R!H=7R!H_N-4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_N-Sp-8R!H=7R!H + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_N-Sp-8R!H=7R!H_4R!H-inRing + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-8R!H=7R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H=7R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=7R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=7R!H_4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=7R!H_N-4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=7R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=7R!H_4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-9R!H=6R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-9R!H=6R!H_Sp-8R!H=7R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-9R!H=6R!H_N-Sp-8R!H=7R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-9R!H=6R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_Sp-8R!H=7R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_N-Sp-8R!H=7R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_Sp-8R!H=7R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_Sp-8R!H=7R!H_4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_Sp-8R!H=7R!H_N-4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_N-Sp-8R!H=7R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_N-Sp-8R!H=7R!H_4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_Sp-8R!H=7R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_Sp-8R!H=7R!H_4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_Sp-8R!H=7R!H_N-4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_N-Sp-8R!H=7R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_N-Sp-8R!H=7R!H_4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-5R!H=4R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-5R!H=4R!H_Sp-8R!H=7R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-5R!H=4R!H_N-Sp-8R!H=7R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_Sp-8R!H=7R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_Sp-8R!H=7R!H_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_Sp-8R!H=7R!H_N-4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-8R!H=7R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-8R!H=7R!H_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-9R!H=6R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-9R!H=6R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_N-4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Sp-5R!H=4R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-5R!H=4R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-8R!H=6R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-8R!H=6R!H_Sp-7R!H-2R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-8R!H=6R!H_N-Sp-7R!H-2R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H=6R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_Sp-7R!H-2R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_N-Sp-7R!H-2R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=6R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=6R!H_Sp-7R!H-2R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=6R!H_Sp-7R!H-2R!H_4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=6R!H_Sp-7R!H-2R!H_N-4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=6R!H_N-Sp-7R!H-2R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=6R!H_N-Sp-7R!H-2R!H_4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=6R!H_N-Sp-7R!H-2R!H_N-4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=6R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_Sp-7R!H-2R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_Sp-7R!H-2R!H_4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_Sp-7R!H-2R!H_N-4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_N-Sp-7R!H-2R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_N-Sp-7R!H-2R!H_4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_N-Sp-7R!H-2R!H_N-4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Sp-5R!H=4R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Sp-5R!H=4R!H_Sp-7R!H-2R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Sp-5R!H=4R!H_N-Sp-7R!H-2R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_N-Sp-5R!H=4R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-2R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-2R!H_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-2R!H_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-2R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-2R!H_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-2R!H_N-4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_Ext-2R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_Ext-2R!H-R_Sp-5R!H=4R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_Sp-5R!H=4R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_N-Sp-5R!H=4R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Sp-5R!H-4R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Sp-5R!H-4R!H_Ext-4R!H-R_Ext-4R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Sp-5R!H-4R!H_Sp-6R!H-1R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Sp-5R!H-4R!H_N-Sp-6R!H-1R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Sp-6R!H-1R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-7R!H-6R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-7R!H-6R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-7R!H-6R!H_Sp-7R!H=6R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-Sp-7R!H=6R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_N-Sp-6R!H-1R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-7R!H=6R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-7R!H=6R!H_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-7R!H=6R!H_N-4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-7R!H=6R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-7R!H=6R!H_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_N-4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_N-Sp-6R!H-1R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_N-Sp-6R!H-1R!H_4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_N-Sp-6R!H-1R!H_N-4R!H-inRing + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_N-3R->C + L7: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H + L8: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_6R!H-inRing + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-5R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-5R!H-R_Ext-7R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-5R!H-R_Ext-7R!H-R_Ext-8R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-5R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-6R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-5R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-6R!H-R_Ext-10R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-5R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-6R!H-R_Ext-10R!H-R_Ext-9R!H-R + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-4R!H-R + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R + L8: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_2R!H->O + L8: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_N-2R!H->O + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_N-2R!H->O_Ext-5R!H-R + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_N-2R!H->O_Ext-5R!H-R_Ext-6R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_N-2R!H->O_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_N-2R!H->O_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_N-2R!H->O_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-9R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_N-2R!H->O_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-10R!H-R + L7: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H + L8: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-2R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_Sp-5R!H=4R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_N-Sp-5R!H=4R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_Sp-7R!H-6R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Ext-8R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-5R!H=4R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-5R!H=4R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Sp-5R!H=4R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-7R!H=6R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-7R!H=6R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-7R!H=6R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-7R!H=6R!H_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-7R!H=6R!H_N-4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-7R!H=6R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-7R!H=6R!H_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-7R!H=6R!H_N-4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Sp-5R!H=4R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Sp-5R!H=4R!H_Sp-7R!H=6R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Sp-5R!H=4R!H_N-Sp-7R!H=6R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_N-Sp-5R!H=4R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_N-Sp-5R!H=4R!H_Sp-7R!H=6R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_N-Sp-5R!H=4R!H_Sp-7R!H=6R!H_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_N-Sp-5R!H=4R!H_Sp-7R!H=6R!H_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H=6R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H=6R!H_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H=6R!H_N-4R!H-inRing + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Sp-5R!H=4R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-6R!H-2R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-6R!H-2R!H + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-6R!H-2R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-6R!H-2R!H_4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-6R!H-2R!H_N-4R!H-inRing + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-6R!H-2R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-6R!H-2R!H_4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-6R!H-2R!H_N-4R!H-inRing + L8: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_2R!H->O + L8: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_N-2R!H->O + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_N-2R!H->O_Sp-5R!H#4R!H + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_N-2R!H->O_N-Sp-5R!H#4R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_N-2R!H->O_N-Sp-5R!H#4R!H_4R!H-inRing + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_N-2R!H->O_N-Sp-5R!H#4R!H_N-4R!H-inRing + L6: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_N-Sp-4R!H-3R + L7: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_N-Sp-4R!H-3R_Ext-5R!H-R + L7: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_N-Sp-4R!H-3R_1R!H-inRing + L7: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_N-Sp-4R!H-3R_N-1R!H-inRing + L8: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_N-Sp-4R!H-3R_N-1R!H-inRing_Ext-1R!H-R + L4: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R + L5: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H + L6: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->O + L6: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O + L7: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R + L8: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing + L9: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_1R!H-inRing + L10: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_1R!H-inRing_Ext-5R!H-R_Sp-6R!H-5R!H + L10: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_1R!H-inRing_Ext-5R!H-R_N-Sp-6R!H-5R!H + L9: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing + L10: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R + L11: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-1R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-3R-R + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-1R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-1R!H-R_Ext-3R-R + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R + L12: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-1R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-1R!H-R_Ext-3R-R + L15: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-1R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-3R-R + L16: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-3R-R_Sp-7R!H=6R!H + L16: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-3R-R_N-Sp-7R!H=6R!H + L15: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-1R!H-R_Sp-7R!H=6R!H + L15: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-1R!H-R_N-Sp-7R!H=6R!H + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R + L15: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Sp-7R!H=6R!H + L15: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_N-Sp-7R!H=6R!H + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Sp-7R!H=6R!H + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_N-Sp-7R!H=6R!H + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-3R-R + L15: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-3R-R_Sp-7R!H=6R!H + L15: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-3R-R_N-Sp-7R!H=6R!H + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1R!H-R_Sp-7R!H=6R!H + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-7R!H=6R!H + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Sp-7R!H=6R!H + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_N-Sp-7R!H=6R!H + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-7R!H=6R!H + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H=6R!H + L11: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-2C-R + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-2C-R_Ext-3R-R + L12: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-3R-R + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-3R-R_Sp-6R!H-2C + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-3R-R_N-Sp-6R!H-2C + L12: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R_Sp-6R!H-2C + L12: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R_N-Sp-6R!H-2C + L11: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-2C-R + L12: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-2C-R_Ext-3R-R + L11: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-3R-R + L12: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-3R-R_Sp-6R!H-2C + L12: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-3R-R_N-Sp-6R!H-2C + L11: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Sp-6R!H-2C + L11: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_N-Sp-6R!H-2C + L10: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-1R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-1R!H-R_Ext-3R-R + L10: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-3R-R + L8: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing + L9: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R + L10: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R + L11: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-3R-R + L15: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H + L16: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-5R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Ext-6R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-10R!H=5R!H + L15: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-10R!H=5R!H + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-5R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H + L15: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_Ext-6R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_Sp-9R!H=5R!H + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_N-Sp-9R!H=5R!H + L12: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-3R-R + L16: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-3R-R_Ext-5R!H-R + L17: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R + L17: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-3R-R_Ext-5R!H-R_Sp-12R!H=5R!H + L17: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-3R-R_Ext-5R!H-R_N-Sp-12R!H=5R!H + L15: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-5R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-5R!H-R_Ext-6R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-5R!H-R_Sp-11R!H=5R!H + L16: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-5R!H-R_N-Sp-11R!H=5R!H + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R + L15: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R + L17: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R_Sp-8R!H=7R!H + L17: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R_N-Sp-8R!H=7R!H + L16: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H + L17: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H_Sp-8R!H=7R!H + L17: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H_N-Sp-8R!H=7R!H + L16: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H + L17: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H_Sp-8R!H=7R!H + L17: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H_N-Sp-8R!H=7R!H + L15: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Sp-8R!H=7R!H + L15: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_N-Sp-8R!H=7R!H + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Ext-6R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Ext-6R!H-R_Sp-8R!H=7R!H + L16: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Ext-6R!H-R_N-Sp-8R!H=7R!H + L15: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-10R!H=5R!H + L16: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-10R!H=5R!H_Sp-8R!H=7R!H + L16: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-10R!H=5R!H_N-Sp-8R!H=7R!H + L15: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-10R!H=5R!H + L16: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_Sp-8R!H=7R!H + L16: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_N-Sp-8R!H=7R!H + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Sp-8R!H=7R!H + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_N-Sp-8R!H=7R!H + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H + L15: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R_Sp-10R!H=5R!H + L16: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-10R!H=5R!H + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H + L15: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_Sp-10R!H=5R!H + L16: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-10R!H=5R!H + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_Sp-9R!H=5R!H + L15: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_Sp-9R!H=5R!H + L15: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H + L11: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R + L12: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-3R-R + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-3R-R_Ext-5R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H + L12: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-5R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-5R!H-R_Ext-6R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H + L11: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R + L12: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_Sp-7R!H-2C + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_Sp-7R!H-2C_Ext-5R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_Sp-7R!H-2C_Ext-5R!H-R_Ext-6R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_Sp-7R!H-2C_Ext-5R!H-R_Sp-9R!H=5R!H + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_Sp-7R!H-2C_Ext-5R!H-R_N-Sp-9R!H=5R!H + L12: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_N-Sp-7R!H-2C + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_N-Sp-7R!H-2C_Ext-5R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_N-Sp-7R!H-2C_Ext-5R!H-R_Ext-6R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_N-Sp-7R!H-2C_Ext-5R!H-R_Sp-9R!H=5R!H + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_N-Sp-7R!H-2C_Ext-5R!H-R_N-Sp-9R!H=5R!H + L11: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Sp-7R!H-2C + L12: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Sp-7R!H-2C_Ext-5R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Sp-7R!H-2C_Ext-5R!H-R_Ext-6R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Sp-7R!H-2C_Ext-5R!H-R_Sp-8R!H=5R!H + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Sp-7R!H-2C_Ext-5R!H-R_N-Sp-8R!H=5R!H + L11: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_N-Sp-7R!H-2C + L12: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_N-Sp-7R!H-2C_Ext-5R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_N-Sp-7R!H-2C_Ext-5R!H-R_Ext-6R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_N-Sp-7R!H-2C_Ext-5R!H-R_Sp-8R!H=5R!H + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_N-Sp-7R!H-2C_Ext-5R!H-R_N-Sp-8R!H=5R!H + L10: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-3R-R + L11: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-5R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-5R!H-R_Sp-8R!H=5R!H + L12: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-5R!H-R_N-Sp-8R!H=5R!H + L10: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R_Ext-6R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R_Sp-7R!H=5R!H + L11: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R_N-Sp-7R!H=5R!H + L9: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R + L10: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H + L15: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-5R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H + L12: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R_Ext-5R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H + L12: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-5R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H + L11: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R + L15: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R_Ext-5R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H + L16: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-5R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H + L15: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H + L16: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H_Sp-7R!H=6R!H + L16: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H_N-Sp-7R!H=6R!H + L15: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H + L16: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_Sp-7R!H=6R!H + L16: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_N-Sp-7R!H=6R!H + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Sp-7R!H=6R!H + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_N-Sp-7R!H=6R!H + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H + L15: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H_Sp-7R!H=6R!H + L15: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H_N-Sp-7R!H=6R!H + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H + L15: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_Sp-7R!H=6R!H + L15: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_N-Sp-7R!H=6R!H + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Sp-7R!H=6R!H + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_N-Sp-7R!H=6R!H + L12: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H + L15: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H_Sp-7R!H=6R!H + L15: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H_N-Sp-7R!H=6R!H + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H + L15: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_Sp-7R!H=6R!H + L15: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_N-Sp-7R!H=6R!H + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Sp-7R!H=6R!H + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_N-Sp-7R!H=6R!H + L12: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H_Sp-7R!H=6R!H + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H_N-Sp-7R!H=6R!H + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H_Sp-7R!H=6R!H + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H_N-Sp-7R!H=6R!H + L12: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-7R!H=6R!H + L12: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H=6R!H + L10: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H + L11: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R + L12: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R_Ext-5R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H + L12: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-5R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-5R!H-R_Sp-8R!H=5R!H + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-5R!H-R_N-Sp-8R!H=5R!H + L11: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R + L12: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Sp-8R!H=5R!H + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Sp-8R!H=5R!H_Sp-6R!H-2C + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Sp-8R!H=5R!H_N-Sp-6R!H-2C + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_N-Sp-8R!H=5R!H + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_N-Sp-8R!H=5R!H_Sp-6R!H-2C + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_N-Sp-8R!H=5R!H_N-Sp-6R!H-2C + L12: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Sp-6R!H-2C + L12: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_N-Sp-6R!H-2C + L11: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H_Sp-6R!H-2C + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H_N-Sp-6R!H-2C + L12: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H_Sp-6R!H-2C + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H_N-Sp-6R!H-2C + L11: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Sp-6R!H-2C + L11: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_N-Sp-6R!H-2C + L10: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_N-Sp-5R!H-1R!H + L11: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-2C-R + L12: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R + L11: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-3R-R + L9: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H + L10: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Ext-3R-R + L11: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Sp-7R!H=5R!H + L12: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_N-Sp-7R!H=5R!H + L10: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Ext-5R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-6R!H=5R!H + L11: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H + L9: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_N-Sp-5R!H-1R!H + L10: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_N-Sp-5R!H-1R!H_Ext-3R-R + L7: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R + L8: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R + L9: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_5R!H-inRing + L10: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_5R!H-inRing_Ext-2C-R + L11: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_5R!H-inRing_Ext-2C-R_Ext-3R-R + L10: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_5R!H-inRing_Ext-3R-R + L9: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing + L10: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R + L11: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-7R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-7R!H-R_Ext-3R-R + L11: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-3R-R + L12: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-3R-R_Sp-6R!H=5R!H + L12: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-3R-R_N-Sp-6R!H=5R!H + L11: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-6R!H=5R!H + L11: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R_N-Sp-6R!H=5R!H + L10: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Sp-6R!H=5R!H + L11: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Sp-6R!H=5R!H_Ext-3R-R + L10: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_N-Sp-6R!H=5R!H + L11: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_N-Sp-6R!H=5R!H_Ext-3R-R + L8: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-2C-R + L9: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-2C-R_Ext-3R-R + L8: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-3R-R + L9: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-3R-R_Sp-5R!H-2C + L9: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-3R-R_N-Sp-5R!H-2C + L8: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Sp-5R!H-2C + L8: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_N-Sp-5R!H-2C + L7: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-3R-R + L5: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H + L6: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R + L7: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R + L8: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H + L9: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1R!H-R + L10: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H + L12: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H_Ext-3R-R + L11: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H + L12: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_Ext-3R-R + L10: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1R!H-R_Ext-3R-R + L9: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3R-R + L8: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H + L9: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1R!H-R + L10: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H + L12: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H_Ext-3R-R + L11: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H + L12: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_Ext-3R-R + L10: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1R!H-R_Ext-3R-R + L9: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-3R-R + L7: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-1R!H-R + L8: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-6R!H-R + L9: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H + L10: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-3R-R + L9: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H + L10: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-3R-R + L8: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-3R-R + L7: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-3R-R + L6: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-1R!H-R + L7: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-1R!H-R_Ext-5R!H-R + L8: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-1R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H + L9: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-1R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3R-R + L8: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-1R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H + L9: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-1R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-3R-R + L7: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-1R!H-R_Ext-3R-R + L6: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-3R-R + L4: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R + L5: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C + L6: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R + L7: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing + L8: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R + L9: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R + L10: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R_Ext-2R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R_1R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R_N-1R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R_N-1R!H-inRing_Ext-3R-R + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R_N-1R!H-inRing_Ext-3R-R_Ext-3R-R + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_1R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_N-1R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_N-1R!H-inRing_Ext-2R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-3R-R + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_N-1R!H-inRing_Ext-3R-R + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_N-1R!H-inRing_Ext-3R-R_Ext-3R-R + L10: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-1R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-1R!H-R_Ext-3R-R + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-1R!H-R_Ext-3R-R_Ext-3R-R + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-3R-R + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-3R-R_Ext-3R-R + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_Ext-3R-R + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_Ext-3R-R_Ext-3R-R + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_Ext-3R-R_Ext-3R-R_Sp-7R!H=6R!H + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-7R!H=6R!H + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_Ext-3R-R_Sp-7R!H=6R!H + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_Ext-3R-R_N-Sp-7R!H=6R!H + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_Sp-7R!H=6R!H + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=6R!H + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-3R-R + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Sp-7R!H=6R!H + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-7R!H=6R!H + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-3R-R_Sp-7R!H=6R!H + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-3R-R_N-Sp-7R!H=6R!H + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Sp-7R!H#6R!H + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_N-Sp-7R!H#6R!H + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_N-Sp-7R!H#6R!H_1R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_N-Sp-7R!H#6R!H_N-1R!H-inRing + L10: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_Ext-3R-R + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_Ext-3R-R_Ext-3R-R + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_Ext-3R-R_Ext-3R-R_Sp-7R!H=6R!H + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-7R!H=6R!H + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_Ext-3R-R_Sp-7R!H=6R!H + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_Ext-3R-R_N-Sp-7R!H=6R!H + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_Sp-7R!H#6R!H + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_N-Sp-7R!H#6R!H + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_N-Sp-7R!H#6R!H_1R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_N-Sp-7R!H#6R!H_N-1R!H-inRing + L10: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-3R-R + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-3R-R_Ext-3R-R + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-3R-R_Ext-3R-R_Sp-7R!H=6R!H + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-7R!H=6R!H + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-3R-R_Sp-7R!H=6R!H + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-3R-R_N-Sp-7R!H=6R!H + L10: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H + L10: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_1R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-1R!H-inRing + L9: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R + L10: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R + L10: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-3R-R + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-3R-R_Ext-3R-R + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-3R-R_Ext-3R-R_Sp-6R!H-2R!H + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-6R!H-2R!H + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-3R-R_Sp-6R!H-2R!H + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-3R-R_N-Sp-6R!H-2R!H + L10: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-6R!H-2R!H + L10: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-6R!H-2R!H + L9: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-2R!H-R + L10: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-2R!H-R_Ext-3R-R + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R + L9: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-3R-R + L10: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Sp-6R!H-2R!H + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-6R!H-2R!H + L10: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-3R-R_Sp-6R!H-2R!H + L10: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-3R-R_N-Sp-6R!H-2R!H + L9: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Sp-6R!H-2R!H + L9: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_N-Sp-6R!H-2R!H + L8: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R + L9: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_Ext-3R-R + L10: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-3R-R + L8: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-3R-R + L9: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-3R-R_Ext-3R-R + L7: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing + L8: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R + L9: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R + L10: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3R-R + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_Sp-12R!H=5R!H + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_N-Sp-12R!H=5R!H + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-3R-R + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-3R-R_Ext-5R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-5R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_Ext-6R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_Sp-9R!H=5R!H + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_N-Sp-9R!H=5R!H + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3R-R + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3R-R_Ext-3R-R + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R + L17: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R + L17: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_Sp-13R!H=5R!H + L17: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_N-Sp-13R!H=5R!H + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3R-R_Ext-5R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3R-R_Ext-5R!H-R_Sp-12R!H=5R!H + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3R-R_Ext-5R!H-R_N-Sp-12R!H=5R!H + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R_Ext-6R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R_Sp-11R!H=5R!H + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R_N-Sp-11R!H=5R!H + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R + L17: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R_Sp-8R!H=7R!H + L17: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R_N-Sp-8R!H=7R!H + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_Sp-12R!H=5R!H + L17: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_Sp-12R!H=5R!H_Sp-8R!H=7R!H + L17: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_Sp-12R!H=5R!H_N-Sp-8R!H=7R!H + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_N-Sp-12R!H=5R!H + L17: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_N-Sp-12R!H=5R!H_Sp-8R!H=7R!H + L17: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_N-Sp-12R!H=5R!H_N-Sp-8R!H=7R!H + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Sp-8R!H=7R!H + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-8R!H=7R!H + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R_Sp-8R!H=7R!H + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R_N-Sp-8R!H=7R!H + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H_Sp-8R!H=7R!H + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H_N-Sp-8R!H=7R!H + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H_Sp-8R!H=7R!H + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H_N-Sp-8R!H=7R!H + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Sp-8R!H=7R!H + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_N-Sp-8R!H=7R!H + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R_Sp-8R!H=7R!H + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R_N-Sp-8R!H=7R!H + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H_Sp-8R!H=7R!H + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H_N-Sp-8R!H=7R!H + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_Sp-8R!H=7R!H + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_N-Sp-8R!H=7R!H + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-8R!H=7R!H + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-8R!H=7R!H + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Ext-3R-R + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Ext-3R-R_Sp-8R!H=7R!H + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R_Sp-11R!H=5R!H + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-11R!H=5R!H + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Ext-3R-R_N-Sp-8R!H=7R!H + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_Sp-11R!H=5R!H + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-11R!H=5R!H + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R_Sp-10R!H=5R!H + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-10R!H=5R!H + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_Sp-10R!H=5R!H + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-10R!H=5R!H + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_Sp-9R!H=5R!H + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_Sp-9R!H=5R!H + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H + L10: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3R-R + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R_Sp-9R!H=5R!H + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R_N-Sp-9R!H=5R!H + L10: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Sp-7R!H-2R!H + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Sp-7R!H-2R!H_Ext-5R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Sp-7R!H-2R!H_Ext-5R!H-R_Sp-10R!H=5R!H + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-10R!H=5R!H + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-7R!H-2R!H + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-7R!H-2R!H_Ext-5R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Sp-10R!H=5R!H + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-10R!H=5R!H + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Sp-7R!H-2R!H + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Sp-7R!H-2R!H_Ext-5R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Sp-7R!H-2R!H_Ext-5R!H-R_Sp-9R!H=5R!H + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_N-Sp-7R!H-2R!H + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_N-Sp-7R!H-2R!H_Ext-5R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Sp-9R!H=5R!H + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H + L10: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R_Sp-8R!H=5R!H + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H + L10: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Sp-8R!H=5R!H + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H + L9: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C + L10: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C_Ext-3C-R + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C_Ext-3C-R_Ext-3C-R + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C_Ext-3C-R_Ext-3C-R_Ext-5R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Sp-9R!H=5R!H + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C_Ext-3C-R_Ext-5R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C_Ext-3C-R_Ext-5R!H-R_Sp-8R!H=5R!H + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C_Ext-3C-R_Ext-5R!H-R_N-Sp-8R!H=5R!H + L10: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C_Ext-5R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C_Ext-5R!H-R_Ext-6R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C_Ext-5R!H-R_Sp-7R!H=5R!H + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C_Ext-5R!H-R_N-Sp-7R!H=5R!H + L9: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_N-3R->C + L8: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H + L9: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C + L10: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R + L17: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_Sp-10R!H=5R!H + L17: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_N-Sp-10R!H=5R!H + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-3R-R + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-5R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R_Ext-5R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Ext-3R-R + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_Sp-9R!H=5R!H + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_N-Sp-9R!H=5R!H + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R_Ext-3R-R + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-5R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R_Ext-5R!H-R + L17: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R + L18: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_Sp-11R!H=5R!H + L18: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_N-Sp-11R!H=5R!H + L17: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H + L17: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R_Ext-3R-R + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-5R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R + L17: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_Sp-10R!H=5R!H + L18: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_Sp-10R!H=5R!H_Sp-7R!H=6R!H + L18: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_Sp-10R!H=5R!H_N-Sp-7R!H=6R!H + L17: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_N-Sp-10R!H=5R!H + L18: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_N-Sp-10R!H=5R!H_Sp-7R!H=6R!H + L18: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_N-Sp-10R!H=5R!H_N-Sp-7R!H=6R!H + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H + L17: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H_Sp-7R!H=6R!H + L17: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H_N-Sp-7R!H=6R!H + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H + L17: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_Sp-7R!H=6R!H + L17: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_N-Sp-7R!H=6R!H + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-3R-R + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-3R-R_Sp-7R!H=6R!H + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-3R-R_N-Sp-7R!H=6R!H + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Sp-7R!H=6R!H + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_N-Sp-7R!H=6R!H + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H_Sp-7R!H=6R!H + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H_N-Sp-7R!H=6R!H + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_Sp-7R!H=6R!H + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_N-Sp-7R!H=6R!H + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Sp-7R!H=6R!H + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_N-Sp-7R!H=6R!H + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Ext-3R-R + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_Sp-9R!H=5R!H + L17: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_Sp-9R!H=5R!H_Sp-7R!H=6R!H + L17: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_Sp-9R!H=5R!H_N-Sp-7R!H=6R!H + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_N-Sp-9R!H=5R!H + L17: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_N-Sp-9R!H=5R!H_Sp-7R!H=6R!H + L17: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_N-Sp-9R!H=5R!H_N-Sp-7R!H=6R!H + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H_Sp-7R!H=6R!H + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H_N-Sp-7R!H=6R!H + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_Sp-7R!H=6R!H + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_N-Sp-7R!H=6R!H + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-3R-R + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-3R-R_Sp-7R!H=6R!H + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-3R-R_N-Sp-7R!H=6R!H + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Sp-7R!H=6R!H + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_N-Sp-7R!H=6R!H + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H_Sp-7R!H=6R!H + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H_N-Sp-7R!H=6R!H + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H_Sp-7R!H=6R!H + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H_N-Sp-7R!H=6R!H + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-7R!H=6R!H + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H=6R!H + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R_Ext-5R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_Sp-9R!H=5R!H + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_N-Sp-9R!H=5R!H + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R_Ext-3R-R + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-5R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-5R!H-R_Sp-8R!H=5R!H + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-5R!H-R_N-Sp-8R!H=5R!H + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Ext-3R-R + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_Sp-8R!H=5R!H + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_Sp-8R!H=5R!H_Sp-6R!H-2C + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_Sp-8R!H=5R!H_N-Sp-6R!H-2C + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_N-Sp-8R!H=5R!H + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_N-Sp-8R!H=5R!H_Sp-6R!H-2C + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_N-Sp-8R!H=5R!H_N-Sp-6R!H-2C + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Sp-8R!H=5R!H + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Sp-8R!H=5R!H_Sp-6R!H-2C + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Sp-8R!H=5R!H_N-Sp-6R!H-2C + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_N-Sp-8R!H=5R!H + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_N-Sp-8R!H=5R!H_Sp-6R!H-2C + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_N-Sp-8R!H=5R!H_N-Sp-6R!H-2C + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-3R-R + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-3R-R_Sp-6R!H-2C + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-3R-R_N-Sp-6R!H-2C + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Sp-6R!H-2C + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_N-Sp-6R!H-2C + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H_Sp-6R!H-2C + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H_N-Sp-6R!H-2C + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H_Sp-6R!H-2C + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H_N-Sp-6R!H-2C + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Sp-6R!H-2C + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_N-Sp-6R!H-2C + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_N-Sp-5R!H-1R!H + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-2C-R + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R_Ext-3R-R + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-3R-R + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-3R-R_Ext-3R-R + L10: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_Sp-5R!H-1R!H + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_Sp-5R!H-1R!H_Ext-3C-R + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Ext-3C-R + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-7R!H=5R!H + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-7R!H=5R!H + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Sp-7R!H=5R!H + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_N-Sp-7R!H=5R!H + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_Sp-5R!H-1R!H_Ext-3C-R_Ext-3C-R + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_Sp-5R!H-1R!H_Ext-5R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-6R!H=5R!H + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_N-Sp-5R!H-1R!H + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_N-Sp-5R!H-1R!H_Ext-3C-R + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_N-Sp-5R!H-1R!H_Ext-3C-R_Ext-3C-R + L10: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_N-3R->C + L9: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_N-2R!H->C + L10: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H_5R!H->O + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H_N-5R!H->O + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H_N-5R!H->O_Ext-3R-R + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H_N-5R!H->O_Ext-3R-R_6R!H->C + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H_N-5R!H->O_Ext-3R-R_6R!H->C_5CS->C + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H_N-5R!H->O_Ext-3R-R_6R!H->C_N-5CS->C + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H_N-5R!H->O_Ext-3R-R_N-6R!H->C + L10: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_N-2R!H->C_N-Sp-5R!H-1R!H + L8: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H + L9: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R + L10: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-5R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_Ext-3R-R + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_Ext-3R-R_Ext-3R-R + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_Ext-3R-R + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_Ext-3R-R_Ext-3R-R + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-3R-R + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-3R-R_Ext-3R-R + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-5R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_Ext-3R-R + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_Ext-3R-R_Ext-3R-R + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_Ext-3R-R + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_Ext-3R-R_Ext-3R-R + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-3R-R + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-3R-R_Ext-3R-R + L10: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-7R!H=5R!H + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-7R!H=5R!H_Ext-3R-R + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-7R!H=5R!H_Ext-3R-R_Ext-3R-R + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-7R!H=5R!H + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-7R!H=5R!H_Ext-3R-R + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-7R!H=5R!H_Ext-3R-R_Ext-3R-R + L10: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-3R-R + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-3R-R_Ext-3R-R + L9: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-5R!H-R + L10: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-5R!H-R_Sp-6R!H=5R!H + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3R-R + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3R-R_Ext-3R-R + L10: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-3R-R + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-3R-R_Ext-3R-R + L9: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-3R-R + L10: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-3R-R_Ext-3R-R + L6: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_2R!H->S + L7: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_2R!H->S_Ext-3R-R + L8: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_2R!H->S_Ext-3R-R_Ext-3R-R + L7: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_2R!H->S_3R->C + L7: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_2R!H->S_N-3R->C + L6: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S + L7: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C + L8: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R + L9: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R + L10: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Ext-6R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Ext-6R!H-R_5R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Ext-6R!H-R_5R!H-inRing_Ext-2CO-R + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Ext-6R!H-R_5R!H-inRing_Ext-2CO-R_Ext-3R-R + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Ext-6R!H-R_5R!H-inRing_Ext-2CO-R_Ext-3R-R_Ext-3R-R + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Ext-6R!H-R_5R!H-inRing_Ext-3R-R + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Ext-6R!H-R_5R!H-inRing_Ext-3R-R_Ext-3R-R + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Ext-6R!H-R_N-5R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-2CO-R + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-2CO-R_Ext-7R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-2CO-R_Ext-7R!H-R_Ext-3R-R + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-2CO-R_Ext-7R!H-R_Ext-3R-R_Ext-3R-R + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-2CO-R_Ext-3R-R + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-2CO-R_Ext-3R-R_Ext-3R-R + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-2CO-R_Ext-3R-R_Ext-3R-R_Sp-6R!H=5R!H + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-2CO-R_Ext-3R-R_Ext-3R-R_N-Sp-6R!H=5R!H + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-2CO-R_Ext-3R-R_Sp-6R!H=5R!H + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-2CO-R_Ext-3R-R_N-Sp-6R!H=5R!H + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-2CO-R_Sp-6R!H=5R!H + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-2CO-R_N-Sp-6R!H=5R!H + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-3R-R + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-3R-R_Ext-3R-R + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-3R-R_Ext-3R-R_Sp-6R!H=5R!H + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-3R-R_Ext-3R-R_N-Sp-6R!H=5R!H + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-3R-R_Sp-6R!H=5R!H + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-3R-R_N-Sp-6R!H=5R!H + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Sp-6R!H=5R!H + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_N-Sp-6R!H=5R!H + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_N-Sp-2CO=1C + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_N-Sp-2CO=1C_Sp-6R!H=5R!H + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_N-Sp-2CO=1C_Sp-6R!H=5R!H_Ext-3R-R + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_N-Sp-2CO=1C_Sp-6R!H=5R!H_Ext-3R-R_Ext-3R-R + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_N-Sp-2CO=1C_N-Sp-6R!H=5R!H + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_N-Sp-2CO=1C_N-Sp-6R!H=5R!H_Ext-3R-R + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_N-Sp-2CO=1C_N-Sp-6R!H=5R!H_Ext-3R-R_Ext-3R-R + L10: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Sp-2CO=1C + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Sp-2CO=1C_5R!H->C + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Sp-2CO=1C_5R!H->C_Sp-5C-2CO + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Sp-2CO=1C_5R!H->C_Sp-5C-2CO_Ext-3R-R + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Sp-2CO=1C_5R!H->C_Sp-5C-2CO_Ext-3R-R_Ext-2CO-R + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Sp-2CO=1C_5R!H->C_Sp-5C-2CO_Ext-3R-R_Ext-2CO-R_Ext-3R-R + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Sp-2CO=1C_5R!H->C_Sp-5C-2CO_Ext-3R-R_Ext-3R-R + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Sp-2CO=1C_5R!H->C_Sp-5C-2CO_Ext-2CO-R + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Sp-2CO=1C_5R!H->C_N-Sp-5C-2CO + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Sp-2CO=1C_5R!H->C_N-Sp-5C-2CO_Ext-3R-R + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Sp-2CO=1C_5R!H->C_N-Sp-5C-2CO_Ext-3R-R_Ext-3R-R + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Sp-2CO=1C_N-5R!H->C + L10: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_N-Sp-2CO=1C + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_N-Sp-2CO=1C_Ext-3R-R + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_N-Sp-2CO=1C_Ext-3R-R_Ext-3R-R + L9: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_3R->S + L9: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_N-3R->S + L10: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_N-3R->S_Sp-2CO=1C + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_N-3R->S_Sp-2CO=1C_3CO->C + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_N-3R->S_Sp-2CO=1C_3CO->C_Ext-3C-R + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_N-3R->S_Sp-2CO=1C_3CO->C_Ext-3C-R_Ext-3C-R + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_N-3R->S_Sp-2CO=1C_3CO->C_2CO->O + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_N-3R->S_Sp-2CO=1C_3CO->C_N-2CO->O + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_N-3R->S_Sp-2CO=1C_N-3CO->C + L10: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_N-3R->S_N-Sp-2CO=1C + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_N-3R->S_N-Sp-2CO=1C_3CO->C + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_N-3R->S_N-Sp-2CO=1C_3CO->C_Ext-3C-R + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_N-3R->S_N-Sp-2CO=1C_3CO->C_Ext-3C-R_Ext-3C-R + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_N-3R->S_N-Sp-2CO=1C_N-3CO->C + L8: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_N-Sp-4C-3R + L7: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_N-1R!H->C + L8: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_N-1R!H->C_3R->C + L9: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_N-1R!H->C_3R->C_Ext-3C-R + L10: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_N-1R!H->C_3R->C_Ext-3C-R_Ext-3C-R + L9: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_N-1R!H->C_3R->C_Ext-2CO-R + L8: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_N-1R!H->C_N-3R->C + L5: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C + L6: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_2R!H->O + L7: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_2R!H->O_Ext-1R!H-R + L8: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_2R!H->O_Ext-1R!H-R_Ext-1R!H-R + L6: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O + L7: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0 + L8: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_3R->S + L9: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_3R->S_1R!H->C + L10: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_3R->S_1R!H->C_2CNS->C + L10: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_3R->S_1R!H->C_N-2CNS->C + L9: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_3R->S_N-1R!H->C + L8: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S + L9: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C + L10: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_Ext-2CNS-R + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_Ext-2CNS-R_Ext-2CNS-R + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_Ext-2CNS-R_Ext-2CNS-R_Ext-1C-R + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_Ext-2CNS-R_Ext-2CNS-R_Ext-1C-R_Ext-1C-R + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_Ext-2CNS-R_3CO->C + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_Ext-2CNS-R_N-3CO->C + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_Ext-2CNS-R_N-3CO->C_Ext-1C-R + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_Ext-2CNS-R_N-3CO->C_Ext-1C-R_Ext-1C-R + L10: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_2CNS->C + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_2CNS->C_Ext-1C-R + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_2CNS->C_Ext-1C-R_5R!H->C + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_2CNS->C_Ext-1C-R_5R!H->C_Ext-1C-R + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_2CNS->C_Ext-1C-R_N-5R!H->C + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_2CNS->C_3CO->C + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_2CNS->C_N-3CO->C + L10: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_N-2CNS->C + L9: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_N-1R!H->C + L7: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_N-4OS-u0 + L8: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_N-4OS-u0_Ext-2CNS-R + L9: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_N-4OS-u0_Ext-2CNS-R_Ext-5R!H-R + L8: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_N-4OS-u0_Ext-1R!H-R + L3: Root_N-3R-inRing_3R->C + L4: Root_N-3R-inRing_3R->C_Ext-1R!H-R + L5: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R + L6: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R + L7: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing + L8: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R + L9: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_6R!H-inRing + L10: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-2R!H-R + L9: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_N-6R!H-inRing + L10: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R + L11: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R_Ext-10R!H-R + L11: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R_Sp-9R!H=6R!H + L11: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R_N-Sp-9R!H=6R!H + L10: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_N-6R!H-inRing_Sp-9R!H=6R!H + L10: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-9R!H=6R!H + L8: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_1R!H-inRing + L8: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_N-1R!H-inRing + L9: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_N-1R!H-inRing_Ext-2R!H-R + L9: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_N-1R!H-inRing_Sp-6R!H-2R!H + L9: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_N-1R!H-inRing_N-Sp-6R!H-2R!H + L7: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing + L8: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R + L9: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R + L10: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_Ext-2R!H-R + L11: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R + L12: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Ext-5R!H-R + L12: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Sp-10R!H=4R!H + L12: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_N-Sp-10R!H=4R!H + L10: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_6R!H-inRing + L11: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-4R!H-R + L12: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-4R!H-R_Ext-5R!H-R + L12: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-4R!H-R_Sp-9R!H=4R!H + L12: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-4R!H-R_N-Sp-9R!H=4R!H + L10: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_N-6R!H-inRing + L9: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R + L10: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R + L11: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-4R!H-R + L12: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-4R!H-R_Ext-5R!H-R + L12: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-4R!H-R_Sp-10R!H=4R!H + L12: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-4R!H-R_N-Sp-10R!H=4R!H + L10: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R + L11: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Ext-5R!H-R + L12: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Ext-5R!H-R_Sp-7R!H=6R!H + L12: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Ext-5R!H-R_N-Sp-7R!H=6R!H + L11: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Sp-9R!H=4R!H + L12: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Sp-9R!H=4R!H_Sp-7R!H=6R!H + L12: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Sp-9R!H=4R!H_N-Sp-7R!H=6R!H + L11: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_N-Sp-9R!H=4R!H + L12: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_N-Sp-9R!H=4R!H_Sp-7R!H=6R!H + L12: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_N-Sp-9R!H=4R!H_N-Sp-7R!H=6R!H + L10: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Sp-7R!H=6R!H + L10: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_N-Sp-7R!H=6R!H + L9: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Sp-7R!H=6R!H + L10: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-4R!H-R + L11: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-4R!H-R_Ext-5R!H-R + L11: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-4R!H-R_Sp-8R!H=4R!H + L11: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-4R!H-R_N-Sp-8R!H=4R!H + L9: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_N-Sp-7R!H=6R!H + L10: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-4R!H-R + L11: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-4R!H-R_Ext-5R!H-R + L11: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-4R!H-R_Sp-8R!H=4R!H + L11: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-4R!H-R_N-Sp-8R!H=4R!H + L8: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H + L9: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-2R!H-R + L10: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-2R!H-R_Ext-4R!H-R + L11: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-2R!H-R_Ext-4R!H-R_Ext-5R!H-R + L11: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-2R!H-R_Ext-4R!H-R_Sp-8R!H=4R!H + L11: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-2R!H-R_Ext-4R!H-R_N-Sp-8R!H=4R!H + L9: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-4R!H-R + L10: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-4R!H-R_Ext-5R!H-R + L10: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-4R!H-R_Sp-7R!H=4R!H + L10: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H + L8: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_N-Sp-6R!H-2R!H + L9: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_N-Sp-6R!H-2R!H_Ext-4R!H-R + L10: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_N-Sp-6R!H-2R!H_Ext-4R!H-R_Ext-5R!H-R + L10: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_N-Sp-6R!H-2R!H_Ext-4R!H-R_Sp-7R!H=4R!H + L10: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_N-Sp-6R!H-2R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H + L6: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_2R!H->O + L6: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-2R!H->O + L7: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-2R!H->O_1R!H-inRing + L7: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-2R!H->O_N-1R!H-inRing + L8: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-2R!H->O_N-1R!H-inRing_Ext-4R!H-R + L9: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-2R!H->O_N-1R!H-inRing_Ext-4R!H-R_Ext-6R!H-R + L10: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-2R!H->O_N-1R!H-inRing_Ext-4R!H-R_Ext-6R!H-R_4R!H-inRing + L10: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-2R!H->O_N-1R!H-inRing_Ext-4R!H-R_Ext-6R!H-R_N-4R!H-inRing + L11: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-2R!H->O_N-1R!H-inRing_Ext-4R!H-R_Ext-6R!H-R_N-4R!H-inRing_Ext-6R!H-R + L9: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-2R!H->O_N-1R!H-inRing_Ext-4R!H-R_Ext-5R!H-R + L9: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-2R!H->O_N-1R!H-inRing_Ext-4R!H-R_Sp-6R!H=4R!H + L9: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-2R!H->O_N-1R!H-inRing_Ext-4R!H-R_N-Sp-6R!H=4R!H + L8: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-2R!H->O_N-1R!H-inRing_2CS->C + L8: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-2R!H->O_N-1R!H-inRing_N-2CS->C + L5: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H + L6: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_Ext-2R!H-R + L7: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_Ext-2R!H-R_Ext-5R!H-R + L8: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H + L9: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-4R!H-R + L10: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-4R!H-R_Sp-7R!H=4R!H + L10: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H + L8: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H + L9: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R + L10: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R_Sp-7R!H=4R!H + L10: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H + L7: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_Ext-2R!H-R_Ext-4R!H-R + L8: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_Ext-2R!H-R_Ext-4R!H-R_Sp-6R!H=4R!H + L8: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_Ext-2R!H-R_Ext-4R!H-R_N-Sp-6R!H=4R!H + L6: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_4R!H-inRing + L6: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_N-4R!H-inRing + L7: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_N-4R!H-inRing_Ext-4R!H-R + L8: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_N-4R!H-inRing_Ext-4R!H-R_Sp-5R!H=4R!H + L8: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_N-4R!H-inRing_Ext-4R!H-R_N-Sp-5R!H=4R!H + L5: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H + L6: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R + L7: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H + L8: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_Int-5R!H-4R!H + L8: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing + L9: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H + L10: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R + L11: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_5R!H-inRing + L12: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_5R!H-inRing_1R!H-inRing + L13: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_5R!H-inRing_1R!H-inRing_Sp-2R!H-=1R!H + L13: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_5R!H-inRing_1R!H-inRing_N-Sp-2R!H-=1R!H + L12: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_5R!H-inRing_N-1R!H-inRing + L13: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2R!H-R + L11: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-5R!H-inRing + L12: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-5R!H-inRing_Ext-5R!H-R + L13: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R + L14: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_Ext-11R!H-R + L14: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_Sp-10R!H=5R!H + L14: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_N-Sp-10R!H=5R!H + L13: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-5R!H-inRing_Ext-5R!H-R_Sp-10R!H=5R!H + L13: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-5R!H-inRing_Ext-5R!H-R_N-Sp-10R!H=5R!H + L12: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-5R!H-inRing_Ext-2R!H-R + L9: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_N-Sp-6R!H-=4R!H + L10: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_N-Sp-6R!H-=4R!H_Int-6R!H-5R!H + L11: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_N-Sp-6R!H-=4R!H_Int-6R!H-5R!H_Ext-4R!H-R + L12: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_N-Sp-6R!H-=4R!H_Int-6R!H-5R!H_Ext-4R!H-R_Ext-6R!H-R + L11: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_N-Sp-6R!H-=4R!H_Int-6R!H-5R!H_Sp-6R!H-4R!H + L12: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_N-Sp-6R!H-=4R!H_Int-6R!H-5R!H_Sp-6R!H-4R!H_Ext-5R!H-R + L11: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_N-Sp-6R!H-=4R!H_Int-6R!H-5R!H_N-Sp-6R!H-4R!H + L8: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing + L9: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_5R!H-inRing + L10: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_5R!H-inRing_Ext-2R!H-R + L11: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_5R!H-inRing_Ext-2R!H-R_Ext-4R!H-R + L12: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_5R!H-inRing_Ext-2R!H-R_Ext-4R!H-R_Sp-7R!H=4R!H + L12: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_5R!H-inRing_Ext-2R!H-R_Ext-4R!H-R_N-Sp-7R!H=4R!H + L10: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_5R!H-inRing_Ext-4R!H-R + L11: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_5R!H-inRing_Ext-4R!H-R_Sp-6R!H=4R!H + L11: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_5R!H-inRing_Ext-4R!H-R_N-Sp-6R!H=4R!H + L9: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing + L10: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R + L11: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-5R!H-R + L11: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R + L12: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_Ext-7R!H-R + L13: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_Ext-7R!H-R_Ext-4R!H-R + L14: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_Ext-7R!H-R_Ext-4R!H-R_Sp-9R!H=4R!H + L14: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_Ext-7R!H-R_Ext-4R!H-R_N-Sp-9R!H=4R!H + L12: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_Ext-4R!H-R + L13: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_Ext-4R!H-R_Sp-8R!H=4R!H + L14: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_Ext-4R!H-R_Sp-8R!H=4R!H_Sp-6R!H=5R!H + L14: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_Ext-4R!H-R_Sp-8R!H=4R!H_N-Sp-6R!H=5R!H + L13: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_Ext-4R!H-R_N-Sp-8R!H=4R!H + L14: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_Ext-4R!H-R_N-Sp-8R!H=4R!H_Sp-6R!H=5R!H + L14: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_Ext-4R!H-R_N-Sp-8R!H=4R!H_N-Sp-6R!H=5R!H + L12: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_Sp-6R!H=5R!H + L12: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_N-Sp-6R!H=5R!H + L11: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-4R!H-R + L12: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-4R!H-R_Sp-7R!H=4R!H + L13: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-4R!H-R_Sp-7R!H=4R!H_Sp-6R!H=5R!H + L13: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-4R!H-R_Sp-7R!H=4R!H_N-Sp-6R!H=5R!H + L12: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-4R!H-R_N-Sp-7R!H=4R!H + L13: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-4R!H-R_N-Sp-7R!H=4R!H_Sp-6R!H=5R!H + L13: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-4R!H-R_N-Sp-7R!H=4R!H_N-Sp-6R!H=5R!H + L11: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Sp-6R!H=5R!H + L11: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H + L10: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Sp-4R!H-1R!H + L11: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Sp-4R!H-1R!H_Ext-4R!H-R + L12: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Sp-4R!H-1R!H_Ext-4R!H-R_Ext-2R!H-R + L13: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Sp-4R!H-1R!H_Ext-4R!H-R_Ext-2R!H-R_Sp-6R!H=4R!H + L13: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Sp-4R!H-1R!H_Ext-4R!H-R_Ext-2R!H-R_N-Sp-6R!H=4R!H + L12: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Sp-4R!H-1R!H_Ext-4R!H-R_Sp-6R!H=4R!H + L12: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Sp-4R!H-1R!H_Ext-4R!H-R_N-Sp-6R!H=4R!H + L11: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Sp-4R!H-1R!H_Ext-2R!H-R + L10: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_N-Sp-4R!H-1R!H + L11: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_N-Sp-4R!H-1R!H_Ext-2R!H-R + L7: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_N-Sp-5R!H-2R!H + L8: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_N-Sp-5R!H-2R!H_1R!H-inRing + L9: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_N-Sp-5R!H-2R!H_1R!H-inRing_Ext-5R!H-R_Ext-5R!H-R + L9: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_N-Sp-5R!H-2R!H_1R!H-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R + L8: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_N-Sp-5R!H-2R!H_N-1R!H-inRing + L9: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_N-Sp-5R!H-2R!H_N-1R!H-inRing_4R!H-inRing + L9: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_N-Sp-5R!H-2R!H_N-1R!H-inRing_N-4R!H-inRing + L10: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_N-Sp-5R!H-2R!H_N-1R!H-inRing_N-4R!H-inRing_Ext-4R!H-R + L11: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_N-Sp-5R!H-2R!H_N-1R!H-inRing_N-4R!H-inRing_Ext-4R!H-R_Sp-6R!H=4R!H + L11: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_N-Sp-5R!H-2R!H_N-1R!H-inRing_N-4R!H-inRing_Ext-4R!H-R_N-Sp-6R!H=4R!H + L6: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_2R!H->S + L7: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_2R!H->S_4R!H->C + L7: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_2R!H->S_N-4R!H->C + L6: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S + L7: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_4R!H-u0 + L8: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_4R!H-u0_4R!H->C + L9: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_4R!H-u0_4R!H->C_Sp-4C-1R!H + L10: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_4R!H-u0_4R!H->C_Sp-4C-1R!H_4C-inRing + L10: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_4R!H-u0_4R!H->C_Sp-4C-1R!H_N-4C-inRing + L11: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_4R!H-u0_4R!H->C_Sp-4C-1R!H_N-4C-inRing_Ext-4C-R + L12: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_4R!H-u0_4R!H->C_Sp-4C-1R!H_N-4C-inRing_Ext-4C-R_Ext-5R!H-R + L13: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_4R!H-u0_4R!H->C_Sp-4C-1R!H_N-4C-inRing_Ext-4C-R_Ext-5R!H-R_Ext-5R!H-R_Ext-5R!H-R + L12: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_4R!H-u0_4R!H->C_Sp-4C-1R!H_N-4C-inRing_Ext-4C-R_Sp-5R!H=4C + L12: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_4R!H-u0_4R!H->C_Sp-4C-1R!H_N-4C-inRing_Ext-4C-R_N-Sp-5R!H=4C + L9: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_4R!H-u0_4R!H->C_N-Sp-4C-1R!H + L8: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_4R!H-u0_N-4R!H->C + L9: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_4R!H-u0_N-4R!H->C_2CO->O + L9: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_4R!H-u0_N-4R!H->C_N-2CO->O + L7: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_N-4R!H-u0 + L4: Root_N-3R-inRing_3R->C_3C-u1 + L5: Root_N-3R-inRing_3R->C_3C-u1_1R!H->S + L6: Root_N-3R-inRing_3R->C_3C-u1_1R!H->S_Ext-2R!H-R + L7: Root_N-3R-inRing_3R->C_3C-u1_1R!H->S_Ext-2R!H-R_Ext-4R!H-R + L8: Root_N-3R-inRing_3R->C_3C-u1_1R!H->S_Ext-2R!H-R_Ext-4R!H-R_Ext-2R!H-R + L7: Root_N-3R-inRing_3R->C_3C-u1_1R!H->S_Ext-2R!H-R_Ext-2R!H-R + L5: Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S + L6: Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_2R!H->S + L6: Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S + L7: Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R + L8: Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO + L9: Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO + L10: Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R + L11: Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_Sp-5R!H-4R!H + L12: Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_Sp-5R!H-4R!H_5R!H->C + L12: Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_Sp-5R!H-4R!H_N-5R!H->C + L11: Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_N-Sp-5R!H-4R!H + L12: Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_N-Sp-5R!H-4R!H_4R!H-inRing + L13: Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_N-Sp-5R!H-4R!H_4R!H-inRing_Ext-2CNO-R + L14: Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_N-Sp-5R!H-4R!H_4R!H-inRing_Ext-2CNO-R_2CNO-inRing + L14: Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_N-Sp-5R!H-4R!H_4R!H-inRing_Ext-2CNO-R_N-2CNO-inRing + L12: Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-4R!H-inRing + L13: Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-4R!H-inRing_Ext-2CNO-R + L14: Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-4R!H-inRing_Ext-2CNO-R_Ext-6R!H-R + L14: Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-4R!H-inRing_Ext-2CNO-R_Sp-5R!H=4R!H + L14: Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-4R!H-inRing_Ext-2CNO-R_N-Sp-5R!H=4R!H + L13: Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-4R!H-inRing_Sp-5R!H=4R!H + L13: Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-4R!H-inRing_N-Sp-5R!H=4R!H + L10: Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_4R!H->C + L11: Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_4R!H->C_Ext-2CNO-R + L10: Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_N-4R!H->C + L9: Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-Sp-2CNO=1CCNNO + L10: Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-Sp-2CNO=1CCNNO_4R!H-inRing + L10: Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-Sp-2CNO=1CCNNO_N-4R!H-inRing + L11: Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-Sp-2CNO=1CCNNO_N-4R!H-inRing_Ext-4R!H-R + L12: Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-Sp-2CNO=1CCNNO_N-4R!H-inRing_Ext-4R!H-R_Sp-5R!H=4R!H + L12: Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-Sp-2CNO=1CCNNO_N-4R!H-inRing_Ext-4R!H-R_N-Sp-5R!H=4R!H + L8: Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_N-Sp-4R!H-2CNO + L9: Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_N-Sp-4R!H-2CNO_4R!H->C + L9: Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_N-Sp-4R!H-2CNO_N-4R!H->C + L7: Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Sp-2CNO=1CCNNO + L8: Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Sp-2CNO=1CCNNO_2CNO->O + L8: Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Sp-2CNO=1CCNNO_N-2CNO->O + L7: Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_N-Sp-2CNO=1CCNNO + L8: Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_N-Sp-2CNO=1CCNNO_1CN->C + L8: Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_N-Sp-2CNO=1CCNNO_N-1CN->C + L4: Root_N-3R-inRing_3R->C_N-3C-u1 + L3: Root_N-3R-inRing_N-3R->C + L4: Root_N-3R-inRing_N-3R->C_1R!H->N + L4: Root_N-3R-inRing_N-3R->C_N-1R!H->N + L5: Root_N-3R-inRing_N-3R->C_N-1R!H->N_2R!H->N + L5: Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N + L6: Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_3NOS->N + L6: Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N + L7: Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_Ext-1CS-R + L8: Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_Ext-1CS-R_2CS->C + L9: Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_Ext-1CS-R_2CS->C_Sp-2C=1CS + L10: Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_Ext-1CS-R_2CS->C_Sp-2C=1CS_Sp-4R!H-1CS + L11: Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_Ext-1CS-R_2CS->C_Sp-2C=1CS_Sp-4R!H-1CS_Ext-2C-R + L10: Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_Ext-1CS-R_2CS->C_Sp-2C=1CS_N-Sp-4R!H-1CS + L9: Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_Ext-1CS-R_2CS->C_N-Sp-2C=1CS + L8: Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_Ext-1CS-R_N-2CS->C + L7: Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C + L8: Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_Ext-2CS-R + L9: Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_Ext-2CS-R_3OS-u1 + L10: Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_Ext-2CS-R_3OS-u1_Sp-2CS=1C + L11: Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_Ext-2CS-R_3OS-u1_Sp-2CS=1C_Sp-4R!H-2CS + L11: Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_Ext-2CS-R_3OS-u1_Sp-2CS=1C_N-Sp-4R!H-2CS + L10: Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_Ext-2CS-R_3OS-u1_N-Sp-2CS=1C + L9: Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_Ext-2CS-R_N-3OS-u1 + L8: Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_3OS-u1 + L9: Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_3OS-u1_Sp-2CS=1C + L10: Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_3OS-u1_Sp-2CS=1C_3OS->O + L10: Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_3OS-u1_Sp-2CS=1C_N-3OS->O + L11: Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_3OS-u1_Sp-2CS=1C_N-3OS->O_2CS->C + L11: Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_3OS-u1_Sp-2CS=1C_N-3OS->O_N-2CS->C + L9: Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_3OS-u1_N-Sp-2CS=1C + L8: Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_N-3OS-u1 + L7: Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_N-1CS->C +""" +) + +forbidden( + label = "O2d", + group = +""" +1 *1 O u0 {2,D} +2 *2 O u0 {1,D} +""", + shortDesc = """""", + longDesc = +""" """, ) diff --git a/input/kinetics/families/R_Addition_MultipleBond/rules.py b/input/kinetics/families/R_Addition_MultipleBond/rules.py index 446e0ba69e..c17fea0f65 100644 --- a/input/kinetics/families/R_Addition_MultipleBond/rules.py +++ b/input/kinetics/families/R_Addition_MultipleBond/rules.py @@ -2,22 +2,65662 @@ # encoding: utf-8 name = "R_Addition_MultipleBond/rules" -shortDesc = u"" -longDesc = u""" +shortDesc = "" +longDesc = """ """ +entry( + index = 1, + label = "Root", + kinetics = ArrheniusBM(A=(5.40958e+14,'m^3/(mol*s)'), n=-2.42033, w0=(304018,'J/mol'), E0=(94861.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.33843852685636727, var=15.234978319042316, Tref=1000.0, N=2952, data_mean=0.0, correlation='Root',), comment="""BM rule fitted to 2952 training reactions at node Root + Total Standard Deviation in ln(k): 8.675232086263993"""), + rank = 11, + shortDesc = """BM rule fitted to 2952 training reactions at node Root +Total Standard Deviation in ln(k): 8.675232086263993""", + longDesc = +""" +BM rule fitted to 2952 training reactions at node Root +Total Standard Deviation in ln(k): 8.675232086263993 +""", +) + +entry( + index = 2, + label = "Root_3R->H", + kinetics = ArrheniusBM(A=(2.14829e+22,'m^3/(mol*s)'), n=-4.5657, w0=(333365,'J/mol'), E0=(118333,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.5817446642524324, var=20.979940373802954, Tref=1000.0, N=390, data_mean=0.0, correlation='Root_3R->H',), comment="""BM rule fitted to 390 training reactions at node Root_3R->H + Total Standard Deviation in ln(k): 10.644131469963783"""), + rank = 11, + shortDesc = """BM rule fitted to 390 training reactions at node Root_3R->H +Total Standard Deviation in ln(k): 10.644131469963783""", + longDesc = +""" +BM rule fitted to 390 training reactions at node Root_3R->H +Total Standard Deviation in ln(k): 10.644131469963783 +""", +) + +entry( + index = 3, + label = "Root_3R->H_2R!H->N", + kinetics = ArrheniusBM(A=(9.99916e+11,'m^3/(mol*s)'), n=-3.06556, w0=(368875,'J/mol'), E0=(50439,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4957956144745228, var=14.619501207701346, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_3R->H_2R!H->N',), comment="""BM rule fitted to 4 training reactions at node Root_3R->H_2R!H->N + Total Standard Deviation in ln(k): 8.910913674817925"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_3R->H_2R!H->N +Total Standard Deviation in ln(k): 8.910913674817925""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_3R->H_2R!H->N +Total Standard Deviation in ln(k): 8.910913674817925 +""", +) + +entry( + index = 4, + label = "Root_3R->H_N-2R!H->N", + kinetics = ArrheniusBM(A=(7.31447e+18,'m^3/(mol*s)'), n=-3.33404, w0=(332997,'J/mol'), E0=(113793,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.8969749924679185, var=19.038699789859606, Tref=1000.0, N=386, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N',), comment="""BM rule fitted to 386 training reactions at node Root_3R->H_N-2R!H->N + Total Standard Deviation in ln(k): 11.001038455650345"""), + rank = 11, + shortDesc = """BM rule fitted to 386 training reactions at node Root_3R->H_N-2R!H->N +Total Standard Deviation in ln(k): 11.001038455650345""", + longDesc = +""" +BM rule fitted to 386 training reactions at node Root_3R->H_N-2R!H->N +Total Standard Deviation in ln(k): 11.001038455650345 +""", +) + +entry( + index = 5, + label = "Root_3R->H_2R!H->N_1R!H->N", + kinetics = ArrheniusBM(A=(2.84982e+06,'m^3/(mol*s)'), n=-1.07293, w0=(386750,'J/mol'), E0=(-38590.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=8.935681690593995, var=68.27401225764166, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_2R!H->N_1R!H->N',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_2R!H->N_1R!H->N + Total Standard Deviation in ln(k): 39.01620453631294"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_2R!H->N_1R!H->N +Total Standard Deviation in ln(k): 39.01620453631294""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_2R!H->N_1R!H->N +Total Standard Deviation in ln(k): 39.01620453631294 +""", +) + +entry( + index = 6, + label = "Root_3R->H_2R!H->N_N-1R!H->N", + kinetics = ArrheniusBM(A=(5.2344e+25,'m^3/(mol*s)'), n=-7.23845, w0=(351000,'J/mol'), E0=(84570.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03126742554174341, var=3.7538271543068413, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_2R!H->N_N-1R!H->N',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_2R!H->N_N-1R!H->N + Total Standard Deviation in ln(k): 3.9626946627085005"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_2R!H->N_N-1R!H->N +Total Standard Deviation in ln(k): 3.9626946627085005""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_2R!H->N_N-1R!H->N +Total Standard Deviation in ln(k): 3.9626946627085005 +""", +) + +entry( + index = 7, + label = "Root_3R->H_N-2R!H->N_2COS-inRing", + kinetics = ArrheniusBM(A=(8.97004e+14,'m^3/(mol*s)'), n=-1.95445, w0=(315332,'J/mol'), E0=(90397,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3209664063598405, var=10.455479692062337, Tref=1000.0, N=95, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing',), comment="""BM rule fitted to 95 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing + Total Standard Deviation in ln(k): 7.288745937195178"""), + rank = 11, + shortDesc = """BM rule fitted to 95 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing +Total Standard Deviation in ln(k): 7.288745937195178""", + longDesc = +""" +BM rule fitted to 95 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing +Total Standard Deviation in ln(k): 7.288745937195178 +""", +) + +entry( + index = 8, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing", + kinetics = ArrheniusBM(A=(5.75542e+17,'m^3/(mol*s)'), n=-3.09554, w0=(338765,'J/mol'), E0=(113658,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.9991864254775626, var=19.259181279038, Tref=1000.0, N=291, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing',), comment="""BM rule fitted to 291 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing + Total Standard Deviation in ln(k): 11.308355424108594"""), + rank = 11, + shortDesc = """BM rule fitted to 291 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing +Total Standard Deviation in ln(k): 11.308355424108594""", + longDesc = +""" +BM rule fitted to 291 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing +Total Standard Deviation in ln(k): 11.308355424108594 +""", +) + +entry( + index = 9, + label = "Root_3R->H_2R!H->N_1R!H->N_Sp-2N=1N", + kinetics = ArrheniusBM(A=(9.91e+28,'m^3/(mol*s)'), n=-7.67, w0=(318500,'J/mol'), E0=(31850,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_2R!H->N_1R!H->N_Sp-2N=1N',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_2R!H->N_1R!H->N_Sp-2N=1N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_2R!H->N_1R!H->N_Sp-2N=1N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_2R!H->N_1R!H->N_Sp-2N=1N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 10, + label = "Root_3R->H_2R!H->N_1R!H->N_N-Sp-2N=1N", + kinetics = ArrheniusBM(A=(3.8e+09,'m^3/(mol*s)'), n=-0.64, w0=(455000,'J/mol'), E0=(51213.8,'J/mol'), Tmin=(300,'K'), Tmax=(25000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_2R!H->N_1R!H->N_N-Sp-2N=1N',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_2R!H->N_1R!H->N_N-Sp-2N=1N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_2R!H->N_1R!H->N_N-Sp-2N=1N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_2R!H->N_1R!H->N_N-Sp-2N=1N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 11, + label = "Root_3R->H_2R!H->N_N-1R!H->N_Sp-2N=1COS", + kinetics = ArrheniusBM(A=(7.32e+23,'m^3/(mol*s)'), n=-6.51, w0=(360500,'J/mol'), E0=(86297.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_2R!H->N_N-1R!H->N_Sp-2N=1COS',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_2R!H->N_N-1R!H->N_Sp-2N=1COS + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_2R!H->N_N-1R!H->N_Sp-2N=1COS +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_2R!H->N_N-1R!H->N_Sp-2N=1COS +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 12, + label = "Root_3R->H_2R!H->N_N-1R!H->N_N-Sp-2N=1COS", + kinetics = ArrheniusBM(A=(7.24e+23,'m^3/(mol*s)'), n=-6.87, w0=(341500,'J/mol'), E0=(75253.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_2R!H->N_N-1R!H->N_N-Sp-2N=1COS',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_2R!H->N_N-1R!H->N_N-Sp-2N=1COS + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_2R!H->N_N-1R!H->N_N-Sp-2N=1COS +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_2R!H->N_N-1R!H->N_N-Sp-2N=1COS +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 13, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H", + kinetics = ArrheniusBM(A=(0.0111886,'m^3/(mol*s)'), n=2.82838, w0=(291500,'J/mol'), E0=(34666.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10300009360938767, var=2.251646852927197, Tref=1000.0, N=40, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H',), comment="""BM rule fitted to 40 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H + Total Standard Deviation in ln(k): 3.2669971211166464"""), + rank = 11, + shortDesc = """BM rule fitted to 40 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H +Total Standard Deviation in ln(k): 3.2669971211166464""", + longDesc = +""" +BM rule fitted to 40 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H +Total Standard Deviation in ln(k): 3.2669971211166464 +""", +) + +entry( + index = 14, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H", + kinetics = ArrheniusBM(A=(1.31307e+17,'m^3/(mol*s)'), n=-2.53879, w0=(332664,'J/mol'), E0=(102008,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3645056460613554, var=15.16001586974566, Tref=1000.0, N=55, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H',), comment="""BM rule fitted to 55 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H + Total Standard Deviation in ln(k): 8.721452774695104"""), + rank = 11, + shortDesc = """BM rule fitted to 55 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H +Total Standard Deviation in ln(k): 8.721452774695104""", + longDesc = +""" +BM rule fitted to 55 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H +Total Standard Deviation in ln(k): 8.721452774695104 +""", +) + +entry( + index = 15, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_1R!H->N", + kinetics = ArrheniusBM(A=(2.92022e+23,'m^3/(mol*s)'), n=-6.47487, w0=(341667,'J/mol'), E0=(72216.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.1364586744694316, var=3.757975211891581, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_1R!H->N',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_1R!H->N + Total Standard Deviation in ln(k): 6.741702528974368"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_1R!H->N +Total Standard Deviation in ln(k): 6.741702528974368""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_1R!H->N +Total Standard Deviation in ln(k): 6.741702528974368 +""", +) + +entry( + index = 16, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N", + kinetics = ArrheniusBM(A=(2.809e-06,'m^3/(mol*s)'), n=3.88196, w0=(338734,'J/mol'), E0=(32049.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.7761183953810143, var=16.388068997011008, Tref=1000.0, N=288, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N',), comment="""BM rule fitted to 288 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N + Total Standard Deviation in ln(k): 10.065650850408948"""), + rank = 11, + shortDesc = """BM rule fitted to 288 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N +Total Standard Deviation in ln(k): 10.065650850408948""", + longDesc = +""" +BM rule fitted to 288 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N +Total Standard Deviation in ln(k): 10.065650850408948 +""", +) + +entry( + index = 17, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(2.14554,'m^3/(mol*s)'), n=2.13014, w0=(291500,'J/mol'), E0=(34326.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.05055073934972113, var=3.318672984358959, Tref=1000.0, N=14, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R',), comment="""BM rule fitted to 14 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R + Total Standard Deviation in ln(k): 3.779082969513063"""), + rank = 11, + shortDesc = """BM rule fitted to 14 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 3.779082969513063""", + longDesc = +""" +BM rule fitted to 14 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 3.779082969513063 +""", +) + +entry( + index = 18, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0643462,'m^3/(mol*s)'), n=2.56909, w0=(291500,'J/mol'), E0=(46703.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.010202033471359978, var=1.211254319209149, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H=4R!H',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 2.2319845288726388"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 2.2319845288726388""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 2.2319845288726388 +""", +) + +entry( + index = 19, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing", + kinetics = ArrheniusBM(A=(2.72035e+11,'m^3/(mol*s)'), n=-0.981704, w0=(332542,'J/mol'), E0=(83844,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2097641064431832, var=7.552857091830251, Tref=1000.0, N=48, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing',), comment="""BM rule fitted to 48 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing + Total Standard Deviation in ln(k): 6.036551021399428"""), + rank = 11, + shortDesc = """BM rule fitted to 48 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing +Total Standard Deviation in ln(k): 6.036551021399428""", + longDesc = +""" +BM rule fitted to 48 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing +Total Standard Deviation in ln(k): 6.036551021399428 +""", +) + +entry( + index = 20, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_N-1R!H-inRing", + kinetics = ArrheniusBM(A=(1.04961e+12,'m^3/(mol*s)'), n=-0.776895, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.13640216646106137, var=62.71080841561737, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_N-1R!H-inRing',), comment="""BM rule fitted to 7 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_N-1R!H-inRing + Total Standard Deviation in ln(k): 16.218247406322142"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_N-1R!H-inRing +Total Standard Deviation in ln(k): 16.218247406322142""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_N-1R!H-inRing +Total Standard Deviation in ln(k): 16.218247406322142 +""", +) + +entry( + index = 21, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_1R!H->N_Sp-2COS=1N", + kinetics = ArrheniusBM(A=(2.61998e+09,'m^3/(mol*s)'), n=-2.1581, w0=(348000,'J/mol'), E0=(34800,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=9.096551882259751, var=68.16855269679199, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_1R!H->N_Sp-2COS=1N',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_1R!H->N_Sp-2COS=1N + Total Standard Deviation in ln(k): 39.40760267541912"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_1R!H->N_Sp-2COS=1N +Total Standard Deviation in ln(k): 39.40760267541912""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_1R!H->N_Sp-2COS=1N +Total Standard Deviation in ln(k): 39.40760267541912 +""", +) + +entry( + index = 22, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_1R!H->N_N-Sp-2COS=1N", + kinetics = ArrheniusBM(A=(7.24e+23,'m^3/(mol*s)'), n=-6.87, w0=(329000,'J/mol'), E0=(56248.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_1R!H->N_N-Sp-2COS=1N',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_1R!H->N_N-Sp-2COS=1N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_1R!H->N_N-Sp-2COS=1N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_1R!H->N_N-Sp-2COS=1N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 23, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R", + kinetics = ArrheniusBM(A=(0.124565,'m^3/(mol*s)'), n=2.50685, w0=(335423,'J/mol'), E0=(45666.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10161288720850928, var=3.208796688707199, Tref=1000.0, N=234, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R',), comment="""BM rule fitted to 234 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R + Total Standard Deviation in ln(k): 3.846413647764089"""), + rank = 11, + shortDesc = """BM rule fitted to 234 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R +Total Standard Deviation in ln(k): 3.846413647764089""", + longDesc = +""" +BM rule fitted to 234 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R +Total Standard Deviation in ln(k): 3.846413647764089 +""", +) + +entry( + index = 24, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_2COS->O", + kinetics = ArrheniusBM(A=(16.5431,'m^3/(mol*s)'), n=1.91376, w0=(426000,'J/mol'), E0=(51150.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-7.977515854943142, var=163.48603923009944, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_2COS->O',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_2COS->O + Total Standard Deviation in ln(k): 45.67688503422293"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_2COS->O +Total Standard Deviation in ln(k): 45.67688503422293""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_2COS->O +Total Standard Deviation in ln(k): 45.67688503422293 +""", +) + +entry( + index = 25, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O", + kinetics = ArrheniusBM(A=(1.8246e+09,'m^3/(mol*s)'), n=-0.370642, w0=(350279,'J/mol'), E0=(103280,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.7476384882694753, var=31.154735731291552, Tref=1000.0, N=52, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O',), comment="""BM rule fitted to 52 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O + Total Standard Deviation in ln(k): 15.5807664781751"""), + rank = 11, + shortDesc = """BM rule fitted to 52 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O +Total Standard Deviation in ln(k): 15.5807664781751""", + longDesc = +""" +BM rule fitted to 52 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O +Total Standard Deviation in ln(k): 15.5807664781751 +""", +) + +entry( + index = 26, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_5R!H-u1", + kinetics = ArrheniusBM(A=(15847.4,'m^3/(mol*s)'), n=0.982508, w0=(291500,'J/mol'), E0=(27761.2,'J/mol'), Tmin=(303.03,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_5R!H-u1',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_5R!H-u1 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_5R!H-u1 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_5R!H-u1 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 27, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1", + kinetics = ArrheniusBM(A=(4.20149,'m^3/(mol*s)'), n=2.04905, w0=(291500,'J/mol'), E0=(37359.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04593610912197346, var=3.019807451619846, Tref=1000.0, N=13, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1',), comment="""BM rule fitted to 13 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1 + Total Standard Deviation in ln(k): 3.5991644229602207"""), + rank = 11, + shortDesc = """BM rule fitted to 13 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1 +Total Standard Deviation in ln(k): 3.5991644229602207""", + longDesc = +""" +BM rule fitted to 13 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1 +Total Standard Deviation in ln(k): 3.5991644229602207 +""", +) + +entry( + index = 28, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H=4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(30.7663,'m^3/(mol*s)'), n=1.80745, w0=(291500,'J/mol'), E0=(52162.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=4.393327381724704e-16, var=2.307557006778703, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H=4R!H_4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H=4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 3.0453219220350545"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 3.0453219220350545""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 3.0453219220350545 +""", +) + +entry( + index = 29, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H=4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(8.81,'m^3/(mol*s)'), n=1.95, w0=(291500,'J/mol'), E0=(57775,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H=4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H=4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 30, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(5.687,'m^3/(mol*s)'), n=2.03018, w0=(333500,'J/mol'), E0=(55988.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1266111786146608, var=1.8970975477869259, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R',), comment="""BM rule fitted to 8 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R + Total Standard Deviation in ln(k): 3.079343691360759"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 3.079343691360759""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 3.079343691360759 +""", +) + +entry( + index = 31, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(1.58249e+07,'m^3/(mol*s)'), n=0.278796, w0=(331857,'J/mol'), E0=(33185.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0775801565564317, var=12.638807553500945, Tref=1000.0, N=21, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H',), comment="""BM rule fitted to 21 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 7.321978861921632"""), + rank = 11, + shortDesc = """BM rule fitted to 21 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 7.321978861921632""", + longDesc = +""" +BM rule fitted to 21 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 7.321978861921632 +""", +) + +entry( + index = 32, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(5.09575e+07,'m^3/(mol*s)'), n=0.035603, w0=(332895,'J/mol'), E0=(66155.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06244100442723058, var=3.781908870387895, Tref=1000.0, N=19, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 19 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 4.05552142473538"""), + rank = 11, + shortDesc = """BM rule fitted to 19 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 4.05552142473538""", + longDesc = +""" +BM rule fitted to 19 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 4.05552142473538 +""", +) + +entry( + index = 33, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_N-1R!H-inRing_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(6.29448e+06,'m^3/(mol*s)'), n=1.94289, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-6.585038049443446, var=355.19414952111964, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_N-1R!H-inRing_Ext-1R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_N-1R!H-inRing_Ext-1R!H-R + Total Standard Deviation in ln(k): 54.32775216003977"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_N-1R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 54.32775216003977""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_N-1R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 54.32775216003977 +""", +) + +entry( + index = 34, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_N-1R!H-inRing_Ext-2COS-R_Ext-4R!H-R_Ext-2COS-R", + kinetics = ArrheniusBM(A=(696557,'m^3/(mol*s)'), n=0.661268, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.0997099060389204, var=17.59184657449525, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_N-1R!H-inRing_Ext-2COS-R_Ext-4R!H-R_Ext-2COS-R',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_N-1R!H-inRing_Ext-2COS-R_Ext-4R!H-R_Ext-2COS-R + Total Standard Deviation in ln(k): 11.171477442286228"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_N-1R!H-inRing_Ext-2COS-R_Ext-4R!H-R_Ext-2COS-R +Total Standard Deviation in ln(k): 11.171477442286228""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_N-1R!H-inRing_Ext-2COS-R_Ext-4R!H-R_Ext-2COS-R +Total Standard Deviation in ln(k): 11.171477442286228 +""", +) + +entry( + index = 35, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0163575,'m^3/(mol*s)'), n=2.75556, w0=(336170,'J/mol'), E0=(44534.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12644780373257017, var=1.2445546685288518, Tref=1000.0, N=203, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing',), comment="""BM rule fitted to 203 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 2.554182692612444"""), + rank = 11, + shortDesc = """BM rule fitted to 203 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 2.554182692612444""", + longDesc = +""" +BM rule fitted to 203 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 2.554182692612444 +""", +) + +entry( + index = 36, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_1COS->O", + kinetics = ArrheniusBM(A=(7.04983,'m^3/(mol*s)'), n=1.96261, w0=(439778,'J/mol'), E0=(87570.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.9609758703292481, var=4.569114268191346, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_1COS->O',), comment="""BM rule fitted to 9 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_1COS->O + Total Standard Deviation in ln(k): 6.699731012685112"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_1COS->O +Total Standard Deviation in ln(k): 6.699731012685112""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_1COS->O +Total Standard Deviation in ln(k): 6.699731012685112 +""", +) + +entry( + index = 37, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O", + kinetics = ArrheniusBM(A=(694734,'m^3/(mol*s)'), n=0.773189, w0=(331547,'J/mol'), E0=(70630.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06070700431487057, var=8.89673320315853, Tref=1000.0, N=43, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O',), comment="""BM rule fitted to 43 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O + Total Standard Deviation in ln(k): 6.132132085385952"""), + rank = 11, + shortDesc = """BM rule fitted to 43 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O +Total Standard Deviation in ln(k): 6.132132085385952""", + longDesc = +""" +BM rule fitted to 43 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O +Total Standard Deviation in ln(k): 6.132132085385952 +""", +) + +entry( + index = 38, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(0.247936,'m^3/(mol*s)'), n=2.38982, w0=(291500,'J/mol'), E0=(30440.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.044042799796734845, var=4.5551248702894656, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_Ext-1R!H-R',), comment="""BM rule fitted to 9 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_Ext-1R!H-R + Total Standard Deviation in ln(k): 4.3893139544985855"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_Ext-1R!H-R +Total Standard Deviation in ln(k): 4.3893139544985855""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_Ext-1R!H-R +Total Standard Deviation in ln(k): 4.3893139544985855 +""", +) + +entry( + index = 39, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(1.15997,'m^3/(mol*s)'), n=2.20091, w0=(333500,'J/mol'), E0=(55183.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.005438162786088018, var=0.6718553520291499, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 7 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 1.6568805768076769"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.6568805768076769""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.6568805768076769 +""", +) + +entry( + index = 40, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2COS-R", + kinetics = ArrheniusBM(A=(1.87821e+16,'m^3/(mol*s)'), n=-2.26069, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-3.2168688071604143, var=14.709332040769134, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2COS-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2COS-R + Total Standard Deviation in ln(k): 15.771294669408816"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2COS-R +Total Standard Deviation in ln(k): 15.771294669408816""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2COS-R +Total Standard Deviation in ln(k): 15.771294669408816 +""", +) + +entry( + index = 41, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(11409.1,'m^3/(mol*s)'), n=1.20077, w0=(331471,'J/mol'), E0=(33147.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.009588699971110618, var=8.528751233890917, Tref=1000.0, N=17, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R',), comment="""BM rule fitted to 17 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R + Total Standard Deviation in ln(k): 5.878725704806827"""), + rank = 11, + shortDesc = """BM rule fitted to 17 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R +Total Standard Deviation in ln(k): 5.878725704806827""", + longDesc = +""" +BM rule fitted to 17 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R +Total Standard Deviation in ln(k): 5.878725704806827 +""", +) + +entry( + index = 42, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(1.36129e+09,'m^3/(mol*s)'), n=-0.403341, w0=(332781,'J/mol'), E0=(74461.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.13332371707585391, var=3.116462967826894, Tref=1000.0, N=16, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 16 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 3.874044614314924"""), + rank = 11, + shortDesc = """BM rule fitted to 16 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 3.874044614314924""", + longDesc = +""" +BM rule fitted to 16 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 3.874044614314924 +""", +) + +entry( + index = 43, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-5R!H-R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(6.64053e+06,'m^3/(mol*s)'), n=0.441451, w0=(333500,'J/mol'), E0=(51534.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.2679016181172225, var=0.050382590808969736, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-5R!H-R_Ext-1R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-5R!H-R_Ext-1R!H-R + Total Standard Deviation in ln(k): 3.635666629223717"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-5R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 3.635666629223717""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-5R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 3.635666629223717 +""", +) + +entry( + index = 44, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_N-1R!H-inRing_Ext-1R!H-R_Ext-2COS-R_Ext-5R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(105505,'m^3/(mol*s)'), n=1.03609, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(303.03,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_N-1R!H-inRing_Ext-1R!H-R_Ext-2COS-R_Ext-5R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_N-1R!H-inRing_Ext-1R!H-R_Ext-2COS-R_Ext-5R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_N-1R!H-inRing_Ext-1R!H-R_Ext-2COS-R_Ext-5R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_N-1R!H-inRing_Ext-1R!H-R_Ext-2COS-R_Ext-5R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 45, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_N-1R!H-inRing_Ext-2COS-R_Ext-4R!H-R_Ext-2COS-R_Ext-6R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(4.44447e+08,'m^3/(mol*s)'), n=0.0423795, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.550674605796971, var=0.2572149096259676, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_N-1R!H-inRing_Ext-2COS-R_Ext-4R!H-R_Ext-2COS-R_Ext-6R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_N-1R!H-inRing_Ext-2COS-R_Ext-4R!H-R_Ext-2COS-R_Ext-6R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 4.912895995245954"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_N-1R!H-inRing_Ext-2COS-R_Ext-4R!H-R_Ext-2COS-R_Ext-6R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 4.912895995245954""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_N-1R!H-inRing_Ext-2COS-R_Ext-4R!H-R_Ext-2COS-R_Ext-6R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 4.912895995245954 +""", +) + +entry( + index = 46, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0", + kinetics = ArrheniusBM(A=(0.0157296,'m^3/(mol*s)'), n=2.76215, w0=(336197,'J/mol'), E0=(44711.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1246240518507611, var=1.256090478566586, Tref=1000.0, N=201, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0',), comment="""BM rule fitted to 201 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0 + Total Standard Deviation in ln(k): 2.559941465044334"""), + rank = 11, + shortDesc = """BM rule fitted to 201 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0 +Total Standard Deviation in ln(k): 2.559941465044334""", + longDesc = +""" +BM rule fitted to 201 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0 +Total Standard Deviation in ln(k): 2.559941465044334 +""", +) + +entry( + index = 47, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_N-4R!H-u0", + kinetics = ArrheniusBM(A=(0.0501579,'m^3/(mol*s)'), n=2.44417, w0=(333500,'J/mol'), E0=(37431.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0007842106882553935, var=0.019477012165327785, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_N-4R!H-u0',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_N-4R!H-u0 + Total Standard Deviation in ln(k): 0.28175133935731933"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_N-4R!H-u0 +Total Standard Deviation in ln(k): 0.28175133935731933""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_N-4R!H-u0 +Total Standard Deviation in ln(k): 0.28175133935731933 +""", +) + +entry( + index = 48, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_1COS->O_2CS->C", + kinetics = ArrheniusBM(A=(5.82881e-11,'m^3/(mol*s)'), n=5.34758, w0=(450000,'J/mol'), E0=(38644,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.340590572708981, var=0.5074267188509759, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_1COS->O_2CS->C',), comment="""BM rule fitted to 8 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_1COS->O_2CS->C + Total Standard Deviation in ln(k): 2.2838060022650764"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_1COS->O_2CS->C +Total Standard Deviation in ln(k): 2.2838060022650764""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_1COS->O_2CS->C +Total Standard Deviation in ln(k): 2.2838060022650764 +""", +) + +entry( + index = 49, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_1COS->O_N-2CS->C", + kinetics = ArrheniusBM(A=(118.5,'m^3/(mol*s)'), n=1.63, w0=(358000,'J/mol'), E0=(35800,'J/mol'), Tmin=(300,'K'), Tmax=(1700,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_1COS->O_N-2CS->C',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_1COS->O_N-2CS->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_1COS->O_N-2CS->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_1COS->O_N-2CS->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 50, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS", + kinetics = ArrheniusBM(A=(1.0331e+06,'m^3/(mol*s)'), n=0.724063, w0=(334074,'J/mol'), E0=(70946.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08121763538102422, var=10.942585300456058, Tref=1000.0, N=34, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS',), comment="""BM rule fitted to 34 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS + Total Standard Deviation in ln(k): 6.835643596357214"""), + rank = 11, + shortDesc = """BM rule fitted to 34 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS +Total Standard Deviation in ln(k): 6.835643596357214""", + longDesc = +""" +BM rule fitted to 34 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS +Total Standard Deviation in ln(k): 6.835643596357214 +""", +) + +entry( + index = 51, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_N-Sp-2CS=1CCSS", + kinetics = ArrheniusBM(A=(4.01758,'m^3/(mol*s)'), n=2.27724, w0=(322000,'J/mol'), E0=(32200,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.05725864600966839, var=0.6137242391678732, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_N-Sp-2CS=1CCSS',), comment="""BM rule fitted to 9 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_N-Sp-2CS=1CCSS + Total Standard Deviation in ln(k): 1.7143865094147035"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_N-Sp-2CS=1CCSS +Total Standard Deviation in ln(k): 1.7143865094147035""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_N-Sp-2CS=1CCSS +Total Standard Deviation in ln(k): 1.7143865094147035 +""", +) + +entry( + index = 52, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_5R!H-inRing", + kinetics = ArrheniusBM(A=(0.0383654,'m^3/(mol*s)'), n=2.64022, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09114104761456109, var=0.557436589871778, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_5R!H-inRing',), comment="""BM rule fitted to 5 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_5R!H-inRing + Total Standard Deviation in ln(k): 1.7257664199920806"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_5R!H-inRing +Total Standard Deviation in ln(k): 1.7257664199920806""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_5R!H-inRing +Total Standard Deviation in ln(k): 1.7257664199920806 +""", +) + +entry( + index = 53, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-5R!H-inRing", + kinetics = ArrheniusBM(A=(0.000629621,'m^3/(mol*s)'), n=3.11105, w0=(333500,'J/mol'), E0=(38831.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.0807451361280302, var=0.14996821400125687, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-5R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-5R!H-inRing + Total Standard Deviation in ln(k): 3.491788327592267"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-5R!H-inRing +Total Standard Deviation in ln(k): 3.491788327592267""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-5R!H-inRing +Total Standard Deviation in ln(k): 3.491788327592267 +""", +) + +entry( + index = 54, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2COS-R_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(5.39151e+07,'m^3/(mol*s)'), n=-0.0254766, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(303.03,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2COS-R_Ext-4R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2COS-R_Ext-4R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2COS-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2COS-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 55, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H", + kinetics = ArrheniusBM(A=(3797.6,'m^3/(mol*s)'), n=1.32796, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0027698647350567315, var=9.830164757090088, Tref=1000.0, N=14, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H',), comment="""BM rule fitted to 14 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H + Total Standard Deviation in ln(k): 6.2924241033548025"""), + rank = 11, + shortDesc = """BM rule fitted to 14 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H +Total Standard Deviation in ln(k): 6.2924241033548025""", + longDesc = +""" +BM rule fitted to 14 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H +Total Standard Deviation in ln(k): 6.2924241033548025 +""", +) + +entry( + index = 56, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_N-Sp-2COS=1R!H", + kinetics = ArrheniusBM(A=(1.36782e+07,'m^3/(mol*s)'), n=0.381078, w0=(322000,'J/mol'), E0=(32200,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.006640295044659134, var=1.7279524294943893, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_N-Sp-2COS=1R!H',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_N-Sp-2COS=1R!H + Total Standard Deviation in ln(k): 2.651940581273067"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_N-Sp-2COS=1R!H +Total Standard Deviation in ln(k): 2.651940581273067""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_N-Sp-2COS=1R!H +Total Standard Deviation in ln(k): 2.651940581273067 +""", +) + +entry( + index = 57, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-5R!H-4R!H", + kinetics = ArrheniusBM(A=(1.48353e+10,'m^3/(mol*s)'), n=-0.709861, w0=(333500,'J/mol'), E0=(77326.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03945161208541264, var=3.76484737192257, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-5R!H-4R!H',), comment="""BM rule fitted to 10 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-5R!H-4R!H + Total Standard Deviation in ln(k): 3.988955147719398"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-5R!H-4R!H +Total Standard Deviation in ln(k): 3.988955147719398""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-5R!H-4R!H +Total Standard Deviation in ln(k): 3.988955147719398 +""", +) + +entry( + index = 58, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-5R!H-R_Ext-1R!H-R_Ext-2COS-R", + kinetics = ArrheniusBM(A=(4.01902e+07,'m^3/(mol*s)'), n=0.244747, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(303.03,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-5R!H-R_Ext-1R!H-R_Ext-2COS-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-5R!H-R_Ext-1R!H-R_Ext-2COS-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-5R!H-R_Ext-1R!H-R_Ext-2COS-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-5R!H-R_Ext-1R!H-R_Ext-2COS-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 59, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_N-1R!H-inRing_Ext-2COS-R_Ext-4R!H-R_Ext-2COS-R_Ext-6R!H-R_Ext-5R!H-R_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(5411.18,'m^3/(mol*s)'), n=1.5517, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(303.03,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_N-1R!H-inRing_Ext-2COS-R_Ext-4R!H-R_Ext-2COS-R_Ext-6R!H-R_Ext-5R!H-R_Ext-4R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_N-1R!H-inRing_Ext-2COS-R_Ext-4R!H-R_Ext-2COS-R_Ext-6R!H-R_Ext-5R!H-R_Ext-4R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_N-1R!H-inRing_Ext-2COS-R_Ext-4R!H-R_Ext-2COS-R_Ext-6R!H-R_Ext-5R!H-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_N-1R!H-inRing_Ext-2COS-R_Ext-4R!H-R_Ext-2COS-R_Ext-6R!H-R_Ext-5R!H-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 60, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R", + kinetics = ArrheniusBM(A=(0.0161496,'m^3/(mol*s)'), n=2.79715, w0=(332483,'J/mol'), E0=(44321.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.134220873842536, var=1.6050419242175076, Tref=1000.0, N=147, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R',), comment="""BM rule fitted to 147 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R + Total Standard Deviation in ln(k): 2.877042241824744"""), + rank = 11, + shortDesc = """BM rule fitted to 147 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R +Total Standard Deviation in ln(k): 2.877042241824744""", + longDesc = +""" +BM rule fitted to 147 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R +Total Standard Deviation in ln(k): 2.877042241824744 +""", +) + +entry( + index = 61, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_2COS->O", + kinetics = ArrheniusBM(A=(1.0087e-08,'m^3/(mol*s)'), n=4.54822, w0=(426000,'J/mol'), E0=(13364.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.34046755008188256, var=0.8749955773726366, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_2COS->O',), comment="""BM rule fitted to 8 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_2COS->O + Total Standard Deviation in ln(k): 2.7306993192603124"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_2COS->O +Total Standard Deviation in ln(k): 2.7306993192603124""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_2COS->O +Total Standard Deviation in ln(k): 2.7306993192603124 +""", +) + +entry( + index = 62, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O", + kinetics = ArrheniusBM(A=(0.000818947,'m^3/(mol*s)'), n=3.1071, w0=(332446,'J/mol'), E0=(35393,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.14962059946182704, var=1.087346597106985, Tref=1000.0, N=46, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O',), comment="""BM rule fitted to 46 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O + Total Standard Deviation in ln(k): 2.46638695375527"""), + rank = 11, + shortDesc = """BM rule fitted to 46 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O +Total Standard Deviation in ln(k): 2.46638695375527""", + longDesc = +""" +BM rule fitted to 46 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O +Total Standard Deviation in ln(k): 2.46638695375527 +""", +) + +entry( + index = 63, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_N-4R!H-u0_Ext-2COS-R", + kinetics = ArrheniusBM(A=(10.8,'m^3/(mol*s)'), n=1.84, w0=(333500,'J/mol'), E0=(48372.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_N-4R!H-u0_Ext-2COS-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_N-4R!H-u0_Ext-2COS-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_N-4R!H-u0_Ext-2COS-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_N-4R!H-u0_Ext-2COS-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 64, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_1COS->O_2CS->C_Ext-2C-R", + kinetics = ArrheniusBM(A=(1.04322e-10,'m^3/(mol*s)'), n=5.27299, w0=(450000,'J/mol'), E0=(36541,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.29316329821689224, var=0.2170790947503427, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_1COS->O_2CS->C_Ext-2C-R',), comment="""BM rule fitted to 6 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_1COS->O_2CS->C_Ext-2C-R + Total Standard Deviation in ln(k): 1.6706323095210307"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_1COS->O_2CS->C_Ext-2C-R +Total Standard Deviation in ln(k): 1.6706323095210307""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_1COS->O_2CS->C_Ext-2C-R +Total Standard Deviation in ln(k): 1.6706323095210307 +""", +) + +entry( + index = 65, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C", + kinetics = ArrheniusBM(A=(1.83959e+09,'m^3/(mol*s)'), n=-0.214619, w0=(333409,'J/mol'), E0=(80452.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.0580982451672538, var=23.336600458292537, Tref=1000.0, N=33, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C',), comment="""BM rule fitted to 33 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C + Total Standard Deviation in ln(k): 12.343006668746721"""), + rank = 11, + shortDesc = """BM rule fitted to 33 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C +Total Standard Deviation in ln(k): 12.343006668746721""", + longDesc = +""" +BM rule fitted to 33 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C +Total Standard Deviation in ln(k): 12.343006668746721 +""", +) + +entry( + index = 66, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_N-2CS->C", + kinetics = ArrheniusBM(A=(462,'m^3/(mol*s)'), n=1.7, w0=(356000,'J/mol'), E0=(35600,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_N-2CS->C',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_N-2CS->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_N-2CS->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_N-2CS->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 67, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R", + kinetics = ArrheniusBM(A=(4.06824,'m^3/(mol*s)'), n=2.2758, w0=(322000,'J/mol'), E0=(32200,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.055943960007763326, var=0.6165181678740951, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R',), comment="""BM rule fitted to 8 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R + Total Standard Deviation in ln(k): 1.7146540512750215"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R +Total Standard Deviation in ln(k): 1.7146540512750215""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R +Total Standard Deviation in ln(k): 1.7146540512750215 +""", +) + +entry( + index = 68, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_5R!H-inRing_Ext-5R!H-R_Ext-9R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(1.38337,'m^3/(mol*s)'), n=2.20196, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.5490934140059549, var=0.08469429449023509, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_5R!H-inRing_Ext-5R!H-R_Ext-9R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_5R!H-inRing_Ext-5R!H-R_Ext-9R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.9630553929025103"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_5R!H-inRing_Ext-5R!H-R_Ext-9R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.9630553929025103""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_5R!H-inRing_Ext-5R!H-R_Ext-9R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.9630553929025103 +""", +) + +entry( + index = 69, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_5R!H-inRing_Ext-5R!H-R_Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00897441,'m^3/(mol*s)'), n=2.83796, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.2077255176275774, var=0.0013016188019512147, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_5R!H-inRing_Ext-5R!H-R_Sp-9R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_5R!H-inRing_Ext-5R!H-R_Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 3.1068129661307906"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_5R!H-inRing_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 3.1068129661307906""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_5R!H-inRing_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 3.1068129661307906 +""", +) + +entry( + index = 70, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_5R!H-inRing_Ext-5R!H-R_N-Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(45.45,'m^3/(mol*s)'), n=1.71, w0=(333500,'J/mol'), E0=(33350,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_5R!H-inRing_Ext-5R!H-R_N-Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_5R!H-inRing_Ext-5R!H-R_N-Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_5R!H-inRing_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_5R!H-inRing_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 71, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-5R!H-inRing_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(205.9,'m^3/(mol*s)'), n=1.596, w0=(333500,'J/mol'), E0=(65100.7,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-5R!H-inRing_Ext-4R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-5R!H-inRing_Ext-4R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-5R!H-inRing_Ext-4R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-5R!H-inRing_Ext-4R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 72, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(28.9702,'m^3/(mol*s)'), n=1.84953, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.044269258351578786, var=3.549036643735466, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 5 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 3.887927056323619"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 3.887927056323619""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 3.887927056323619 +""", +) + +entry( + index = 73, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(3.73983e+07,'m^3/(mol*s)'), n=0.307643, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.16126868631667957, var=11.949184896072397, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 7 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 7.335084338132054"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 7.335084338132054""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 7.335084338132054 +""", +) + +entry( + index = 74, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(418.5,'m^3/(mol*s)'), n=1.488, w0=(333500,'J/mol'), E0=(33350,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-4R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-4R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-4R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-4R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 75, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_N-Sp-2COS=1R!H_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(9.99689e+07,'m^3/(mol*s)'), n=0.167027, w0=(322000,'J/mol'), E0=(32200,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0010064379313563052, var=0.0, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_N-Sp-2COS=1R!H_Ext-4R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_N-Sp-2COS=1R!H_Ext-4R!H-R + Total Standard Deviation in ln(k): 0.0025287385209957418"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_N-Sp-2COS=1R!H_Ext-4R!H-R +Total Standard Deviation in ln(k): 0.0025287385209957418""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_N-Sp-2COS=1R!H_Ext-4R!H-R +Total Standard Deviation in ln(k): 0.0025287385209957418 +""", +) + +entry( + index = 76, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-5R!H-4R!H_Sp-4R!H-2COS", + kinetics = ArrheniusBM(A=(1246.97,'m^3/(mol*s)'), n=1.29738, w0=(333500,'J/mol'), E0=(50271.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.045717300630302174, var=3.196094835028324, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-5R!H-4R!H_Sp-4R!H-2COS',), comment="""BM rule fitted to 9 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-5R!H-4R!H_Sp-4R!H-2COS + Total Standard Deviation in ln(k): 3.698857827405241"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-5R!H-4R!H_Sp-4R!H-2COS +Total Standard Deviation in ln(k): 3.698857827405241""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-5R!H-4R!H_Sp-4R!H-2COS +Total Standard Deviation in ln(k): 3.698857827405241 +""", +) + +entry( + index = 77, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-5R!H-4R!H_N-Sp-4R!H-2COS", + kinetics = ArrheniusBM(A=(2.5895e+06,'m^3/(mol*s)'), n=0.61, w0=(333500,'J/mol'), E0=(33350,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-5R!H-4R!H_N-Sp-4R!H-2COS',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-5R!H-4R!H_N-Sp-4R!H-2COS + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-5R!H-4R!H_N-Sp-4R!H-2COS +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-5R!H-4R!H_N-Sp-4R!H-2COS +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 78, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS", + kinetics = ArrheniusBM(A=(0.0158048,'m^3/(mol*s)'), n=2.76835, w0=(333500,'J/mol'), E0=(44315.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12478363795312122, var=1.674742203799887, Tref=1000.0, N=134, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS',), comment="""BM rule fitted to 134 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS + Total Standard Deviation in ln(k): 2.9078911016089224"""), + rank = 11, + shortDesc = """BM rule fitted to 134 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS +Total Standard Deviation in ln(k): 2.9078911016089224""", + longDesc = +""" +BM rule fitted to 134 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS +Total Standard Deviation in ln(k): 2.9078911016089224 +""", +) + +entry( + index = 79, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS", + kinetics = ArrheniusBM(A=(455.556,'m^3/(mol*s)'), n=1.59475, w0=(322000,'J/mol'), E0=(61337.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03229219113385481, var=0.8777655139278804, Tref=1000.0, N=13, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS',), comment="""BM rule fitted to 13 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS + Total Standard Deviation in ln(k): 1.9593552317458671"""), + rank = 11, + shortDesc = """BM rule fitted to 13 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS +Total Standard Deviation in ln(k): 1.9593552317458671""", + longDesc = +""" +BM rule fitted to 13 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS +Total Standard Deviation in ln(k): 1.9593552317458671 +""", +) + +entry( + index = 80, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_2COS->O_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(2.91346e-10,'m^3/(mol*s)'), n=5.0294, w0=(426000,'J/mol'), E0=(11772.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3064982654303186, var=3.4991867211950365, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_2COS->O_Ext-4R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_2COS->O_Ext-4R!H-R + Total Standard Deviation in ln(k): 4.520176279396257"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_2COS->O_Ext-4R!H-R +Total Standard Deviation in ln(k): 4.520176279396257""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_2COS->O_Ext-4R!H-R +Total Standard Deviation in ln(k): 4.520176279396257 +""", +) + +entry( + index = 81, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_2COS->O_Sp-4R!H-1COS", + kinetics = ArrheniusBM(A=(53.5695,'m^3/(mol*s)'), n=1.67072, w0=(426000,'J/mol'), E0=(45688.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.1624744252043565e-15, var=0.6779301176091126, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_2COS->O_Sp-4R!H-1COS',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_2COS->O_Sp-4R!H-1COS + Total Standard Deviation in ln(k): 1.650628933642531"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_2COS->O_Sp-4R!H-1COS +Total Standard Deviation in ln(k): 1.650628933642531""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_2COS->O_Sp-4R!H-1COS +Total Standard Deviation in ln(k): 1.650628933642531 +""", +) + +entry( + index = 82, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_2COS->O_N-Sp-4R!H-1COS", + kinetics = ArrheniusBM(A=(4.59064e-08,'m^3/(mol*s)'), n=4.36315, w0=(426000,'J/mol'), E0=(14032.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.7684118426304227, var=37.722331958341464, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_2COS->O_N-Sp-4R!H-1COS',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_2COS->O_N-Sp-4R!H-1COS + Total Standard Deviation in ln(k): 14.24346687625707"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_2COS->O_N-Sp-4R!H-1COS +Total Standard Deviation in ln(k): 14.24346687625707""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_2COS->O_N-Sp-4R!H-1COS +Total Standard Deviation in ln(k): 14.24346687625707 +""", +) + +entry( + index = 83, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_4R!H->N", + kinetics = ArrheniusBM(A=(31.41,'m^3/(mol*s)'), n=1.767, w0=(333500,'J/mol'), E0=(54390,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_4R!H->N',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_4R!H->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_4R!H->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_4R!H->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 84, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N", + kinetics = ArrheniusBM(A=(0.000588518,'m^3/(mol*s)'), n=3.15104, w0=(332422,'J/mol'), E0=(26361.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1941642299436964, var=1.1046589902058082, Tref=1000.0, N=45, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N',), comment="""BM rule fitted to 45 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N + Total Standard Deviation in ln(k): 2.5948816964449946"""), + rank = 11, + shortDesc = """BM rule fitted to 45 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N +Total Standard Deviation in ln(k): 2.5948816964449946""", + longDesc = +""" +BM rule fitted to 45 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N +Total Standard Deviation in ln(k): 2.5948816964449946 +""", +) + +entry( + index = 85, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_1COS->O_2CS->C_Ext-2C-R_Ext-2C-R", + kinetics = ArrheniusBM(A=(5.44871e-12,'m^3/(mol*s)'), n=5.63495, w0=(450000,'J/mol'), E0=(30100.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.48785948817704833, var=0.15487435357302426, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_1COS->O_2CS->C_Ext-2C-R_Ext-2C-R',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_1COS->O_2CS->C_Ext-2C-R_Ext-2C-R + Total Standard Deviation in ln(k): 2.014722635039876"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_1COS->O_2CS->C_Ext-2C-R_Ext-2C-R +Total Standard Deviation in ln(k): 2.014722635039876""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_1COS->O_2CS->C_Ext-2C-R_Ext-2C-R +Total Standard Deviation in ln(k): 2.014722635039876 +""", +) + +entry( + index = 86, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_1COS->O_2CS->C_Ext-2C-R_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(2.55659e-09,'m^3/(mol*s)'), n=4.88236, w0=(450000,'J/mol'), E0=(47990.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.75229658142605, var=2.0423513726001716, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_1COS->O_2CS->C_Ext-2C-R_Ext-4R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_1COS->O_2CS->C_Ext-2C-R_Ext-4R!H-R + Total Standard Deviation in ln(k): 7.267739356918589"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_1COS->O_2CS->C_Ext-2C-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 7.267739356918589""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_1COS->O_2CS->C_Ext-2C-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 7.267739356918589 +""", +) + +entry( + index = 87, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R", + kinetics = ArrheniusBM(A=(0.000127455,'m^3/(mol*s)'), n=3.45797, w0=(333450,'J/mol'), E0=(10591.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.16507145904438222, var=18.04690017242554, Tref=1000.0, N=30, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R',), comment="""BM rule fitted to 30 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R + Total Standard Deviation in ln(k): 8.931196456011829"""), + rank = 11, + shortDesc = """BM rule fitted to 30 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R +Total Standard Deviation in ln(k): 8.931196456011829""", + longDesc = +""" +BM rule fitted to 30 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R +Total Standard Deviation in ln(k): 8.931196456011829 +""", +) + +entry( + index = 88, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_1CS->C", + kinetics = ArrheniusBM(A=(638.168,'m^3/(mol*s)'), n=1.35775, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.5560569570743639, var=0.9823716859223588, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_1CS->C',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_1CS->C + Total Standard Deviation in ln(k): 3.384114493109583"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_1CS->C +Total Standard Deviation in ln(k): 3.384114493109583""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_1CS->C +Total Standard Deviation in ln(k): 3.384114493109583 +""", +) + +entry( + index = 89, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_N-1CS->C", + kinetics = ArrheniusBM(A=(950,'m^3/(mol*s)'), n=1.7, w0=(332000,'J/mol'), E0=(33200,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_N-1CS->C',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_N-1CS->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_N-1CS->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_N-1CS->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 90, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(4.16465,'m^3/(mol*s)'), n=2.27252, w0=(322000,'J/mol'), E0=(32200,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.05508198613332844, var=0.6212517250681918, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_Ext-4R!H-R',), comment="""BM rule fitted to 7 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_Ext-4R!H-R + Total Standard Deviation in ln(k): 1.7185195811884613"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 1.7185195811884613""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 1.7185195811884613 +""", +) + +entry( + index = 91, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_5R!H-inRing_Ext-5R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(50.4722,'m^3/(mol*s)'), n=1.74188, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(303.03,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_5R!H-inRing_Ext-5R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-4R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_5R!H-inRing_Ext-5R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-4R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_5R!H-inRing_Ext-5R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_5R!H-inRing_Ext-5R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 92, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_5R!H-inRing_Ext-5R!H-R_Sp-9R!H=5R!H_Ext-2COS-R", + kinetics = ArrheniusBM(A=(126,'m^3/(mol*s)'), n=1.63, w0=(333500,'J/mol'), E0=(33350,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_5R!H-inRing_Ext-5R!H-R_Sp-9R!H=5R!H_Ext-2COS-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_5R!H-inRing_Ext-5R!H-R_Sp-9R!H=5R!H_Ext-2COS-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_5R!H-inRing_Ext-5R!H-R_Sp-9R!H=5R!H_Ext-2COS-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_5R!H-inRing_Ext-5R!H-R_Sp-9R!H=5R!H_Ext-2COS-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 93, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-5R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(4025,'m^3/(mol*s)'), n=1.52, w0=(333500,'J/mol'), E0=(33350,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-5R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-5R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-5R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-5R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 94, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-5R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(1.46859,'m^3/(mol*s)'), n=2.23286, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.062083704985685245, var=0.4586916904247956, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-5R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-5R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.5137317498683653"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-5R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.5137317498683653""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-5R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.5137317498683653 +""", +) + +entry( + index = 95, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-7R!H-R_Int-8R!H-4R!H", + kinetics = ArrheniusBM(A=(0.00126222,'m^3/(mol*s)'), n=2.86461, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(303.03,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-7R!H-R_Int-8R!H-4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-7R!H-R_Int-8R!H-4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-7R!H-R_Int-8R!H-4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-7R!H-R_Int-8R!H-4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 96, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-7R!H-R_8R!H-inRing", + kinetics = ArrheniusBM(A=(276.116,'m^3/(mol*s)'), n=1.77183, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.44707526547125304, var=2.8790674383949098, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-7R!H-R_8R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-7R!H-R_8R!H-inRing + Total Standard Deviation in ln(k): 4.524902066817018"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-7R!H-R_8R!H-inRing +Total Standard Deviation in ln(k): 4.524902066817018""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-7R!H-R_8R!H-inRing +Total Standard Deviation in ln(k): 4.524902066817018 +""", +) + +entry( + index = 97, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-7R!H-R_N-8R!H-inRing", + kinetics = ArrheniusBM(A=(1.41273e+10,'m^3/(mol*s)'), n=-0.35191, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.23252316870920658, var=8.719028360804435, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-7R!H-R_N-8R!H-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-7R!H-R_N-8R!H-inRing + Total Standard Deviation in ln(k): 6.503810980432002"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-7R!H-R_N-8R!H-inRing +Total Standard Deviation in ln(k): 6.503810980432002""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-7R!H-R_N-8R!H-inRing +Total Standard Deviation in ln(k): 6.503810980432002 +""", +) + +entry( + index = 98, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_N-Sp-2COS=1R!H_Ext-4R!H-R_5R!H-inRing", + kinetics = ArrheniusBM(A=(9.919e+07,'m^3/(mol*s)'), n=0.168, w0=(322000,'J/mol'), E0=(32200,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_N-Sp-2COS=1R!H_Ext-4R!H-R_5R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_N-Sp-2COS=1R!H_Ext-4R!H-R_5R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_N-Sp-2COS=1R!H_Ext-4R!H-R_5R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_N-Sp-2COS=1R!H_Ext-4R!H-R_5R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 99, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_N-Sp-2COS=1R!H_Ext-4R!H-R_N-5R!H-inRing", + kinetics = ArrheniusBM(A=(9.919e+07,'m^3/(mol*s)'), n=0.168, w0=(322000,'J/mol'), E0=(32200,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_N-Sp-2COS=1R!H_Ext-4R!H-R_N-5R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_N-Sp-2COS=1R!H_Ext-4R!H-R_N-5R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_N-Sp-2COS=1R!H_Ext-4R!H-R_N-5R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_N-Sp-2COS=1R!H_Ext-4R!H-R_N-5R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 100, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-5R!H-4R!H_Sp-4R!H-2COS_7R!H-inRing", + kinetics = ArrheniusBM(A=(1021.5,'m^3/(mol*s)'), n=1.33731, w0=(333500,'J/mol'), E0=(58242.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10680362354313178, var=2.475802433213318, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-5R!H-4R!H_Sp-4R!H-2COS_7R!H-inRing',), comment="""BM rule fitted to 7 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-5R!H-4R!H_Sp-4R!H-2COS_7R!H-inRing + Total Standard Deviation in ln(k): 3.422737870220716"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-5R!H-4R!H_Sp-4R!H-2COS_7R!H-inRing +Total Standard Deviation in ln(k): 3.422737870220716""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-5R!H-4R!H_Sp-4R!H-2COS_7R!H-inRing +Total Standard Deviation in ln(k): 3.422737870220716 +""", +) + +entry( + index = 101, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-5R!H-4R!H_Sp-4R!H-2COS_N-7R!H-inRing", + kinetics = ArrheniusBM(A=(1.02065e+10,'m^3/(mol*s)'), n=-0.743758, w0=(333500,'J/mol'), E0=(50275.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4556901320161232, var=12.547062576667667, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-5R!H-4R!H_Sp-4R!H-2COS_N-7R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-5R!H-4R!H_Sp-4R!H-2COS_N-7R!H-inRing + Total Standard Deviation in ln(k): 8.246089205492183"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-5R!H-4R!H_Sp-4R!H-2COS_N-7R!H-inRing +Total Standard Deviation in ln(k): 8.246089205492183""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-5R!H-4R!H_Sp-4R!H-2COS_N-7R!H-inRing +Total Standard Deviation in ln(k): 8.246089205492183 +""", +) + +entry( + index = 102, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing", + kinetics = ArrheniusBM(A=(0.00272345,'m^3/(mol*s)'), n=2.9503, w0=(333500,'J/mol'), E0=(26295.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1286916885411886, var=0.6460900546057075, Tref=1000.0, N=120, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing',), comment="""BM rule fitted to 120 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing + Total Standard Deviation in ln(k): 1.934746537564072"""), + rank = 11, + shortDesc = """BM rule fitted to 120 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing +Total Standard Deviation in ln(k): 1.934746537564072""", + longDesc = +""" +BM rule fitted to 120 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing +Total Standard Deviation in ln(k): 1.934746537564072 +""", +) + +entry( + index = 103, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_5R!H-inRing", + kinetics = ArrheniusBM(A=(0.00543077,'m^3/(mol*s)'), n=2.99747, w0=(322000,'J/mol'), E0=(32200,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.763530865219102, var=1.2264736470267725, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_5R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_5R!H-inRing + Total Standard Deviation in ln(k): 6.651151408709612"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_5R!H-inRing +Total Standard Deviation in ln(k): 6.651151408709612""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_5R!H-inRing +Total Standard Deviation in ln(k): 6.651151408709612 +""", +) + +entry( + index = 104, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing", + kinetics = ArrheniusBM(A=(3.39771,'m^3/(mol*s)'), n=2.22841, w0=(322000,'J/mol'), E0=(40108.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.05705882116195341, var=0.31392921098851373, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing',), comment="""BM rule fitted to 11 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing + Total Standard Deviation in ln(k): 1.2666046296236597"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing +Total Standard Deviation in ln(k): 1.2666046296236597""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing +Total Standard Deviation in ln(k): 1.2666046296236597 +""", +) + +entry( + index = 105, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_2COS->O_Ext-4R!H-R_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(147.636,'m^3/(mol*s)'), n=1.74381, w0=(426000,'J/mol'), E0=(50974.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.017573812816746484, var=4.054382311829929, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_2COS->O_Ext-4R!H-R_Sp-5R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_2COS->O_Ext-4R!H-R_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 4.0807889811618105"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_2COS->O_Ext-4R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 4.0807889811618105""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_2COS->O_Ext-4R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 4.0807889811618105 +""", +) + +entry( + index = 106, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_2COS->O_Ext-4R!H-R_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(75.8293,'m^3/(mol*s)'), n=1.68135, w0=(426000,'J/mol'), E0=(63709.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.021787052528146063, var=1.108291403594194, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_2COS->O_Ext-4R!H-R_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_2COS->O_Ext-4R!H-R_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 2.1652346086978165"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_2COS->O_Ext-4R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 2.1652346086978165""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_2COS->O_Ext-4R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 2.1652346086978165 +""", +) + +entry( + index = 107, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_2COS->O_N-Sp-4R!H-1COS_4R!H->C", + kinetics = ArrheniusBM(A=(2.59494e+08,'m^3/(mol*s)'), n=-0.235175, w0=(426000,'J/mol'), E0=(98163.1,'J/mol'), Tmin=(303.03,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_2COS->O_N-Sp-4R!H-1COS_4R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_2COS->O_N-Sp-4R!H-1COS_4R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_2COS->O_N-Sp-4R!H-1COS_4R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_2COS->O_N-Sp-4R!H-1COS_4R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 108, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_2COS->O_N-Sp-4R!H-1COS_N-4R!H->C", + kinetics = ArrheniusBM(A=(8410,'m^3/(mol*s)'), n=1.23, w0=(426000,'J/mol'), E0=(52636.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_2COS->O_N-Sp-4R!H-1COS_N-4R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_2COS->O_N-Sp-4R!H-1COS_N-4R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_2COS->O_N-Sp-4R!H-1COS_N-4R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_2COS->O_N-Sp-4R!H-1COS_N-4R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 109, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R", + kinetics = ArrheniusBM(A=(1000.01,'m^3/(mol*s)'), n=1.34721, w0=(328345,'J/mol'), E0=(66230.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.005891888157995775, var=0.6670333943571889, Tref=1000.0, N=29, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R',), comment="""BM rule fitted to 29 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R + Total Standard Deviation in ln(k): 1.652113224784408"""), + rank = 11, + shortDesc = """BM rule fitted to 29 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R +Total Standard Deviation in ln(k): 1.652113224784408""", + longDesc = +""" +BM rule fitted to 29 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R +Total Standard Deviation in ln(k): 1.652113224784408 +""", +) + +entry( + index = 110, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_4COS->C", + kinetics = ArrheniusBM(A=(2.7478,'m^3/(mol*s)'), n=2.06495, w0=(337808,'J/mol'), E0=(23024.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.32696585327791405, var=3.8487616601833214, Tref=1000.0, N=13, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_4COS->C',), comment="""BM rule fitted to 13 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_4COS->C + Total Standard Deviation in ln(k): 4.754463849753353"""), + rank = 11, + shortDesc = """BM rule fitted to 13 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_4COS->C +Total Standard Deviation in ln(k): 4.754463849753353""", + longDesc = +""" +BM rule fitted to 13 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_4COS->C +Total Standard Deviation in ln(k): 4.754463849753353 +""", +) + +entry( + index = 111, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_N-4COS->C", + kinetics = ArrheniusBM(A=(8.7554e-07,'m^3/(mol*s)'), n=4.10692, w0=(348500,'J/mol'), E0=(32952.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.4824765992345895, var=2.42401633825005, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_N-4COS->C',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_N-4COS->C + Total Standard Deviation in ln(k): 4.33347549051267"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_N-4COS->C +Total Standard Deviation in ln(k): 4.33347549051267""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_N-4COS->C +Total Standard Deviation in ln(k): 4.33347549051267 +""", +) + +entry( + index = 112, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_1COS->O_2CS->C_Ext-2C-R_Ext-2C-R_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(1.77149e-10,'m^3/(mol*s)'), n=5.13024, w0=(450000,'J/mol'), E0=(39233.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.8008437571891736, var=5.017155786662618, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_1COS->O_2CS->C_Ext-2C-R_Ext-2C-R_Ext-4R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_1COS->O_2CS->C_Ext-2C-R_Ext-2C-R_Ext-4R!H-R + Total Standard Deviation in ln(k): 9.0151408481963"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_1COS->O_2CS->C_Ext-2C-R_Ext-2C-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 9.0151408481963""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_1COS->O_2CS->C_Ext-2C-R_Ext-2C-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 9.0151408481963 +""", +) + +entry( + index = 113, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_1COS->O_2CS->C_Ext-2C-R_Ext-4R!H-R_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.373,'m^3/(mol*s)'), n=2.53, w0=(450000,'J/mol'), E0=(80307.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_1COS->O_2CS->C_Ext-2C-R_Ext-4R!H-R_Sp-5R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_1COS->O_2CS->C_Ext-2C-R_Ext-4R!H-R_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_1COS->O_2CS->C_Ext-2C-R_Ext-4R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_1COS->O_2CS->C_Ext-2C-R_Ext-4R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 114, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_1COS->O_2CS->C_Ext-2C-R_Ext-4R!H-R_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(1.07,'m^3/(mol*s)'), n=2.43, w0=(450000,'J/mol'), E0=(45000,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_1COS->O_2CS->C_Ext-2C-R_Ext-4R!H-R_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_1COS->O_2CS->C_Ext-2C-R_Ext-4R!H-R_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_1COS->O_2CS->C_Ext-2C-R_Ext-4R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_1COS->O_2CS->C_Ext-2C-R_Ext-4R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 115, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C", + kinetics = ArrheniusBM(A=(29.7348,'m^3/(mol*s)'), n=1.90592, w0=(333440,'J/mol'), E0=(45461.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04105958393762836, var=1.5085406969745845, Tref=1000.0, N=25, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C',), comment="""BM rule fitted to 25 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C + Total Standard Deviation in ln(k): 2.565433826462188"""), + rank = 11, + shortDesc = """BM rule fitted to 25 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C +Total Standard Deviation in ln(k): 2.565433826462188""", + longDesc = +""" +BM rule fitted to 25 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C +Total Standard Deviation in ln(k): 2.565433826462188 +""", +) + +entry( + index = 116, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_N-Sp-4R!H-2C", + kinetics = ArrheniusBM(A=(1.66121e-13,'m^3/(mol*s)'), n=6.02046, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07097113896060832, var=91.07312205294886, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_N-Sp-4R!H-2C',), comment="""BM rule fitted to 5 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_N-Sp-4R!H-2C + Total Standard Deviation in ln(k): 19.30995511134739"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_N-Sp-4R!H-2C +Total Standard Deviation in ln(k): 19.30995511134739""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_N-Sp-4R!H-2C +Total Standard Deviation in ln(k): 19.30995511134739 +""", +) + +entry( + index = 117, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_Ext-4R!H-R_5R!H-inRing", + kinetics = ArrheniusBM(A=(125500,'m^3/(mol*s)'), n=1.005, w0=(322000,'J/mol'), E0=(32200,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_Ext-4R!H-R_5R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_Ext-4R!H-R_5R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_Ext-4R!H-R_5R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_Ext-4R!H-R_5R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 118, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_Ext-4R!H-R_N-5R!H-inRing", + kinetics = ArrheniusBM(A=(5.39972,'m^3/(mol*s)'), n=2.23813, w0=(322000,'J/mol'), E0=(32200,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.024434195869594555, var=0.8006855966837308, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_Ext-4R!H-R_N-5R!H-inRing',), comment="""BM rule fitted to 6 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_Ext-4R!H-R_N-5R!H-inRing + Total Standard Deviation in ln(k): 1.855250186523459"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_Ext-4R!H-R_N-5R!H-inRing +Total Standard Deviation in ln(k): 1.855250186523459""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_Ext-4R!H-R_N-5R!H-inRing +Total Standard Deviation in ln(k): 1.855250186523459 +""", +) + +entry( + index = 119, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-5R!H-R_Ext-8R!H-R_7R!H->C", + kinetics = ArrheniusBM(A=(0.808391,'m^3/(mol*s)'), n=2.28131, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.7045065519494201, var=0.0, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-5R!H-R_Ext-8R!H-R_7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-5R!H-R_Ext-8R!H-R_7R!H->C + Total Standard Deviation in ln(k): 1.7701169646970354"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-5R!H-R_Ext-8R!H-R_7R!H->C +Total Standard Deviation in ln(k): 1.7701169646970354""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-5R!H-R_Ext-8R!H-R_7R!H->C +Total Standard Deviation in ln(k): 1.7701169646970354 +""", +) + +entry( + index = 120, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-5R!H-R_Ext-8R!H-R_N-7R!H->C", + kinetics = ArrheniusBM(A=(616.5,'m^3/(mol*s)'), n=1.533, w0=(333500,'J/mol'), E0=(33350,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-5R!H-R_Ext-8R!H-R_N-7R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-5R!H-R_Ext-8R!H-R_N-7R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-5R!H-R_Ext-8R!H-R_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-5R!H-R_Ext-8R!H-R_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 121, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-7R!H-R_8R!H-inRing_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(19745.2,'m^3/(mol*s)'), n=1.15894, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(303.03,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-7R!H-R_8R!H-inRing_Ext-4R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-7R!H-R_8R!H-inRing_Ext-4R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-7R!H-R_8R!H-inRing_Ext-4R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-7R!H-R_8R!H-inRing_Ext-4R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 122, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-7R!H-R_N-8R!H-inRing_Sp-7R!H-6R!H", + kinetics = ArrheniusBM(A=(4.24662e+09,'m^3/(mol*s)'), n=-0.320728, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2246835044257587, var=13.460780398476222, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-7R!H-R_N-8R!H-inRing_Sp-7R!H-6R!H',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-7R!H-R_N-8R!H-inRing_Sp-7R!H-6R!H + Total Standard Deviation in ln(k): 7.91969115438013"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-7R!H-R_N-8R!H-inRing_Sp-7R!H-6R!H +Total Standard Deviation in ln(k): 7.91969115438013""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-7R!H-R_N-8R!H-inRing_Sp-7R!H-6R!H +Total Standard Deviation in ln(k): 7.91969115438013 +""", +) + +entry( + index = 123, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-7R!H-R_N-8R!H-inRing_N-Sp-7R!H-6R!H", + kinetics = ArrheniusBM(A=(2.19339e+09,'m^3/(mol*s)'), n=0.00771742, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(303.03,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-7R!H-R_N-8R!H-inRing_N-Sp-7R!H-6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-7R!H-R_N-8R!H-inRing_N-Sp-7R!H-6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-7R!H-R_N-8R!H-inRing_N-Sp-7R!H-6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-7R!H-R_N-8R!H-inRing_N-Sp-7R!H-6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 124, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-5R!H-4R!H_Sp-4R!H-2COS_7R!H-inRing_5R!H-inRing", + kinetics = ArrheniusBM(A=(0.018461,'m^3/(mol*s)'), n=2.65668, w0=(333500,'J/mol'), E0=(30256.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.14054540038800778, var=2.480159440217844, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-5R!H-4R!H_Sp-4R!H-2COS_7R!H-inRing_5R!H-inRing',), comment="""BM rule fitted to 5 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-5R!H-4R!H_Sp-4R!H-2COS_7R!H-inRing_5R!H-inRing + Total Standard Deviation in ln(k): 3.5102905863544676"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-5R!H-4R!H_Sp-4R!H-2COS_7R!H-inRing_5R!H-inRing +Total Standard Deviation in ln(k): 3.5102905863544676""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-5R!H-4R!H_Sp-4R!H-2COS_7R!H-inRing_5R!H-inRing +Total Standard Deviation in ln(k): 3.5102905863544676 +""", +) + +entry( + index = 125, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-5R!H-4R!H_Sp-4R!H-2COS_N-7R!H-inRing_Ext-2COS-R", + kinetics = ArrheniusBM(A=(147150,'m^3/(mol*s)'), n=0.503804, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(303.03,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-5R!H-4R!H_Sp-4R!H-2COS_N-7R!H-inRing_Ext-2COS-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-5R!H-4R!H_Sp-4R!H-2COS_N-7R!H-inRing_Ext-2COS-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-5R!H-4R!H_Sp-4R!H-2COS_N-7R!H-inRing_Ext-2COS-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-5R!H-4R!H_Sp-4R!H-2COS_N-7R!H-inRing_Ext-2COS-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 126, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS", + kinetics = ArrheniusBM(A=(0.0368601,'m^3/(mol*s)'), n=2.60841, w0=(333500,'J/mol'), E0=(31780.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.16955194301197057, var=1.0709402636510006, Tref=1000.0, N=108, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS',), comment="""BM rule fitted to 108 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS + Total Standard Deviation in ln(k): 2.5006349349298365"""), + rank = 11, + shortDesc = """BM rule fitted to 108 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS +Total Standard Deviation in ln(k): 2.5006349349298365""", + longDesc = +""" +BM rule fitted to 108 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS +Total Standard Deviation in ln(k): 2.5006349349298365 +""", +) + +entry( + index = 127, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS", + kinetics = ArrheniusBM(A=(0.000139685,'m^3/(mol*s)'), n=3.34119, w0=(333500,'J/mol'), E0=(39662.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.19359044626758395, var=0.10096041247647278, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS',), comment="""BM rule fitted to 12 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS + Total Standard Deviation in ln(k): 1.123398058256834"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS +Total Standard Deviation in ln(k): 1.123398058256834""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS +Total Standard Deviation in ln(k): 1.123398058256834 +""", +) + +entry( + index = 128, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_5R!H-inRing_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(678.6,'m^3/(mol*s)'), n=1.533, w0=(322000,'J/mol'), E0=(32200,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_5R!H-inRing_Ext-4R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_5R!H-inRing_Ext-4R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_5R!H-inRing_Ext-4R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_5R!H-inRing_Ext-4R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 129, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(7.4877,'m^3/(mol*s)'), n=2.11793, w0=(322000,'J/mol'), E0=(32200,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.035461243470195226, var=0.31717429801371105, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-5R!H-R',), comment="""BM rule fitted to 8 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.2181299045274276"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.2181299045274276""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.2181299045274276 +""", +) + +entry( + index = 130, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(8.20497e-06,'m^3/(mol*s)'), n=3.9954, w0=(322000,'J/mol'), E0=(29923.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=2.4355846047710554, var=2.0463842524251468, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-4R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-4R!H-R + Total Standard Deviation in ln(k): 8.987370676543087"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-4R!H-R +Total Standard Deviation in ln(k): 8.987370676543087""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-4R!H-R +Total Standard Deviation in ln(k): 8.987370676543087 +""", +) + +entry( + index = 131, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_Sp-5R!H-4COS", + kinetics = ArrheniusBM(A=(0.315431,'m^3/(mol*s)'), n=2.33074, w0=(328389,'J/mol'), E0=(32838.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.23421613402302685, var=0.11405809778185907, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_Sp-5R!H-4COS',), comment="""BM rule fitted to 9 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_Sp-5R!H-4COS + Total Standard Deviation in ln(k): 1.2655316717760874"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_Sp-5R!H-4COS +Total Standard Deviation in ln(k): 1.2655316717760874""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_Sp-5R!H-4COS +Total Standard Deviation in ln(k): 1.2655316717760874 +""", +) + +entry( + index = 132, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS", + kinetics = ArrheniusBM(A=(3.97983,'m^3/(mol*s)'), n=2.04851, w0=(328325,'J/mol'), E0=(61481.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.011649870164145024, var=0.7292321037839891, Tref=1000.0, N=20, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS',), comment="""BM rule fitted to 20 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS + Total Standard Deviation in ln(k): 1.741216312111947"""), + rank = 11, + shortDesc = """BM rule fitted to 20 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS +Total Standard Deviation in ln(k): 1.741216312111947""", + longDesc = +""" +BM rule fitted to 20 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS +Total Standard Deviation in ln(k): 1.741216312111947 +""", +) + +entry( + index = 133, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_4COS->C_2CS->C", + kinetics = ArrheniusBM(A=(3.7095e+06,'m^3/(mol*s)'), n=0.270914, w0=(332350,'J/mol'), E0=(69102.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07258281075971447, var=0.6718637293253009, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_4COS->C_2CS->C',), comment="""BM rule fitted to 10 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_4COS->C_2CS->C + Total Standard Deviation in ln(k): 1.825595966990137"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_4COS->C_2CS->C +Total Standard Deviation in ln(k): 1.825595966990137""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_4COS->C_2CS->C +Total Standard Deviation in ln(k): 1.825595966990137 +""", +) + +entry( + index = 134, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_4COS->C_N-2CS->C", + kinetics = ArrheniusBM(A=(9224.17,'m^3/(mol*s)'), n=1.0937, w0=(356000,'J/mol'), E0=(25137.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.16444162417396305, var=0.4300208318416713, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_4COS->C_N-2CS->C',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_4COS->C_N-2CS->C + Total Standard Deviation in ln(k): 1.7277944558248615"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_4COS->C_N-2CS->C +Total Standard Deviation in ln(k): 1.7277944558248615""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_4COS->C_N-2CS->C +Total Standard Deviation in ln(k): 1.7277944558248615 +""", +) + +entry( + index = 135, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_N-4COS->C_Sp-4OS-1COOSS", + kinetics = ArrheniusBM(A=(279,'m^3/(mol*s)'), n=1.63, w0=(356000,'J/mol'), E0=(56859.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_N-4COS->C_Sp-4OS-1COOSS',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_N-4COS->C_Sp-4OS-1COOSS + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_N-4COS->C_Sp-4OS-1COOSS +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_N-4COS->C_Sp-4OS-1COOSS +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 136, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_N-4COS->C_N-Sp-4OS-1COOSS", + kinetics = ArrheniusBM(A=(1.07634e-07,'m^3/(mol*s)'), n=4.3761, w0=(344750,'J/mol'), E0=(36409,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.837901916360684, var=1.7376067851870975, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_N-4COS->C_N-Sp-4OS-1COOSS',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_N-4COS->C_N-Sp-4OS-1COOSS + Total Standard Deviation in ln(k): 7.260451986042988"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_N-4COS->C_N-Sp-4OS-1COOSS +Total Standard Deviation in ln(k): 7.260451986042988""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_N-4COS->C_N-Sp-4OS-1COOSS +Total Standard Deviation in ln(k): 7.260451986042988 +""", +) + +entry( + index = 137, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_1COS->O_2CS->C_Ext-2C-R_Ext-2C-R_Ext-4R!H-R_Sp-6R!H=4R!H", + kinetics = ArrheniusBM(A=(6.39,'m^3/(mol*s)'), n=2.09, w0=(450000,'J/mol'), E0=(90086.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_1COS->O_2CS->C_Ext-2C-R_Ext-2C-R_Ext-4R!H-R_Sp-6R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_1COS->O_2CS->C_Ext-2C-R_Ext-2C-R_Ext-4R!H-R_Sp-6R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_1COS->O_2CS->C_Ext-2C-R_Ext-2C-R_Ext-4R!H-R_Sp-6R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_1COS->O_2CS->C_Ext-2C-R_Ext-2C-R_Ext-4R!H-R_Sp-6R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 138, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_1COS->O_2CS->C_Ext-2C-R_Ext-2C-R_Ext-4R!H-R_N-Sp-6R!H=4R!H", + kinetics = ArrheniusBM(A=(18.3,'m^3/(mol*s)'), n=1.99, w0=(450000,'J/mol'), E0=(45000,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_1COS->O_2CS->C_Ext-2C-R_Ext-2C-R_Ext-4R!H-R_N-Sp-6R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_1COS->O_2CS->C_Ext-2C-R_Ext-2C-R_Ext-4R!H-R_N-Sp-6R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_1COS->O_2CS->C_Ext-2C-R_Ext-2C-R_Ext-4R!H-R_N-Sp-6R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_1COS->O_2CS->C_Ext-2C-R_Ext-2C-R_Ext-4R!H-R_N-Sp-6R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 139, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_4R!H->O", + kinetics = ArrheniusBM(A=(34008,'m^3/(mol*s)'), n=0.741204, w0=(332750,'J/mol'), E0=(34018,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.16785134331867, var=1.4549728663866175, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_4R!H->O',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_4R!H->O + Total Standard Deviation in ln(k): 2.8398937224634655"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_4R!H->O +Total Standard Deviation in ln(k): 2.8398937224634655""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_4R!H->O +Total Standard Deviation in ln(k): 2.8398937224634655 +""", +) + +entry( + index = 140, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O", + kinetics = ArrheniusBM(A=(2.48375,'m^3/(mol*s)'), n=2.2536, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.11325785916785701, var=1.4846079546034128, Tref=1000.0, N=23, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O',), comment="""BM rule fitted to 23 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O + Total Standard Deviation in ln(k): 2.7272267000151165"""), + rank = 11, + shortDesc = """BM rule fitted to 23 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O +Total Standard Deviation in ln(k): 2.7272267000151165""", + longDesc = +""" +BM rule fitted to 23 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O +Total Standard Deviation in ln(k): 2.7272267000151165 +""", +) + +entry( + index = 141, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_N-Sp-4R!H-2C_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(3.36997e-15,'m^3/(mol*s)'), n=6.51675, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.15539035518340527, var=139.76037377210915, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_N-Sp-4R!H-2C_Ext-4R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_N-Sp-4R!H-2C_Ext-4R!H-R + Total Standard Deviation in ln(k): 24.090464597599762"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_N-Sp-4R!H-2C_Ext-4R!H-R +Total Standard Deviation in ln(k): 24.090464597599762""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_N-Sp-4R!H-2C_Ext-4R!H-R +Total Standard Deviation in ln(k): 24.090464597599762 +""", +) + +entry( + index = 142, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_N-Sp-4R!H-2C_4R!H->C", + kinetics = ArrheniusBM(A=(209,'m^3/(mol*s)'), n=1.64, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_N-Sp-4R!H-2C_4R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_N-Sp-4R!H-2C_4R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_N-Sp-4R!H-2C_4R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_N-Sp-4R!H-2C_4R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 143, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_N-Sp-4R!H-2C_N-4R!H->C", + kinetics = ArrheniusBM(A=(230.046,'m^3/(mol*s)'), n=1.61, w0=(333500,'J/mol'), E0=(33350,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_N-Sp-4R!H-2C_N-4R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_N-Sp-4R!H-2C_N-4R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_N-Sp-4R!H-2C_N-4R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_N-Sp-4R!H-2C_N-4R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 144, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_Ext-4R!H-R_N-5R!H-inRing_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(341841,'m^3/(mol*s)'), n=0.835625, w0=(322000,'J/mol'), E0=(32200,'J/mol'), Tmin=(303.03,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_Ext-4R!H-R_N-5R!H-inRing_Ext-5R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_Ext-4R!H-R_N-5R!H-inRing_Ext-5R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_Ext-4R!H-R_N-5R!H-inRing_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_Ext-4R!H-R_N-5R!H-inRing_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 145, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_Ext-4R!H-R_N-5R!H-inRing_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.404819,'m^3/(mol*s)'), n=2.57959, w0=(322000,'J/mol'), E0=(32200,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12162646076569303, var=0.23208199606073665, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_Ext-4R!H-R_N-5R!H-inRing_Sp-5R!H=4R!H',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_Ext-4R!H-R_N-5R!H-inRing_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 1.271373027140209"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_Ext-4R!H-R_N-5R!H-inRing_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.271373027140209""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_Ext-4R!H-R_N-5R!H-inRing_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.271373027140209 +""", +) + +entry( + index = 146, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_Ext-4R!H-R_N-5R!H-inRing_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(30.3355,'m^3/(mol*s)'), n=1.94589, w0=(322000,'J/mol'), E0=(32200,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=2.689172378178703, var=8.168938707498473, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_Ext-4R!H-R_N-5R!H-inRing_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_Ext-4R!H-R_N-5R!H-inRing_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 12.4865190708517"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_Ext-4R!H-R_N-5R!H-inRing_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 12.4865190708517""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_Ext-4R!H-R_N-5R!H-inRing_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 12.4865190708517 +""", +) + +entry( + index = 147, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-5R!H-R_Ext-8R!H-R_7R!H->C_Int-6R!H-5R!H", + kinetics = ArrheniusBM(A=(193,'m^3/(mol*s)'), n=1.6, w0=(333500,'J/mol'), E0=(33350,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-5R!H-R_Ext-8R!H-R_7R!H->C_Int-6R!H-5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-5R!H-R_Ext-8R!H-R_7R!H->C_Int-6R!H-5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-5R!H-R_Ext-8R!H-R_7R!H->C_Int-6R!H-5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-5R!H-R_Ext-8R!H-R_7R!H->C_Int-6R!H-5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 148, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-7R!H-R_N-8R!H-inRing_Sp-7R!H-6R!H_Int-6R!H-5R!H", + kinetics = ArrheniusBM(A=(1650,'m^3/(mol*s)'), n=1.48, w0=(333500,'J/mol'), E0=(33350,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-7R!H-R_N-8R!H-inRing_Sp-7R!H-6R!H_Int-6R!H-5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-7R!H-R_N-8R!H-inRing_Sp-7R!H-6R!H_Int-6R!H-5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-7R!H-R_N-8R!H-inRing_Sp-7R!H-6R!H_Int-6R!H-5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-7R!H-R_N-8R!H-inRing_Sp-7R!H-6R!H_Int-6R!H-5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 149, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-7R!H-R_N-8R!H-inRing_Sp-7R!H-6R!H_5R!H-inRing", + kinetics = ArrheniusBM(A=(0.0377056,'m^3/(mol*s)'), n=2.42841, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(303.03,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-7R!H-R_N-8R!H-inRing_Sp-7R!H-6R!H_5R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-7R!H-R_N-8R!H-inRing_Sp-7R!H-6R!H_5R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-7R!H-R_N-8R!H-inRing_Sp-7R!H-6R!H_5R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-7R!H-R_N-8R!H-inRing_Sp-7R!H-6R!H_5R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 150, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-7R!H-R_N-8R!H-inRing_Sp-7R!H-6R!H_N-5R!H-inRing", + kinetics = ArrheniusBM(A=(182.962,'m^3/(mol*s)'), n=2.24294, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(303.03,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-7R!H-R_N-8R!H-inRing_Sp-7R!H-6R!H_N-5R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-7R!H-R_N-8R!H-inRing_Sp-7R!H-6R!H_N-5R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-7R!H-R_N-8R!H-inRing_Sp-7R!H-6R!H_N-5R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-1R!H-R_Sp-2COS=1R!H_Ext-6R!H-R_Ext-7R!H-R_N-8R!H-inRing_Sp-7R!H-6R!H_N-5R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 151, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-5R!H-4R!H_Sp-4R!H-2COS_7R!H-inRing_5R!H-inRing_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.000591409,'m^3/(mol*s)'), n=3.09031, w0=(333500,'J/mol'), E0=(37704.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=2.0820202098712293, var=10.76215243430369, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-5R!H-4R!H_Sp-4R!H-2COS_7R!H-inRing_5R!H-inRing_Sp-7R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-5R!H-4R!H_Sp-4R!H-2COS_7R!H-inRing_5R!H-inRing_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.807884254737578"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-5R!H-4R!H_Sp-4R!H-2COS_7R!H-inRing_5R!H-inRing_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.807884254737578""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-5R!H-4R!H_Sp-4R!H-2COS_7R!H-inRing_5R!H-inRing_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.807884254737578 +""", +) + +entry( + index = 152, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-5R!H-4R!H_Sp-4R!H-2COS_7R!H-inRing_5R!H-inRing_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.0748384,'m^3/(mol*s)'), n=2.49679, w0=(333500,'J/mol'), E0=(33916.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.04901222904315907, var=0.6078519002750125, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-5R!H-4R!H_Sp-4R!H-2COS_7R!H-inRing_5R!H-inRing_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-5R!H-4R!H_Sp-4R!H-2COS_7R!H-inRing_5R!H-inRing_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 1.6861351501827362"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-5R!H-4R!H_Sp-4R!H-2COS_7R!H-inRing_5R!H-inRing_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 1.6861351501827362""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-5R!H-4R!H_Sp-4R!H-2COS_7R!H-inRing_5R!H-inRing_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 1.6861351501827362 +""", +) + +entry( + index = 153, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R", + kinetics = ArrheniusBM(A=(0.00498009,'m^3/(mol*s)'), n=2.84438, w0=(333500,'J/mol'), E0=(27390.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06229184545841389, var=2.3392772397301003, Tref=1000.0, N=72, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R',), comment="""BM rule fitted to 72 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R + Total Standard Deviation in ln(k): 3.2226935199159947"""), + rank = 11, + shortDesc = """BM rule fitted to 72 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R +Total Standard Deviation in ln(k): 3.2226935199159947""", + longDesc = +""" +BM rule fitted to 72 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R +Total Standard Deviation in ln(k): 3.2226935199159947 +""", +) + +entry( + index = 154, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_4R!H->O", + kinetics = ArrheniusBM(A=(21820,'m^3/(mol*s)'), n=0.859, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_4R!H->O',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_4R!H->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_4R!H->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_4R!H->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 155, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O", + kinetics = ArrheniusBM(A=(0.115261,'m^3/(mol*s)'), n=2.48659, w0=(333500,'J/mol'), E0=(36537.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09655690489946736, var=0.20625611260071175, Tref=1000.0, N=35, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O',), comment="""BM rule fitted to 35 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O + Total Standard Deviation in ln(k): 1.1530643100034565"""), + rank = 11, + shortDesc = """BM rule fitted to 35 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O +Total Standard Deviation in ln(k): 1.1530643100034565""", + longDesc = +""" +BM rule fitted to 35 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O +Total Standard Deviation in ln(k): 1.1530643100034565 +""", +) + +entry( + index = 156, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS_Sp-4R!H-1COS", + kinetics = ArrheniusBM(A=(0.411026,'m^3/(mol*s)'), n=2.32768, w0=(333500,'J/mol'), E0=(53453.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.031171710112513108, var=0.538495009785926, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS_Sp-4R!H-1COS',), comment="""BM rule fitted to 10 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS_Sp-4R!H-1COS + Total Standard Deviation in ln(k): 1.5494399689815732"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS_Sp-4R!H-1COS +Total Standard Deviation in ln(k): 1.5494399689815732""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS_Sp-4R!H-1COS +Total Standard Deviation in ln(k): 1.5494399689815732 +""", +) + +entry( + index = 157, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS_N-Sp-4R!H-1COS", + kinetics = ArrheniusBM(A=(0.000128696,'m^3/(mol*s)'), n=3.35255, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=2.1942361084874964, var=0.3078055238773926, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS_N-Sp-4R!H-1COS',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS_N-Sp-4R!H-1COS + Total Standard Deviation in ln(k): 6.625387560073085"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS_N-Sp-4R!H-1COS +Total Standard Deviation in ln(k): 6.625387560073085""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS_N-Sp-4R!H-1COS +Total Standard Deviation in ln(k): 6.625387560073085 +""", +) + +entry( + index = 158, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-5R!H-R_Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00205738,'m^3/(mol*s)'), n=3.20377, w0=(322000,'J/mol'), E0=(32200,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.14817673845658413, var=0.6820250814589071, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-5R!H-R_Sp-6R!H=5R!H',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-5R!H-R_Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 2.0279100142092132"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-5R!H-R_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 2.0279100142092132""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-5R!H-R_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 2.0279100142092132 +""", +) + +entry( + index = 159, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(10.8869,'m^3/(mol*s)'), n=2.06837, w0=(322000,'J/mol'), E0=(32200,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0006843616610581674, var=0.3221823228629835, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H',), comment="""BM rule fitted to 5 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 1.1396293170783902"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 1.1396293170783902""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 1.1396293170783902 +""", +) + +entry( + index = 160, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-4R!H-R_Sp-6R!H=4R!H", + kinetics = ArrheniusBM(A=(763,'m^3/(mol*s)'), n=1.64, w0=(322000,'J/mol'), E0=(32200,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-4R!H-R_Sp-6R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-4R!H-R_Sp-6R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-4R!H-R_Sp-6R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-4R!H-R_Sp-6R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 161, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-4R!H-R_N-Sp-6R!H=4R!H", + kinetics = ArrheniusBM(A=(2440,'m^3/(mol*s)'), n=1.64, w0=(322000,'J/mol'), E0=(32200,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-4R!H-R_N-Sp-6R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-4R!H-R_N-Sp-6R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-4R!H-R_N-Sp-6R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-4R!H-R_N-Sp-6R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 162, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_Sp-5R!H-4COS_Ext-4COS-R", + kinetics = ArrheniusBM(A=(0.0116377,'m^3/(mol*s)'), n=2.84695, w0=(322000,'J/mol'), E0=(32200,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.4719154746086096, var=0.8250875873512094, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_Sp-5R!H-4COS_Ext-4COS-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_Sp-5R!H-4COS_Ext-4COS-R + Total Standard Deviation in ln(k): 5.519267803277068"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_Sp-5R!H-4COS_Ext-4COS-R +Total Standard Deviation in ln(k): 5.519267803277068""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_Sp-5R!H-4COS_Ext-4COS-R +Total Standard Deviation in ln(k): 5.519267803277068 +""", +) + +entry( + index = 163, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_Sp-5R!H-4COS_5R!H-inRing", + kinetics = ArrheniusBM(A=(0.000978829,'m^3/(mol*s)'), n=3.18615, w0=(327750,'J/mol'), E0=(32775,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.6870331160598475, var=0.9153122706726635, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_Sp-5R!H-4COS_5R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_Sp-5R!H-4COS_5R!H-inRing + Total Standard Deviation in ln(k): 6.156745886678435"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_Sp-5R!H-4COS_5R!H-inRing +Total Standard Deviation in ln(k): 6.156745886678435""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_Sp-5R!H-4COS_5R!H-inRing +Total Standard Deviation in ln(k): 6.156745886678435 +""", +) + +entry( + index = 164, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_Sp-5R!H-4COS_N-5R!H-inRing", + kinetics = ArrheniusBM(A=(123.346,'m^3/(mol*s)'), n=1.4286, w0=(331200,'J/mol'), E0=(33120,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3579012548063804, var=0.09536615593020424, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_Sp-5R!H-4COS_N-5R!H-inRing',), comment="""BM rule fitted to 5 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_Sp-5R!H-4COS_N-5R!H-inRing + Total Standard Deviation in ln(k): 1.518339867175219"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_Sp-5R!H-4COS_N-5R!H-inRing +Total Standard Deviation in ln(k): 1.518339867175219""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_Sp-5R!H-4COS_N-5R!H-inRing +Total Standard Deviation in ln(k): 1.518339867175219 +""", +) + +entry( + index = 165, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS", + kinetics = ArrheniusBM(A=(340.075,'m^3/(mol*s)'), n=1.4904, w0=(328053,'J/mol'), E0=(67284.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.070662885021539, var=0.7131690412986251, Tref=1000.0, N=19, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS',), comment="""BM rule fitted to 19 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS + Total Standard Deviation in ln(k): 1.8705304060347943"""), + rank = 11, + shortDesc = """BM rule fitted to 19 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS +Total Standard Deviation in ln(k): 1.8705304060347943""", + longDesc = +""" +BM rule fitted to 19 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS +Total Standard Deviation in ln(k): 1.8705304060347943 +""", +) + +entry( + index = 166, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_N-Sp-4COS-1CCOOSS", + kinetics = ArrheniusBM(A=(527.8,'m^3/(mol*s)'), n=1.505, w0=(333500,'J/mol'), E0=(33350,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_N-Sp-4COS-1CCOOSS',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_N-Sp-4COS-1CCOOSS + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_N-Sp-4COS-1CCOOSS +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_N-Sp-4COS-1CCOOSS +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 167, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_4COS->C_2CS->C_Sp-2C=1COS", + kinetics = ArrheniusBM(A=(3.2141e+06,'m^3/(mol*s)'), n=0.284732, w0=(333500,'J/mol'), E0=(68839,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06197844482923647, var=0.6498801452713278, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_4COS->C_2CS->C_Sp-2C=1COS',), comment="""BM rule fitted to 9 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_4COS->C_2CS->C_Sp-2C=1COS + Total Standard Deviation in ln(k): 1.7718448065262313"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_4COS->C_2CS->C_Sp-2C=1COS +Total Standard Deviation in ln(k): 1.7718448065262313""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_4COS->C_2CS->C_Sp-2C=1COS +Total Standard Deviation in ln(k): 1.7718448065262313 +""", +) + +entry( + index = 168, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_4COS->C_2CS->C_N-Sp-2C=1COS", + kinetics = ArrheniusBM(A=(692,'m^3/(mol*s)'), n=1.64, w0=(322000,'J/mol'), E0=(32200,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_4COS->C_2CS->C_N-Sp-2C=1COS',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_4COS->C_2CS->C_N-Sp-2C=1COS + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_4COS->C_2CS->C_N-Sp-2C=1COS +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_4COS->C_2CS->C_N-Sp-2C=1COS +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 169, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_N-4COS->C_N-Sp-4OS-1COOSS_2CS->C", + kinetics = ArrheniusBM(A=(1987.31,'m^3/(mol*s)'), n=1.43, w0=(333500,'J/mol'), E0=(33350,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_N-4COS->C_N-Sp-4OS-1COOSS_2CS->C',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_N-4COS->C_N-Sp-4OS-1COOSS_2CS->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_N-4COS->C_N-Sp-4OS-1COOSS_2CS->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_N-4COS->C_N-Sp-4OS-1COOSS_2CS->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 170, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_N-4COS->C_N-Sp-4OS-1COOSS_N-2CS->C", + kinetics = ArrheniusBM(A=(5020,'m^3/(mol*s)'), n=1.34, w0=(356000,'J/mol'), E0=(74964.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_N-4COS->C_N-Sp-4OS-1COOSS_N-2CS->C',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_N-4COS->C_N-Sp-4OS-1COOSS_N-2CS->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_N-4COS->C_N-Sp-4OS-1COOSS_N-2CS->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_N-4COS->C_N-Sp-4OS-1COOSS_N-2CS->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 171, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_4R!H->O_1CS->C", + kinetics = ArrheniusBM(A=(6.67e+06,'m^3/(mol*s)'), n=0.1, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_4R!H->O_1CS->C',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_4R!H->O_1CS->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_4R!H->O_1CS->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_4R!H->O_1CS->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 172, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_4R!H->O_N-1CS->C", + kinetics = ArrheniusBM(A=(554,'m^3/(mol*s)'), n=1.24, w0=(332000,'J/mol'), E0=(22722.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_4R!H->O_N-1CS->C',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_4R!H->O_N-1CS->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_4R!H->O_N-1CS->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_4R!H->O_N-1CS->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 173, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_4C-inRing", + kinetics = ArrheniusBM(A=(25.4197,'m^3/(mol*s)'), n=1.87721, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.9237014446272119, var=2.145848325225141, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_4C-inRing',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_4C-inRing + Total Standard Deviation in ln(k): 5.2575370535276855"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_4C-inRing +Total Standard Deviation in ln(k): 5.2575370535276855""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_4C-inRing +Total Standard Deviation in ln(k): 5.2575370535276855 +""", +) + +entry( + index = 174, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing", + kinetics = ArrheniusBM(A=(2.01764,'m^3/(mol*s)'), n=2.28724, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12168020822756889, var=1.6419722553966298, Tref=1000.0, N=20, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing',), comment="""BM rule fitted to 20 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing + Total Standard Deviation in ln(k): 2.874585974206818"""), + rank = 11, + shortDesc = """BM rule fitted to 20 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing +Total Standard Deviation in ln(k): 2.874585974206818""", + longDesc = +""" +BM rule fitted to 20 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing +Total Standard Deviation in ln(k): 2.874585974206818 +""", +) + +entry( + index = 175, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_N-Sp-4R!H-2C_Ext-4R!H-R_5R!H-inRing", + kinetics = ArrheniusBM(A=(817.5,'m^3/(mol*s)'), n=1.505, w0=(333500,'J/mol'), E0=(33350,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_N-Sp-4R!H-2C_Ext-4R!H-R_5R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_N-Sp-4R!H-2C_Ext-4R!H-R_5R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_N-Sp-4R!H-2C_Ext-4R!H-R_5R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_N-Sp-4R!H-2C_Ext-4R!H-R_5R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 176, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_N-Sp-4R!H-2C_Ext-4R!H-R_N-5R!H-inRing", + kinetics = ArrheniusBM(A=(1.41602e-17,'m^3/(mol*s)'), n=7.2032, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=6.203938235296737, var=57.46366783302156, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_N-Sp-4R!H-2C_Ext-4R!H-R_N-5R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_N-Sp-4R!H-2C_Ext-4R!H-R_N-5R!H-inRing + Total Standard Deviation in ln(k): 30.784637454110293"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_N-Sp-4R!H-2C_Ext-4R!H-R_N-5R!H-inRing +Total Standard Deviation in ln(k): 30.784637454110293""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_N-Sp-4R!H-2C_Ext-4R!H-R_N-5R!H-inRing +Total Standard Deviation in ln(k): 30.784637454110293 +""", +) + +entry( + index = 177, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-5R!H-4R!H_Sp-4R!H-2COS_7R!H-inRing_5R!H-inRing_Sp-7R!H=6R!H_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(5.33233,'m^3/(mol*s)'), n=1.98823, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(303.03,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-5R!H-4R!H_Sp-4R!H-2COS_7R!H-inRing_5R!H-inRing_Sp-7R!H=6R!H_Ext-5R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-5R!H-4R!H_Sp-4R!H-2COS_7R!H-inRing_5R!H-inRing_Sp-7R!H=6R!H_Ext-5R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-5R!H-4R!H_Sp-4R!H-2COS_7R!H-inRing_5R!H-inRing_Sp-7R!H=6R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-5R!H-4R!H_Sp-4R!H-2COS_7R!H-inRing_5R!H-inRing_Sp-7R!H=6R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 178, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-5R!H-4R!H_Sp-4R!H-2COS_7R!H-inRing_5R!H-inRing_N-Sp-7R!H=6R!H_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(590.4,'m^3/(mol*s)'), n=1.534, w0=(333500,'J/mol'), E0=(33350,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-5R!H-4R!H_Sp-4R!H-2COS_7R!H-inRing_5R!H-inRing_N-Sp-7R!H=6R!H_Ext-4R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-5R!H-4R!H_Sp-4R!H-2COS_7R!H-inRing_5R!H-inRing_N-Sp-7R!H=6R!H_Ext-4R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-5R!H-4R!H_Sp-4R!H-2COS_7R!H-inRing_5R!H-inRing_N-Sp-7R!H=6R!H_Ext-4R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-5R!H-4R!H_Sp-4R!H-2COS_7R!H-inRing_5R!H-inRing_N-Sp-7R!H=6R!H_Ext-4R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 179, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-5R!H-4R!H_Sp-4R!H-2COS_7R!H-inRing_5R!H-inRing_N-Sp-7R!H=6R!H_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(251.4,'m^3/(mol*s)'), n=1.545, w0=(333500,'J/mol'), E0=(33350,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-5R!H-4R!H_Sp-4R!H-2COS_7R!H-inRing_5R!H-inRing_N-Sp-7R!H=6R!H_Ext-5R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-5R!H-4R!H_Sp-4R!H-2COS_7R!H-inRing_5R!H-inRing_N-Sp-7R!H=6R!H_Ext-5R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-5R!H-4R!H_Sp-4R!H-2COS_7R!H-inRing_5R!H-inRing_N-Sp-7R!H=6R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-5R!H-4R!H_Sp-4R!H-2COS_7R!H-inRing_5R!H-inRing_N-Sp-7R!H=6R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 180, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.296914,'m^3/(mol*s)'), n=2.3581, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06804456930374135, var=0.5927450247234051, Tref=1000.0, N=50, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R',), comment="""BM rule fitted to 50 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.714410507841181"""), + rank = 11, + shortDesc = """BM rule fitted to 50 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.714410507841181""", + longDesc = +""" +BM rule fitted to 50 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.714410507841181 +""", +) + +entry( + index = 181, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS", + kinetics = ArrheniusBM(A=(1.68918e-05,'m^3/(mol*s)'), n=3.51619, w0=(333500,'J/mol'), E0=(-8490.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2615285884993371, var=4.38357368307688, Tref=1000.0, N=21, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS',), comment="""BM rule fitted to 21 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS + Total Standard Deviation in ln(k): 4.854417961979554"""), + rank = 11, + shortDesc = """BM rule fitted to 21 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS +Total Standard Deviation in ln(k): 4.854417961979554""", + longDesc = +""" +BM rule fitted to 21 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS +Total Standard Deviation in ln(k): 4.854417961979554 +""", +) + +entry( + index = 182, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_N-Sp-4R!H-1COS", + kinetics = ArrheniusBM(A=(306,'m^3/(mol*s)'), n=1.64, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_N-Sp-4R!H-1COS',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_N-Sp-4R!H-1COS + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_N-Sp-4R!H-1COS +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_N-Sp-4R!H-1COS +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 183, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.0385004,'m^3/(mol*s)'), n=2.62544, w0=(333500,'J/mol'), E0=(31279,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10903195240105888, var=0.17548958174636484, Tref=1000.0, N=22, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R',), comment="""BM rule fitted to 22 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.1137627563592716"""), + rank = 11, + shortDesc = """BM rule fitted to 22 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.1137627563592716""", + longDesc = +""" +BM rule fitted to 22 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.1137627563592716 +""", +) + +entry( + index = 184, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS", + kinetics = ArrheniusBM(A=(2040.32,'m^3/(mol*s)'), n=1.25147, w0=(333500,'J/mol'), E0=(55301.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.001326428882605416, var=0.20989566490127287, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS',), comment="""BM rule fitted to 12 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS + Total Standard Deviation in ln(k): 0.9217895146942695"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS +Total Standard Deviation in ln(k): 0.9217895146942695""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS +Total Standard Deviation in ln(k): 0.9217895146942695 +""", +) + +entry( + index = 185, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_N-Sp-4C-1COS", + kinetics = ArrheniusBM(A=(546,'m^3/(mol*s)'), n=1.64, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_N-Sp-4C-1COS',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_N-Sp-4C-1COS + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_N-Sp-4C-1COS +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_N-Sp-4C-1COS +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 186, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS_Sp-4R!H-1COS_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(0.0907389,'m^3/(mol*s)'), n=2.52968, w0=(333500,'J/mol'), E0=(50817.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.025953958287212957, var=0.48071672251039854, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS_Sp-4R!H-1COS_Ext-4R!H-R',), comment="""BM rule fitted to 7 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS_Sp-4R!H-1COS_Ext-4R!H-R + Total Standard Deviation in ln(k): 1.4551687166323528"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS_Sp-4R!H-1COS_Ext-4R!H-R +Total Standard Deviation in ln(k): 1.4551687166323528""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS_Sp-4R!H-1COS_Ext-4R!H-R +Total Standard Deviation in ln(k): 1.4551687166323528 +""", +) + +entry( + index = 187, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(0.00103799,'m^3/(mol*s)'), n=3.27271, w0=(322000,'J/mol'), E0=(32200,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.6882972244058312, var=2.0345207423466247, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-4R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-4R!H-R + Total Standard Deviation in ln(k): 7.101439324145022"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-4R!H-R +Total Standard Deviation in ln(k): 7.101439324145022""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-4R!H-R +Total Standard Deviation in ln(k): 7.101439324145022 +""", +) + +entry( + index = 188, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(11.6836,'m^3/(mol*s)'), n=2.05416, w0=(322000,'J/mol'), E0=(32200,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.021666123485157947, var=0.2242425481768941, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R + Total Standard Deviation in ln(k): 1.0037648600273401"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R +Total Standard Deviation in ln(k): 1.0037648600273401""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R +Total Standard Deviation in ln(k): 1.0037648600273401 +""", +) + +entry( + index = 189, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_Sp-5R!H-4COS_Ext-4COS-R_Sp-6R!H-4COS", + kinetics = ArrheniusBM(A=(867.188,'m^3/(mol*s)'), n=1.415, w0=(322000,'J/mol'), E0=(32200,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_Sp-5R!H-4COS_Ext-4COS-R_Sp-6R!H-4COS',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_Sp-5R!H-4COS_Ext-4COS-R_Sp-6R!H-4COS + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_Sp-5R!H-4COS_Ext-4COS-R_Sp-6R!H-4COS +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_Sp-5R!H-4COS_Ext-4COS-R_Sp-6R!H-4COS +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 190, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_Sp-5R!H-4COS_Ext-4COS-R_N-Sp-6R!H-4COS", + kinetics = ArrheniusBM(A=(1348.96,'m^3/(mol*s)'), n=1.432, w0=(322000,'J/mol'), E0=(32200,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_Sp-5R!H-4COS_Ext-4COS-R_N-Sp-6R!H-4COS',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_Sp-5R!H-4COS_Ext-4COS-R_N-Sp-6R!H-4COS + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_Sp-5R!H-4COS_Ext-4COS-R_N-Sp-6R!H-4COS +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_Sp-5R!H-4COS_Ext-4COS-R_N-Sp-6R!H-4COS +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 191, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_Sp-5R!H-4COS_5R!H-inRing_Sp-2CS=1CCOSS", + kinetics = ArrheniusBM(A=(10.2991,'m^3/(mol*s)'), n=2.00632, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(303.03,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_Sp-5R!H-4COS_5R!H-inRing_Sp-2CS=1CCOSS',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_Sp-5R!H-4COS_5R!H-inRing_Sp-2CS=1CCOSS + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_Sp-5R!H-4COS_5R!H-inRing_Sp-2CS=1CCOSS +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_Sp-5R!H-4COS_5R!H-inRing_Sp-2CS=1CCOSS +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 192, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_Sp-5R!H-4COS_5R!H-inRing_N-Sp-2CS=1CCOSS", + kinetics = ArrheniusBM(A=(22760,'m^3/(mol*s)'), n=1.103, w0=(322000,'J/mol'), E0=(32200,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_Sp-5R!H-4COS_5R!H-inRing_N-Sp-2CS=1CCOSS',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_Sp-5R!H-4COS_5R!H-inRing_N-Sp-2CS=1CCOSS + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_Sp-5R!H-4COS_5R!H-inRing_N-Sp-2CS=1CCOSS +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_Sp-5R!H-4COS_5R!H-inRing_N-Sp-2CS=1CCOSS +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 193, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_Sp-5R!H-4COS_N-5R!H-inRing_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(89.1535,'m^3/(mol*s)'), n=1.46837, w0=(329667,'J/mol'), E0=(32966.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4448011479903594, var=0.3024770204880834, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_Sp-5R!H-4COS_N-5R!H-inRing_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_Sp-5R!H-4COS_N-5R!H-inRing_Ext-5R!H-R + Total Standard Deviation in ln(k): 2.220153236019042"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_Sp-5R!H-4COS_N-5R!H-inRing_Ext-5R!H-R +Total Standard Deviation in ln(k): 2.220153236019042""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_Sp-5R!H-4COS_N-5R!H-inRing_Ext-5R!H-R +Total Standard Deviation in ln(k): 2.220153236019042 +""", +) + +entry( + index = 194, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_Sp-5R!H-4COS_N-5R!H-inRing_5R!H->C", + kinetics = ArrheniusBM(A=(6.04645e+26,'m^3/(mol*s)'), n=-5.83953, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(303.03,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_Sp-5R!H-4COS_N-5R!H-inRing_5R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_Sp-5R!H-4COS_N-5R!H-inRing_5R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_Sp-5R!H-4COS_N-5R!H-inRing_5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_Sp-5R!H-4COS_N-5R!H-inRing_5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 195, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_Sp-5R!H-4COS_N-5R!H-inRing_N-5R!H->C", + kinetics = ArrheniusBM(A=(173,'m^3/(mol*s)'), n=1.583, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_Sp-5R!H-4COS_N-5R!H-inRing_N-5R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_Sp-5R!H-4COS_N-5R!H-inRing_N-5R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_Sp-5R!H-4COS_N-5R!H-inRing_N-5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_Sp-5R!H-4COS_N-5R!H-inRing_N-5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 196, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_Sp-2CS=1CCOSS", + kinetics = ArrheniusBM(A=(10879.8,'m^3/(mol*s)'), n=1.05732, w0=(333500,'J/mol'), E0=(70025.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07045938237892632, var=0.41212848503399785, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_Sp-2CS=1CCOSS',), comment="""BM rule fitted to 10 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_Sp-2CS=1CCOSS + Total Standard Deviation in ln(k): 1.4640180923279622"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_Sp-2CS=1CCOSS +Total Standard Deviation in ln(k): 1.4640180923279622""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_Sp-2CS=1CCOSS +Total Standard Deviation in ln(k): 1.4640180923279622 +""", +) + +entry( + index = 197, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_N-Sp-2CS=1CCOSS", + kinetics = ArrheniusBM(A=(2.74222e-05,'m^3/(mol*s)'), n=3.53201, w0=(322000,'J/mol'), E0=(32200,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12751780792519887, var=1.077255673473039, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_N-Sp-2CS=1CCOSS',), comment="""BM rule fitted to 9 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_N-Sp-2CS=1CCOSS + Total Standard Deviation in ln(k): 2.4011296430577005"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_N-Sp-2CS=1CCOSS +Total Standard Deviation in ln(k): 2.4011296430577005""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_N-Sp-2CS=1CCOSS +Total Standard Deviation in ln(k): 2.4011296430577005 +""", +) + +entry( + index = 198, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_4COS->C_2CS->C_Sp-2C=1COS_Sp-4C-1COS", + kinetics = ArrheniusBM(A=(1.45195e+07,'m^3/(mol*s)'), n=0.0932641, w0=(333500,'J/mol'), E0=(70565.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08866144482664601, var=0.7058107518260748, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_4COS->C_2CS->C_Sp-2C=1COS_Sp-4C-1COS',), comment="""BM rule fitted to 8 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_4COS->C_2CS->C_Sp-2C=1COS_Sp-4C-1COS + Total Standard Deviation in ln(k): 1.9069963845828208"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_4COS->C_2CS->C_Sp-2C=1COS_Sp-4C-1COS +Total Standard Deviation in ln(k): 1.9069963845828208""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_4COS->C_2CS->C_Sp-2C=1COS_Sp-4C-1COS +Total Standard Deviation in ln(k): 1.9069963845828208 +""", +) + +entry( + index = 199, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_4COS->C_2CS->C_Sp-2C=1COS_N-Sp-4C-1COS", + kinetics = ArrheniusBM(A=(442,'m^3/(mol*s)'), n=1.64, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_4COS->C_2CS->C_Sp-2C=1COS_N-Sp-4C-1COS',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_4COS->C_2CS->C_Sp-2C=1COS_N-Sp-4C-1COS + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_4COS->C_2CS->C_Sp-2C=1COS_N-Sp-4C-1COS +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_4COS->C_2CS->C_Sp-2C=1COS_N-Sp-4C-1COS +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 200, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_4C-inRing_Ext-4C-R_Sp-5R!H-4C", + kinetics = ArrheniusBM(A=(336,'m^3/(mol*s)'), n=1.56, w0=(333500,'J/mol'), E0=(33350,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_4C-inRing_Ext-4C-R_Sp-5R!H-4C',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_4C-inRing_Ext-4C-R_Sp-5R!H-4C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_4C-inRing_Ext-4C-R_Sp-5R!H-4C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_4C-inRing_Ext-4C-R_Sp-5R!H-4C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 201, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_4C-inRing_Ext-4C-R_N-Sp-5R!H-4C", + kinetics = ArrheniusBM(A=(0.638233,'m^3/(mol*s)'), n=2.27265, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.6541846553816045, var=2.9166433980164195, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_4C-inRing_Ext-4C-R_N-Sp-5R!H-4C',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_4C-inRing_Ext-4C-R_N-Sp-5R!H-4C + Total Standard Deviation in ln(k): 5.06740332111144"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_4C-inRing_Ext-4C-R_N-Sp-5R!H-4C +Total Standard Deviation in ln(k): 5.06740332111144""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_4C-inRing_Ext-4C-R_N-Sp-5R!H-4C +Total Standard Deviation in ln(k): 5.06740332111144 +""", +) + +entry( + index = 202, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-2C-R", + kinetics = ArrheniusBM(A=(0.0243041,'m^3/(mol*s)'), n=2.74557, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10952057456561148, var=2.653418999321676, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-2C-R',), comment="""BM rule fitted to 9 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-2C-R + Total Standard Deviation in ln(k): 3.5407541582553597"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-2C-R +Total Standard Deviation in ln(k): 3.5407541582553597""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-2C-R +Total Standard Deviation in ln(k): 3.5407541582553597 +""", +) + +entry( + index = 203, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-4C-R", + kinetics = ArrheniusBM(A=(5.4905,'m^3/(mol*s)'), n=2.17215, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07385721898451458, var=1.679580673619821, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-4C-R',), comment="""BM rule fitted to 8 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-4C-R + Total Standard Deviation in ln(k): 2.7836802395864844"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-4C-R +Total Standard Deviation in ln(k): 2.7836802395864844""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-4C-R +Total Standard Deviation in ln(k): 2.7836802395864844 +""", +) + +entry( + index = 204, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H", + kinetics = ArrheniusBM(A=(0.167133,'m^3/(mol*s)'), n=2.40777, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07275118451177709, var=0.5836446212794867, Tref=1000.0, N=30, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H',), comment="""BM rule fitted to 30 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H + Total Standard Deviation in ln(k): 1.7143421096792404"""), + rank = 11, + shortDesc = """BM rule fitted to 30 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H +Total Standard Deviation in ln(k): 1.7143421096792404""", + longDesc = +""" +BM rule fitted to 30 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H +Total Standard Deviation in ln(k): 1.7143421096792404 +""", +) + +entry( + index = 205, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H", + kinetics = ArrheniusBM(A=(0.703044,'m^3/(mol*s)'), n=2.2836, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06098465681915918, var=0.4818894048588651, Tref=1000.0, N=20, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H',), comment="""BM rule fitted to 20 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H + Total Standard Deviation in ln(k): 1.5448798776949513"""), + rank = 11, + shortDesc = """BM rule fitted to 20 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H +Total Standard Deviation in ln(k): 1.5448798776949513""", + longDesc = +""" +BM rule fitted to 20 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H +Total Standard Deviation in ln(k): 1.5448798776949513 +""", +) + +entry( + index = 206, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R", + kinetics = ArrheniusBM(A=(0.00787794,'m^3/(mol*s)'), n=2.85313, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08574760253125861, var=0.17453500487783574, Tref=1000.0, N=15, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R',), comment="""BM rule fitted to 15 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R + Total Standard Deviation in ln(k): 1.052972165339857"""), + rank = 11, + shortDesc = """BM rule fitted to 15 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R +Total Standard Deviation in ln(k): 1.052972165339857""", + longDesc = +""" +BM rule fitted to 15 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R +Total Standard Deviation in ln(k): 1.052972165339857 +""", +) + +entry( + index = 207, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(0.226752,'m^3/(mol*s)'), n=2.37971, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07009200302066124, var=2.385618585099399, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Sp-6R!H=5R!H',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 3.272513664405741"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 3.272513664405741""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 3.272513664405741 +""", +) + +entry( + index = 208, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_N-Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(0.0743528,'m^3/(mol*s)'), n=2.51435, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08285005823067508, var=2.3814811768874504, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_N-Sp-6R!H=5R!H',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_N-Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 3.301882848954184"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 3.301882848954184""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 3.301882848954184 +""", +) + +entry( + index = 209, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C", + kinetics = ArrheniusBM(A=(6285.18,'m^3/(mol*s)'), n=1.11092, w0=(333500,'J/mol'), E0=(57211.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.16692219720861312, var=0.5393810184956543, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C',), comment="""BM rule fitted to 11 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C + Total Standard Deviation in ln(k): 1.8917313448008084"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C +Total Standard Deviation in ln(k): 1.8917313448008084""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C +Total Standard Deviation in ln(k): 1.8917313448008084 +""", +) + +entry( + index = 210, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_N-5R!H->C", + kinetics = ArrheniusBM(A=(372,'m^3/(mol*s)'), n=1.477, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_N-5R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_N-5R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_N-5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_N-5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 211, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS_Sp-4R!H-1COS_Ext-4R!H-R_Sp-6R!H=4R!H", + kinetics = ArrheniusBM(A=(68.6315,'m^3/(mol*s)'), n=1.70868, w0=(333500,'J/mol'), E0=(59012.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.02766753332479975, var=0.23315813634592092, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS_Sp-4R!H-1COS_Ext-4R!H-R_Sp-6R!H=4R!H',), comment="""BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS_Sp-4R!H-1COS_Ext-4R!H-R_Sp-6R!H=4R!H + Total Standard Deviation in ln(k): 1.0375318389722306"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS_Sp-4R!H-1COS_Ext-4R!H-R_Sp-6R!H=4R!H +Total Standard Deviation in ln(k): 1.0375318389722306""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS_Sp-4R!H-1COS_Ext-4R!H-R_Sp-6R!H=4R!H +Total Standard Deviation in ln(k): 1.0375318389722306 +""", +) + +entry( + index = 212, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS_Sp-4R!H-1COS_Ext-4R!H-R_N-Sp-6R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0317475,'m^3/(mol*s)'), n=2.65535, w0=(333500,'J/mol'), E0=(52349,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.13986728618291486, var=1.4376035126419242, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS_Sp-4R!H-1COS_Ext-4R!H-R_N-Sp-6R!H=4R!H',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS_Sp-4R!H-1COS_Ext-4R!H-R_N-Sp-6R!H=4R!H + Total Standard Deviation in ln(k): 2.7551048005388408"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS_Sp-4R!H-1COS_Ext-4R!H-R_N-Sp-6R!H=4R!H +Total Standard Deviation in ln(k): 2.7551048005388408""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS_Sp-4R!H-1COS_Ext-4R!H-R_N-Sp-6R!H=4R!H +Total Standard Deviation in ln(k): 2.7551048005388408 +""", +) + +entry( + index = 213, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-4R!H-R_Sp-7R!H=4R!H", + kinetics = ArrheniusBM(A=(290,'m^3/(mol*s)'), n=1.64, w0=(322000,'J/mol'), E0=(32200,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-4R!H-R_Sp-7R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-4R!H-R_Sp-7R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-4R!H-R_Sp-7R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-4R!H-R_Sp-7R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 214, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H", + kinetics = ArrheniusBM(A=(927,'m^3/(mol*s)'), n=1.64, w0=(322000,'J/mol'), E0=(32200,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 215, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(14.4643,'m^3/(mol*s)'), n=2.01778, w0=(322000,'J/mol'), E0=(32200,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.5736696208730991, var=0.03911758386070032, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 1.8378807824968173"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.8378807824968173""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.8378807824968173 +""", +) + +entry( + index = 216, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R_Sp-7R!H=4R!H", + kinetics = ArrheniusBM(A=(2160,'m^3/(mol*s)'), n=1.64, w0=(322000,'J/mol'), E0=(32200,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R_Sp-7R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R_Sp-7R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R_Sp-7R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R_Sp-7R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 217, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H", + kinetics = ArrheniusBM(A=(6900,'m^3/(mol*s)'), n=1.64, w0=(322000,'J/mol'), E0=(32200,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 218, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_Sp-5R!H-4COS_N-5R!H-inRing_Ext-5R!H-R_Sp-2CS=1CCOSS", + kinetics = ArrheniusBM(A=(1.13334e+06,'m^3/(mol*s)'), n=0.0472533, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=5.509622493263503, var=0.06429770087649092, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_Sp-5R!H-4COS_N-5R!H-inRing_Ext-5R!H-R_Sp-2CS=1CCOSS',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_Sp-5R!H-4COS_N-5R!H-inRing_Ext-5R!H-R_Sp-2CS=1CCOSS + Total Standard Deviation in ln(k): 14.3516130956884"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_Sp-5R!H-4COS_N-5R!H-inRing_Ext-5R!H-R_Sp-2CS=1CCOSS +Total Standard Deviation in ln(k): 14.3516130956884""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_Sp-5R!H-4COS_N-5R!H-inRing_Ext-5R!H-R_Sp-2CS=1CCOSS +Total Standard Deviation in ln(k): 14.3516130956884 +""", +) + +entry( + index = 219, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_Sp-5R!H-4COS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-2CS=1CCOSS", + kinetics = ArrheniusBM(A=(1108.07,'m^3/(mol*s)'), n=1.405, w0=(322000,'J/mol'), E0=(32200,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_Sp-5R!H-4COS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-2CS=1CCOSS',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_Sp-5R!H-4COS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-2CS=1CCOSS + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_Sp-5R!H-4COS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-2CS=1CCOSS +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_Sp-5R!H-4COS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-2CS=1CCOSS +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 220, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_Sp-2CS=1CCOSS_Sp-5R!H=4COS", + kinetics = ArrheniusBM(A=(0.000216213,'m^3/(mol*s)'), n=3.29826, w0=(333500,'J/mol'), E0=(22213.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.023335593468760397, var=0.7212015168078015, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_Sp-2CS=1CCOSS_Sp-5R!H=4COS',), comment="""BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_Sp-2CS=1CCOSS_Sp-5R!H=4COS + Total Standard Deviation in ln(k): 1.7611250275670949"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_Sp-2CS=1CCOSS_Sp-5R!H=4COS +Total Standard Deviation in ln(k): 1.7611250275670949""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_Sp-2CS=1CCOSS_Sp-5R!H=4COS +Total Standard Deviation in ln(k): 1.7611250275670949 +""", +) + +entry( + index = 221, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_Sp-2CS=1CCOSS_N-Sp-5R!H=4COS", + kinetics = ArrheniusBM(A=(14152.3,'m^3/(mol*s)'), n=1.0243, w0=(333500,'J/mol'), E0=(70484.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.026367915157866198, var=0.27669820323682964, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_Sp-2CS=1CCOSS_N-Sp-5R!H=4COS',), comment="""BM rule fitted to 6 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_Sp-2CS=1CCOSS_N-Sp-5R!H=4COS + Total Standard Deviation in ln(k): 1.12078400438486"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_Sp-2CS=1CCOSS_N-Sp-5R!H=4COS +Total Standard Deviation in ln(k): 1.12078400438486""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_Sp-2CS=1CCOSS_N-Sp-5R!H=4COS +Total Standard Deviation in ln(k): 1.12078400438486 +""", +) + +entry( + index = 222, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_N-Sp-2CS=1CCOSS_Sp-5R!H=4COS", + kinetics = ArrheniusBM(A=(2.97358e-05,'m^3/(mol*s)'), n=3.50919, w0=(322000,'J/mol'), E0=(32200,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.11793928013777351, var=1.1513395161458033, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_N-Sp-2CS=1CCOSS_Sp-5R!H=4COS',), comment="""BM rule fitted to 7 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_N-Sp-2CS=1CCOSS_Sp-5R!H=4COS + Total Standard Deviation in ln(k): 2.4474204115124576"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_N-Sp-2CS=1CCOSS_Sp-5R!H=4COS +Total Standard Deviation in ln(k): 2.4474204115124576""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_N-Sp-2CS=1CCOSS_Sp-5R!H=4COS +Total Standard Deviation in ln(k): 2.4474204115124576 +""", +) + +entry( + index = 223, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_N-Sp-2CS=1CCOSS_N-Sp-5R!H=4COS", + kinetics = ArrheniusBM(A=(1.29198e-05,'m^3/(mol*s)'), n=3.74401, w0=(322000,'J/mol'), E0=(32200,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=3.199759931518786, var=1.8324516056813285, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_N-Sp-2CS=1CCOSS_N-Sp-5R!H=4COS',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_N-Sp-2CS=1CCOSS_N-Sp-5R!H=4COS + Total Standard Deviation in ln(k): 10.753369125263141"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_N-Sp-2CS=1CCOSS_N-Sp-5R!H=4COS +Total Standard Deviation in ln(k): 10.753369125263141""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_N-Sp-2CS=1CCOSS_N-Sp-5R!H=4COS +Total Standard Deviation in ln(k): 10.753369125263141 +""", +) + +entry( + index = 224, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_4C-inRing_Ext-4C-R_N-Sp-5R!H-4C_Ext-2C-R", + kinetics = ArrheniusBM(A=(177,'m^3/(mol*s)'), n=1.64, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_4C-inRing_Ext-4C-R_N-Sp-5R!H-4C_Ext-2C-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_4C-inRing_Ext-4C-R_N-Sp-5R!H-4C_Ext-2C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_4C-inRing_Ext-4C-R_N-Sp-5R!H-4C_Ext-2C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_4C-inRing_Ext-4C-R_N-Sp-5R!H-4C_Ext-2C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 225, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-4C-R_N-Sp-5R!H-4C", + kinetics = ArrheniusBM(A=(4.75554,'m^3/(mol*s)'), n=2.16621, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.15588391181834804, var=0.49215116955065863, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-4C-R_N-Sp-5R!H-4C',), comment="""BM rule fitted to 5 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-4C-R_N-Sp-5R!H-4C + Total Standard Deviation in ln(k): 1.7980596759421592"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-4C-R_N-Sp-5R!H-4C +Total Standard Deviation in ln(k): 1.7980596759421592""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-4C-R_N-Sp-5R!H-4C +Total Standard Deviation in ln(k): 1.7980596759421592 +""", +) + +entry( + index = 226, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.26279,'m^3/(mol*s)'), n=2.3235, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06476589258114722, var=0.6302555765313695, Tref=1000.0, N=20, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R',), comment="""BM rule fitted to 20 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R + Total Standard Deviation in ln(k): 1.754260236899672"""), + rank = 11, + shortDesc = """BM rule fitted to 20 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 1.754260236899672""", + longDesc = +""" +BM rule fitted to 20 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 1.754260236899672 +""", +) + +entry( + index = 227, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(0.0395666,'m^3/(mol*s)'), n=2.6571, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09637664182058163, var=0.42206151011215526, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4R!H-R',), comment="""BM rule fitted to 7 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4R!H-R + Total Standard Deviation in ln(k): 1.5445537941827445"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4R!H-R +Total Standard Deviation in ln(k): 1.5445537941827445""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4R!H-R +Total Standard Deviation in ln(k): 1.5445537941827445 +""", +) + +entry( + index = 228, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(2.61993,'m^3/(mol*s)'), n=2.11741, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0452370510981393, var=0.5368573957561008, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R',), comment="""BM rule fitted to 10 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R + Total Standard Deviation in ln(k): 1.5825414126220148"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 1.5825414126220148""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 1.5825414126220148 +""", +) + +entry( + index = 229, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(0.110369,'m^3/(mol*s)'), n=2.53057, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08438703162053199, var=0.4226600442802335, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4R!H-R',), comment="""BM rule fitted to 7 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4R!H-R + Total Standard Deviation in ln(k): 1.5153522994871598"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4R!H-R +Total Standard Deviation in ln(k): 1.5153522994871598""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4R!H-R +Total Standard Deviation in ln(k): 1.5153522994871598 +""", +) + +entry( + index = 230, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_Sp-7R!H=4C", + kinetics = ArrheniusBM(A=(0.00762961,'m^3/(mol*s)'), n=2.85976, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.003448054393723021, var=0.17047835707240877, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_Sp-7R!H=4C',), comment="""BM rule fitted to 9 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_Sp-7R!H=4C + Total Standard Deviation in ln(k): 0.8363990169644541"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_Sp-7R!H=4C +Total Standard Deviation in ln(k): 0.8363990169644541""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_Sp-7R!H=4C +Total Standard Deviation in ln(k): 0.8363990169644541 +""", +) + +entry( + index = 231, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_N-Sp-7R!H=4C", + kinetics = ArrheniusBM(A=(0.00971997,'m^3/(mol*s)'), n=2.80959, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.11082545178362449, var=0.5782938805280113, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_N-Sp-7R!H=4C',), comment="""BM rule fitted to 6 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_N-Sp-7R!H=4C + Total Standard Deviation in ln(k): 1.8029694553978903"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_N-Sp-7R!H=4C +Total Standard Deviation in ln(k): 1.8029694553978903""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_N-Sp-7R!H=4C +Total Standard Deviation in ln(k): 1.8029694553978903 +""", +) + +entry( + index = 232, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R_Ext-7R!H-R_Sp-7R!H-4R!H", + kinetics = ArrheniusBM(A=(1282.72,'m^3/(mol*s)'), n=1.462, w0=(322000,'J/mol'), E0=(32200,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R_Ext-7R!H-R_Sp-7R!H-4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R_Ext-7R!H-R_Sp-7R!H-4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R_Ext-7R!H-R_Sp-7R!H-4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R_Ext-7R!H-R_Sp-7R!H-4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 233, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R_Ext-7R!H-R_N-Sp-7R!H-4R!H", + kinetics = ArrheniusBM(A=(1216.47,'m^3/(mol*s)'), n=1.464, w0=(322000,'J/mol'), E0=(32200,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R_Ext-7R!H-R_N-Sp-7R!H-4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R_Ext-7R!H-R_N-Sp-7R!H-4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R_Ext-7R!H-R_N-Sp-7R!H-4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_N-Sp-2COS=1CCOOSS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R_Ext-7R!H-R_N-Sp-7R!H-4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 234, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_Sp-5R!H-4COS_N-5R!H-inRing_Ext-5R!H-R_Sp-2CS=1CCOSS_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(6.03691e+23,'m^3/(mol*s)'), n=-5.02097, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(303.03,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_Sp-5R!H-4COS_N-5R!H-inRing_Ext-5R!H-R_Sp-2CS=1CCOSS_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_Sp-5R!H-4COS_N-5R!H-inRing_Ext-5R!H-R_Sp-2CS=1CCOSS_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_Sp-5R!H-4COS_N-5R!H-inRing_Ext-5R!H-R_Sp-2CS=1CCOSS_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_Sp-5R!H-4COS_N-5R!H-inRing_Ext-5R!H-R_Sp-2CS=1CCOSS_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 235, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_N-Sp-2CS=1CCOSS_Sp-5R!H=4COS_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.00285632,'m^3/(mol*s)'), n=2.93305, w0=(322000,'J/mol'), E0=(32200,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.16940913151338508, var=1.7215923251467595, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_N-Sp-2CS=1CCOSS_Sp-5R!H=4COS_Ext-5R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_N-Sp-2CS=1CCOSS_Sp-5R!H=4COS_Ext-5R!H-R + Total Standard Deviation in ln(k): 3.0560532192285192"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_N-Sp-2CS=1CCOSS_Sp-5R!H=4COS_Ext-5R!H-R +Total Standard Deviation in ln(k): 3.0560532192285192""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_N-Sp-2CS=1CCOSS_Sp-5R!H=4COS_Ext-5R!H-R +Total Standard Deviation in ln(k): 3.0560532192285192 +""", +) + +entry( + index = 236, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-2C-R_Ext-4C-R_Sp-6R!H#4C", + kinetics = ArrheniusBM(A=(3831.04,'m^3/(mol*s)'), n=1.24743, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.037197951683112115, var=0.45405538284355773, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-2C-R_Ext-4C-R_Sp-6R!H#4C',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-2C-R_Ext-4C-R_Sp-6R!H#4C + Total Standard Deviation in ln(k): 1.4443254923645428"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-2C-R_Ext-4C-R_Sp-6R!H#4C +Total Standard Deviation in ln(k): 1.4443254923645428""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-2C-R_Ext-4C-R_Sp-6R!H#4C +Total Standard Deviation in ln(k): 1.4443254923645428 +""", +) + +entry( + index = 237, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-4C-R_N-Sp-5R!H-4C_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(240,'m^3/(mol*s)'), n=1.58, w0=(333500,'J/mol'), E0=(33350,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-4C-R_N-Sp-5R!H-4C_Ext-5R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-4C-R_N-Sp-5R!H-4C_Ext-5R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-4C-R_N-Sp-5R!H-4C_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-4C-R_N-Sp-5R!H-4C_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 238, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-4C-R_N-Sp-5R!H-4C_Sp-5R!H=4C", + kinetics = ArrheniusBM(A=(231,'m^3/(mol*s)'), n=1.64, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-4C-R_N-Sp-5R!H-4C_Sp-5R!H=4C',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-4C-R_N-Sp-5R!H-4C_Sp-5R!H=4C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-4C-R_N-Sp-5R!H-4C_Sp-5R!H=4C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-4C-R_N-Sp-5R!H-4C_Sp-5R!H=4C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 239, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-4C-R_N-Sp-5R!H-4C_N-Sp-5R!H=4C", + kinetics = ArrheniusBM(A=(6.99214,'m^3/(mol*s)'), n=2.13607, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07593089805901003, var=0.06480036801215533, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-4C-R_N-Sp-5R!H-4C_N-Sp-5R!H=4C',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-4C-R_N-Sp-5R!H-4C_N-Sp-5R!H=4C + Total Standard Deviation in ln(k): 0.7011048363858368"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-4C-R_N-Sp-5R!H-4C_N-Sp-5R!H=4C +Total Standard Deviation in ln(k): 0.7011048363858368""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-4C-R_N-Sp-5R!H-4C_N-Sp-5R!H=4C +Total Standard Deviation in ln(k): 0.7011048363858368 +""", +) + +entry( + index = 240, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H", + kinetics = ArrheniusBM(A=(0.511661,'m^3/(mol*s)'), n=2.17288, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.05049386997805858, var=0.5399897111526466, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H',), comment="""BM rule fitted to 10 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H + Total Standard Deviation in ln(k): 1.6000283882043507"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H +Total Standard Deviation in ln(k): 1.6000283882043507""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H +Total Standard Deviation in ln(k): 1.6000283882043507 +""", +) + +entry( + index = 241, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H", + kinetics = ArrheniusBM(A=(0.134969,'m^3/(mol*s)'), n=2.47412, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0790379139347995, var=0.536890404871162, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H',), comment="""BM rule fitted to 10 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H + Total Standard Deviation in ln(k): 1.6675133606322585"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H +Total Standard Deviation in ln(k): 1.6675133606322585""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H +Total Standard Deviation in ln(k): 1.6675133606322585 +""", +) + +entry( + index = 242, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4R!H-R_Sp-8R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0727899,'m^3/(mol*s)'), n=2.58654, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08969020653629868, var=0.44849221784322263, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4R!H-R_Sp-8R!H=4R!H',), comment="""BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4R!H-R_Sp-8R!H=4R!H + Total Standard Deviation in ln(k): 1.5679145699328714"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4R!H-R_Sp-8R!H=4R!H +Total Standard Deviation in ln(k): 1.5679145699328714""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4R!H-R_Sp-8R!H=4R!H +Total Standard Deviation in ln(k): 1.5679145699328714 +""", +) + +entry( + index = 243, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4R!H-R_N-Sp-8R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0175525,'m^3/(mol*s)'), n=2.75119, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10529186753536876, var=1.1423917901929985, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4R!H-R_N-Sp-8R!H=4R!H',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4R!H-R_N-Sp-8R!H=4R!H + Total Standard Deviation in ln(k): 2.407268004384829"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4R!H-R_N-Sp-8R!H=4R!H +Total Standard Deviation in ln(k): 2.407268004384829""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4R!H-R_N-Sp-8R!H=4R!H +Total Standard Deviation in ln(k): 2.407268004384829 +""", +) + +entry( + index = 244, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(1.53206,'m^3/(mol*s)'), n=2.19826, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.05289844618957616, var=0.41795761360219663, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4R!H-R',), comment="""BM rule fitted to 7 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4R!H-R + Total Standard Deviation in ln(k): 1.4289647078188559"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 1.4289647078188559""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 1.4289647078188559 +""", +) + +entry( + index = 245, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4R!H-R_Sp-8R!H=4R!H", + kinetics = ArrheniusBM(A=(0.20324,'m^3/(mol*s)'), n=2.46001, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07770062598657793, var=0.45067403872134426, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4R!H-R_Sp-8R!H=4R!H',), comment="""BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4R!H-R_Sp-8R!H=4R!H + Total Standard Deviation in ln(k): 1.5410516760896906"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4R!H-R_Sp-8R!H=4R!H +Total Standard Deviation in ln(k): 1.5410516760896906""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4R!H-R_Sp-8R!H=4R!H +Total Standard Deviation in ln(k): 1.5410516760896906 +""", +) + +entry( + index = 246, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4R!H-R_N-Sp-8R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0488985,'m^3/(mol*s)'), n=2.62466, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09330222912345923, var=1.138839247366139, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4R!H-R_N-Sp-8R!H=4R!H',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4R!H-R_N-Sp-8R!H=4R!H + Total Standard Deviation in ln(k): 2.373809045124007"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4R!H-R_N-Sp-8R!H=4R!H +Total Standard Deviation in ln(k): 2.373809045124007""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4R!H-R_N-Sp-8R!H=4R!H +Total Standard Deviation in ln(k): 2.373809045124007 +""", +) + +entry( + index = 247, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_Sp-7R!H=4C_Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00673788,'m^3/(mol*s)'), n=2.87636, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.10696806833333082, var=0.24813103460917782, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_Sp-7R!H=4C_Sp-6R!H=5R!H',), comment="""BM rule fitted to 5 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_Sp-7R!H=4C_Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 1.2673777201056835"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_Sp-7R!H=4C_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 1.2673777201056835""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_Sp-7R!H=4C_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 1.2673777201056835 +""", +) + +entry( + index = 248, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_Sp-7R!H=4C_N-Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(0.0228918,'m^3/(mol*s)'), n=2.71307, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10167946797012468, var=0.4518476893683408, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_Sp-7R!H=4C_N-Sp-6R!H=5R!H',), comment="""BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_Sp-7R!H=4C_N-Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 1.6030512886877482"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_Sp-7R!H=4C_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 1.6030512886877482""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_Sp-7R!H=4C_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 1.6030512886877482 +""", +) + +entry( + index = 249, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_N-Sp-7R!H=4C_Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(0.0168671,'m^3/(mol*s)'), n=2.74308, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1045232473951973, var=1.1367442856290704, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_N-Sp-7R!H=4C_Sp-6R!H=5R!H',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_N-Sp-7R!H=4C_Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 2.4000338937255687"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_N-Sp-7R!H=4C_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 2.4000338937255687""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_N-Sp-7R!H=4C_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 2.4000338937255687 +""", +) + +entry( + index = 250, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_N-Sp-7R!H=4C_N-Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(0.0056013,'m^3/(mol*s)'), n=2.8761, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.11712765198030806, var=1.124260777660802, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_N-Sp-7R!H=4C_N-Sp-6R!H=5R!H',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_N-Sp-7R!H=4C_N-Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 2.4199345240792534"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_N-Sp-7R!H=4C_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 2.4199345240792534""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_N-Sp-7R!H=4C_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 2.4199345240792534 +""", +) + +entry( + index = 251, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C_Ext-4C-R_Sp-6R!H=4C", + kinetics = ArrheniusBM(A=(174,'m^3/(mol*s)'), n=1.64, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C_Ext-4C-R_Sp-6R!H=4C',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C_Ext-4C-R_Sp-6R!H=4C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C_Ext-4C-R_Sp-6R!H=4C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C_Ext-4C-R_Sp-6R!H=4C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 252, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_N-Sp-2CS=1CCOSS_Sp-5R!H=4COS_Ext-5R!H-R_6R!H-inRing", + kinetics = ArrheniusBM(A=(0.000842002,'m^3/(mol*s)'), n=3.01457, w0=(322000,'J/mol'), E0=(32200,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=2.2280216897863596, var=2.555475333078245, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_N-Sp-2CS=1CCOSS_Sp-5R!H=4COS_Ext-5R!H-R_6R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_N-Sp-2CS=1CCOSS_Sp-5R!H=4COS_Ext-5R!H-R_6R!H-inRing + Total Standard Deviation in ln(k): 8.802784704885948"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_N-Sp-2CS=1CCOSS_Sp-5R!H=4COS_Ext-5R!H-R_6R!H-inRing +Total Standard Deviation in ln(k): 8.802784704885948""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_N-Sp-2CS=1CCOSS_Sp-5R!H=4COS_Ext-5R!H-R_6R!H-inRing +Total Standard Deviation in ln(k): 8.802784704885948 +""", +) + +entry( + index = 253, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_N-Sp-2CS=1CCOSS_Sp-5R!H=4COS_Ext-5R!H-R_N-6R!H-inRing", + kinetics = ArrheniusBM(A=(0.00968949,'m^3/(mol*s)'), n=2.85152, w0=(322000,'J/mol'), E0=(32200,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.4693993797802183, var=0.20879553438844123, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_N-Sp-2CS=1CCOSS_Sp-5R!H=4COS_Ext-5R!H-R_N-6R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_N-Sp-2CS=1CCOSS_Sp-5R!H=4COS_Ext-5R!H-R_N-6R!H-inRing + Total Standard Deviation in ln(k): 4.608004893946742"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_N-Sp-2CS=1CCOSS_Sp-5R!H=4COS_Ext-5R!H-R_N-6R!H-inRing +Total Standard Deviation in ln(k): 4.608004893946742""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_N-Sp-2CS=1CCOSS_Sp-5R!H=4COS_Ext-5R!H-R_N-6R!H-inRing +Total Standard Deviation in ln(k): 4.608004893946742 +""", +) + +entry( + index = 254, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-2C-R_Ext-4C-R_Sp-6R!H#4C_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(6028.29,'m^3/(mol*s)'), n=1.16308, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4931545863645942, var=1.7421887309016737, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-2C-R_Ext-4C-R_Sp-6R!H#4C_Ext-5R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-2C-R_Ext-4C-R_Sp-6R!H#4C_Ext-5R!H-R + Total Standard Deviation in ln(k): 3.885171741307401"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-2C-R_Ext-4C-R_Sp-6R!H#4C_Ext-5R!H-R +Total Standard Deviation in ln(k): 3.885171741307401""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-2C-R_Ext-4C-R_Sp-6R!H#4C_Ext-5R!H-R +Total Standard Deviation in ln(k): 3.885171741307401 +""", +) + +entry( + index = 255, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-2C-R_Ext-4C-R_N-Sp-6R!H#4C_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(248,'m^3/(mol*s)'), n=1.64, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-2C-R_Ext-4C-R_N-Sp-6R!H#4C_Ext-5R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-2C-R_Ext-4C-R_N-Sp-6R!H#4C_Ext-5R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-2C-R_Ext-4C-R_N-Sp-6R!H#4C_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-2C-R_Ext-4C-R_N-Sp-6R!H#4C_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 256, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(0.300688,'m^3/(mol*s)'), n=2.25318, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.058102525305436935, var=0.42202579745928476, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4R!H-R',), comment="""BM rule fitted to 7 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4R!H-R + Total Standard Deviation in ln(k): 1.4483325698975669"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4R!H-R +Total Standard Deviation in ln(k): 1.4483325698975669""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4R!H-R +Total Standard Deviation in ln(k): 1.4483325698975669 +""", +) + +entry( + index = 257, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(0.0789936,'m^3/(mol*s)'), n=2.5549, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08669268081323535, var=0.4186805347167759, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4R!H-R',), comment="""BM rule fitted to 7 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4R!H-R + Total Standard Deviation in ln(k): 1.5149952218714584"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4R!H-R +Total Standard Deviation in ln(k): 1.5149952218714584""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4R!H-R +Total Standard Deviation in ln(k): 1.5149952218714584 +""", +) + +entry( + index = 258, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4R!H-R_Sp-9R!H=4R!H", + kinetics = ArrheniusBM(A=(2.81436,'m^3/(mol*s)'), n=2.12787, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.046228441825354114, var=0.44942681884251695, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4R!H-R_Sp-9R!H=4R!H',), comment="""BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4R!H-R_Sp-9R!H=4R!H + Total Standard Deviation in ln(k): 1.4601122929991999"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4R!H-R_Sp-9R!H=4R!H +Total Standard Deviation in ln(k): 1.4601122929991999""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4R!H-R_Sp-9R!H=4R!H +Total Standard Deviation in ln(k): 1.4601122929991999 +""", +) + +entry( + index = 259, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4R!H-R_N-Sp-9R!H=4R!H", + kinetics = ArrheniusBM(A=(0.680978,'m^3/(mol*s)'), n=2.29211, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.061791789802919016, var=1.1204152800692362, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4R!H-R_N-Sp-9R!H=4R!H',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4R!H-R_N-Sp-9R!H=4R!H + Total Standard Deviation in ln(k): 2.277261232371115"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4R!H-R_N-Sp-9R!H=4R!H +Total Standard Deviation in ln(k): 2.277261232371115""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4R!H-R_N-Sp-9R!H=4R!H +Total Standard Deviation in ln(k): 2.277261232371115 +""", +) + +entry( + index = 260, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_N-Sp-2CS=1CCOSS_Sp-5R!H=4COS_Ext-5R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-7R!H-6R!H", + kinetics = ArrheniusBM(A=(918.377,'m^3/(mol*s)'), n=1.43, w0=(322000,'J/mol'), E0=(32200,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_N-Sp-2CS=1CCOSS_Sp-5R!H=4COS_Ext-5R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-7R!H-6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_N-Sp-2CS=1CCOSS_Sp-5R!H=4COS_Ext-5R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-7R!H-6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_N-Sp-2CS=1CCOSS_Sp-5R!H=4COS_Ext-5R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-7R!H-6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_N-Sp-2CS=1CCOSS_Sp-5R!H=4COS_Ext-5R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-7R!H-6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 261, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_N-Sp-2CS=1CCOSS_Sp-5R!H=4COS_Ext-5R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-7R!H-6R!H", + kinetics = ArrheniusBM(A=(849.122,'m^3/(mol*s)'), n=1.431, w0=(322000,'J/mol'), E0=(32200,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_N-Sp-2CS=1CCOSS_Sp-5R!H=4COS_Ext-5R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-7R!H-6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_N-Sp-2CS=1CCOSS_Sp-5R!H=4COS_Ext-5R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-7R!H-6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_N-Sp-2CS=1CCOSS_Sp-5R!H=4COS_Ext-5R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-7R!H-6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_N-Sp-2CS=1CCOSS_Sp-5R!H=4COS_Ext-5R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-7R!H-6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 262, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-2C-R_Ext-4C-R_Sp-6R!H#4C_Ext-5R!H-R_Sp-7R!H=5R!H", + kinetics = ArrheniusBM(A=(75.7,'m^3/(mol*s)'), n=1.64, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-2C-R_Ext-4C-R_Sp-6R!H#4C_Ext-5R!H-R_Sp-7R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-2C-R_Ext-4C-R_Sp-6R!H#4C_Ext-5R!H-R_Sp-7R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-2C-R_Ext-4C-R_Sp-6R!H#4C_Ext-5R!H-R_Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-2C-R_Ext-4C-R_Sp-6R!H#4C_Ext-5R!H-R_Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 263, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-2C-R_Ext-4C-R_Sp-6R!H#4C_Ext-5R!H-R_N-Sp-7R!H=5R!H", + kinetics = ArrheniusBM(A=(225,'m^3/(mol*s)'), n=1.64, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-2C-R_Ext-4C-R_Sp-6R!H#4C_Ext-5R!H-R_N-Sp-7R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-2C-R_Ext-4C-R_Sp-6R!H#4C_Ext-5R!H-R_N-Sp-7R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-2C-R_Ext-4C-R_Sp-6R!H#4C_Ext-5R!H-R_N-Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-2C-R_Ext-4C-R_Sp-6R!H#4C_Ext-5R!H-R_N-Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 264, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4R!H-R_Sp-9R!H=4R!H", + kinetics = ArrheniusBM(A=(0.55294,'m^3/(mol*s)'), n=2.18262, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.05141614988897132, var=0.4521032392378283, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4R!H-R_Sp-9R!H=4R!H',), comment="""BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4R!H-R_Sp-9R!H=4R!H + Total Standard Deviation in ln(k): 1.4771425625360508"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4R!H-R_Sp-9R!H=4R!H +Total Standard Deviation in ln(k): 1.4771425625360508""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4R!H-R_Sp-9R!H=4R!H +Total Standard Deviation in ln(k): 1.4771425625360508 +""", +) + +entry( + index = 265, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4R!H-R_N-Sp-9R!H=4R!H", + kinetics = ArrheniusBM(A=(0.133464,'m^3/(mol*s)'), n=2.34726, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06701764237961116, var=1.1363484871525564, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4R!H-R_N-Sp-9R!H=4R!H',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4R!H-R_N-Sp-9R!H=4R!H + Total Standard Deviation in ln(k): 2.3054265642351557"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4R!H-R_N-Sp-9R!H=4R!H +Total Standard Deviation in ln(k): 2.3054265642351557""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4R!H-R_N-Sp-9R!H=4R!H +Total Standard Deviation in ln(k): 2.3054265642351557 +""", +) + +entry( + index = 266, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4R!H-R_Sp-9R!H=4R!H", + kinetics = ArrheniusBM(A=(0.145404,'m^3/(mol*s)'), n=2.48434, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08000627651265134, var=0.44610801090220387, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4R!H-R_Sp-9R!H=4R!H',), comment="""BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4R!H-R_Sp-9R!H=4R!H + Total Standard Deviation in ln(k): 1.5400097681807048"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4R!H-R_Sp-9R!H=4R!H +Total Standard Deviation in ln(k): 1.5400097681807048""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4R!H-R_Sp-9R!H=4R!H +Total Standard Deviation in ln(k): 1.5400097681807048 +""", +) + +entry( + index = 267, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4R!H-R_N-Sp-9R!H=4R!H", + kinetics = ArrheniusBM(A=(0.035017,'m^3/(mol*s)'), n=2.64899, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09560787801236656, var=1.128590355833954, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4R!H-R_N-Sp-9R!H=4R!H',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4R!H-R_N-Sp-9R!H=4R!H + Total Standard Deviation in ln(k): 2.3699537818521312"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4R!H-R_N-Sp-9R!H=4R!H +Total Standard Deviation in ln(k): 2.3699537818521312""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4R!H-R_N-Sp-9R!H=4R!H +Total Standard Deviation in ln(k): 2.3699537818521312 +""", +) + +entry( + index = 268, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(1.50412e-05,'m^3/(mol*s)'), n=3.66638, w0=(291500,'J/mol'), E0=(20618.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.21275613881212319, var=4.822029681821977, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R',), comment="""BM rule fitted to 11 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R + Total Standard Deviation in ln(k): 4.936785053750699"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 4.936785053750699""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 4.936785053750699 +""", +) + +entry( + index = 269, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_Sp-4R!H-2COS", + kinetics = ArrheniusBM(A=(4742.69,'m^3/(mol*s)'), n=1.2919, w0=(291500,'J/mol'), E0=(60051.3,'J/mol'), Tmin=(303.03,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_Sp-4R!H-2COS',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_Sp-4R!H-2COS + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_Sp-4R!H-2COS +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_Sp-4R!H-2COS +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 270, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-4R!H-2COS", + kinetics = ArrheniusBM(A=(0.0541345,'m^3/(mol*s)'), n=2.66648, w0=(291500,'J/mol'), E0=(44221.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.02413318675045351, var=1.583018346623806, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-4R!H-2COS',), comment="""BM rule fitted to 11 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-4R!H-2COS + Total Standard Deviation in ln(k): 2.582954869907913"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-4R!H-2COS +Total Standard Deviation in ln(k): 2.582954869907913""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-4R!H-2COS +Total Standard Deviation in ln(k): 2.582954869907913 +""", +) + +entry( + index = 271, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_Sp-5R!H-4R!H", + kinetics = ArrheniusBM(A=(117105,'m^3/(mol*s)'), n=0.922017, w0=(330625,'J/mol'), E0=(36263.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.9786677987920016, var=34.810076732550776, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_Sp-5R!H-4R!H',), comment="""BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_Sp-5R!H-4R!H + Total Standard Deviation in ln(k): 14.286914311499219"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_Sp-5R!H-4R!H +Total Standard Deviation in ln(k): 14.286914311499219""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_Sp-5R!H-4R!H +Total Standard Deviation in ln(k): 14.286914311499219 +""", +) + +entry( + index = 272, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H", + kinetics = ArrheniusBM(A=(1.9554e+06,'m^3/(mol*s)'), n=0.463659, w0=(330519,'J/mol'), E0=(77978.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0995188008560769, var=4.250812047040172, Tref=1000.0, N=27, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H',), comment="""BM rule fitted to 27 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H + Total Standard Deviation in ln(k): 4.3833092904598505"""), + rank = 11, + shortDesc = """BM rule fitted to 27 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H +Total Standard Deviation in ln(k): 4.3833092904598505""", + longDesc = +""" +BM rule fitted to 27 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H +Total Standard Deviation in ln(k): 4.3833092904598505 +""", +) + +entry( + index = 273, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(791461,'m^3/(mol*s)'), n=0.681714, w0=(327750,'J/mol'), E0=(32775,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2664369469229242, var=0.0039021547601258985, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 0.7946698112787194"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 0.7946698112787194""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 0.7946698112787194 +""", +) + +entry( + index = 274, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(136.154,'m^3/(mol*s)'), n=1.55258, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04008935960332135, var=7.285857596313617, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 5.5119736686956715"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 5.5119736686956715""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 5.5119736686956715 +""", +) + +entry( + index = 275, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_Ext-1COS-R", + kinetics = ArrheniusBM(A=(8.74515e-07,'m^3/(mol*s)'), n=3.78196, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.20296388643109647, var=0.2160503692071626, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_Ext-1COS-R',), comment="""BM rule fitted to 7 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_Ext-1COS-R + Total Standard Deviation in ln(k): 1.4417848093757002"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_Ext-1COS-R +Total Standard Deviation in ln(k): 1.4417848093757002""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_Ext-1COS-R +Total Standard Deviation in ln(k): 1.4417848093757002 +""", +) + +entry( + index = 276, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_Sp-4R!H-1COS", + kinetics = ArrheniusBM(A=(1049.42,'m^3/(mol*s)'), n=1.44298, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.14564219571260534, var=9.526890878262597, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_Sp-4R!H-1COS',), comment="""BM rule fitted to 5 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_Sp-4R!H-1COS + Total Standard Deviation in ln(k): 6.553682685619349"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_Sp-4R!H-1COS +Total Standard Deviation in ln(k): 6.553682685619349""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_Sp-4R!H-1COS +Total Standard Deviation in ln(k): 6.553682685619349 +""", +) + +entry( + index = 277, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-Sp-4R!H-1COS", + kinetics = ArrheniusBM(A=(0.00210652,'m^3/(mol*s)'), n=3.15777, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.6201134600008276, var=1.5886898621798413, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-Sp-4R!H-1COS',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-Sp-4R!H-1COS + Total Standard Deviation in ln(k): 6.597469900776012"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-Sp-4R!H-1COS +Total Standard Deviation in ln(k): 6.597469900776012""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-Sp-4R!H-1COS +Total Standard Deviation in ln(k): 6.597469900776012 +""", +) + +entry( + index = 278, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-5R!H-4R!H_Sp-4R!H-2COS_7R!H-inRing_Ext-2COS-R", + kinetics = ArrheniusBM(A=(1491.51,'m^3/(mol*s)'), n=1.41481, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(303.03,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-5R!H-4R!H_Sp-4R!H-2COS_7R!H-inRing_Ext-2COS-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-5R!H-4R!H_Sp-4R!H-2COS_7R!H-inRing_Ext-2COS-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-5R!H-4R!H_Sp-4R!H-2COS_7R!H-inRing_Ext-2COS-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-5R!H-4R!H_Sp-4R!H-2COS_7R!H-inRing_Ext-2COS-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 279, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_2COS->O_Ext-4R!H-R_Sp-5R!H=4R!H_Ext-1COS-R", + kinetics = ArrheniusBM(A=(39.7,'m^3/(mol*s)'), n=1.88, w0=(426000,'J/mol'), E0=(54378.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_2COS->O_Ext-4R!H-R_Sp-5R!H=4R!H_Ext-1COS-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_2COS->O_Ext-4R!H-R_Sp-5R!H=4R!H_Ext-1COS-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_2COS->O_Ext-4R!H-R_Sp-5R!H=4R!H_Ext-1COS-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_2COS->O_Ext-4R!H-R_Sp-5R!H=4R!H_Ext-1COS-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 280, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_2COS->O_Ext-4R!H-R_N-Sp-5R!H=4R!H_Ext-1COS-R", + kinetics = ArrheniusBM(A=(15.9,'m^3/(mol*s)'), n=1.84, w0=(426000,'J/mol'), E0=(63449.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_2COS->O_Ext-4R!H-R_N-Sp-5R!H=4R!H_Ext-1COS-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_2COS->O_Ext-4R!H-R_N-Sp-5R!H=4R!H_Ext-1COS-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_2COS->O_Ext-4R!H-R_N-Sp-5R!H=4R!H_Ext-1COS-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_2COS->O_Ext-4R!H-R_N-Sp-5R!H=4R!H_Ext-1COS-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 281, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_4COS->C_N-2CS->C_Ext-1COS-R", + kinetics = ArrheniusBM(A=(172603,'m^3/(mol*s)'), n=0.653119, w0=(356000,'J/mol'), E0=(-3774.47,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.21019513122795727, var=2.292183112769914, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_4COS->C_N-2CS->C_Ext-1COS-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_4COS->C_N-2CS->C_Ext-1COS-R + Total Standard Deviation in ln(k): 3.5632888453911353"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_4COS->C_N-2CS->C_Ext-1COS-R +Total Standard Deviation in ln(k): 3.5632888453911353""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_4COS->C_N-2CS->C_Ext-1COS-R +Total Standard Deviation in ln(k): 3.5632888453911353 +""", +) + +entry( + index = 282, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS_Sp-4R!H-1COS_Ext-1COS-R", + kinetics = ArrheniusBM(A=(2.85169e-05,'m^3/(mol*s)'), n=3.45764, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.8795240395301118, var=0.5451938335004934, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS_Sp-4R!H-1COS_Ext-1COS-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS_Sp-4R!H-1COS_Ext-1COS-R + Total Standard Deviation in ln(k): 6.20266330434396"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS_Sp-4R!H-1COS_Ext-1COS-R +Total Standard Deviation in ln(k): 6.20266330434396""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS_Sp-4R!H-1COS_Ext-1COS-R +Total Standard Deviation in ln(k): 6.20266330434396 +""", +) + +entry( + index = 283, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R", + kinetics = ArrheniusBM(A=(0.000183305,'m^3/(mol*s)'), n=3.28175, w0=(333500,'J/mol'), E0=(15414.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.15556623724770505, var=0.49352748118682926, Tref=1000.0, N=14, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R',), comment="""BM rule fitted to 14 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R + Total Standard Deviation in ln(k): 1.7992266282595386"""), + rank = 11, + shortDesc = """BM rule fitted to 14 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R +Total Standard Deviation in ln(k): 1.7992266282595386""", + longDesc = +""" +BM rule fitted to 14 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R +Total Standard Deviation in ln(k): 1.7992266282595386 +""", +) + +entry( + index = 284, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_6R!H-inRing", + kinetics = ArrheniusBM(A=(0.0122151,'m^3/(mol*s)'), n=2.77714, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1077510834029046, var=0.051505987428278256, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_6R!H-inRing',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_6R!H-inRing + Total Standard Deviation in ln(k): 0.7257045995726356"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_6R!H-inRing +Total Standard Deviation in ln(k): 0.7257045995726356""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_6R!H-inRing +Total Standard Deviation in ln(k): 0.7257045995726356 +""", +) + +entry( + index = 285, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_N-6R!H-inRing", + kinetics = ArrheniusBM(A=(1.03091e-06,'m^3/(mol*s)'), n=3.80562, w0=(333500,'J/mol'), E0=(-5299.58,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=2.515959439792795, var=24.722168936661145, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_N-6R!H-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_N-6R!H-inRing + Total Standard Deviation in ln(k): 16.289328137693683"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_N-6R!H-inRing +Total Standard Deviation in ln(k): 16.289328137693683""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_N-6R!H-inRing +Total Standard Deviation in ln(k): 16.289328137693683 +""", +) + +entry( + index = 286, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_4COS->C_2CS->C_Sp-2C=1COS_Sp-4C-1COS_Ext-1COS-R", + kinetics = ArrheniusBM(A=(59.1478,'m^3/(mol*s)'), n=1.73121, w0=(333500,'J/mol'), E0=(61031.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1487669657268371, var=0.5744507220563254, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_4COS->C_2CS->C_Sp-2C=1COS_Sp-4C-1COS_Ext-1COS-R',), comment="""BM rule fitted to 5 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_4COS->C_2CS->C_Sp-2C=1COS_Sp-4C-1COS_Ext-1COS-R + Total Standard Deviation in ln(k): 1.8932257303180495"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_4COS->C_2CS->C_Sp-2C=1COS_Sp-4C-1COS_Ext-1COS-R +Total Standard Deviation in ln(k): 1.8932257303180495""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_4COS->C_2CS->C_Sp-2C=1COS_Sp-4C-1COS_Ext-1COS-R +Total Standard Deviation in ln(k): 1.8932257303180495 +""", +) + +entry( + index = 287, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-2C-R_Ext-4C-R", + kinetics = ArrheniusBM(A=(0.00889617,'m^3/(mol*s)'), n=2.82728, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.007566747717170853, var=3.2992242429860363, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-2C-R_Ext-4C-R',), comment="""BM rule fitted to 7 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-2C-R_Ext-4C-R + Total Standard Deviation in ln(k): 3.6603659727291085"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-2C-R_Ext-4C-R +Total Standard Deviation in ln(k): 3.6603659727291085""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-2C-R_Ext-4C-R +Total Standard Deviation in ln(k): 3.6603659727291085 +""", +) + +entry( + index = 288, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-4C-R_5R!H-inRing", + kinetics = ArrheniusBM(A=(12.4053,'m^3/(mol*s)'), n=2.24236, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(303.03,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-4C-R_5R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-4C-R_5R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-4C-R_5R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-4C-R_5R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 289, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-4C-R_N-5R!H-inRing", + kinetics = ArrheniusBM(A=(0.0301844,'m^3/(mol*s)'), n=2.80594, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.717486329859551, var=9.660177816275063, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-4C-R_N-5R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-4C-R_N-5R!H-inRing + Total Standard Deviation in ln(k): 10.546174616371292"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-4C-R_N-5R!H-inRing +Total Standard Deviation in ln(k): 10.546174616371292""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-4C-R_N-5R!H-inRing +Total Standard Deviation in ln(k): 10.546174616371292 +""", +) + +entry( + index = 290, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-1COS-R", + kinetics = ArrheniusBM(A=(0.0204576,'m^3/(mol*s)'), n=2.6644, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.0592735173081345, var=0.5469929606190304, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-1COS-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-1COS-R + Total Standard Deviation in ln(k): 4.144172713148125"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-1COS-R +Total Standard Deviation in ln(k): 4.144172713148125""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-1COS-R +Total Standard Deviation in ln(k): 4.144172713148125 +""", +) + +entry( + index = 291, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-1COS-R", + kinetics = ArrheniusBM(A=(0.0570687,'m^3/(mol*s)'), n=2.53787, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.9284389916762003, var=0.5457245905569241, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-1COS-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-1COS-R + Total Standard Deviation in ln(k): 3.813722726907481"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-1COS-R +Total Standard Deviation in ln(k): 3.813722726907481""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-1COS-R +Total Standard Deviation in ln(k): 3.813722726907481 +""", +) + +entry( + index = 292, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1COS-R", + kinetics = ArrheniusBM(A=(0.0195379,'m^3/(mol*s)'), n=2.6571, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.0517276382673488, var=0.5527785708452804, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1COS-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1COS-R + Total Standard Deviation in ln(k): 4.133033842485166"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1COS-R +Total Standard Deviation in ln(k): 4.133033842485166""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1COS-R +Total Standard Deviation in ln(k): 4.133033842485166 +""", +) + +entry( + index = 293, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1COS-R", + kinetics = ArrheniusBM(A=(0.00643907,'m^3/(mol*s)'), n=2.79093, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.1901140565510353, var=0.5431104844661406, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1COS-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1COS-R + Total Standard Deviation in ln(k): 4.467646487988019"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1COS-R +Total Standard Deviation in ln(k): 4.467646487988019""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1COS-R +Total Standard Deviation in ln(k): 4.467646487988019 +""", +) + +entry( + index = 294, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C_Ext-1COS-R", + kinetics = ArrheniusBM(A=(1.84438,'m^3/(mol*s)'), n=2.12559, w0=(333500,'J/mol'), E0=(51765.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.02366303763748899, var=0.23067089109834374, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C_Ext-1COS-R',), comment="""BM rule fitted to 7 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C_Ext-1COS-R + Total Standard Deviation in ln(k): 1.0222932319961715"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C_Ext-1COS-R +Total Standard Deviation in ln(k): 1.0222932319961715""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C_Ext-1COS-R +Total Standard Deviation in ln(k): 1.0222932319961715 +""", +) + +entry( + index = 295, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C_Ext-4C-R", + kinetics = ArrheniusBM(A=(387.375,'m^3/(mol*s)'), n=1.45884, w0=(333500,'J/mol'), E0=(49323.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06520580004521498, var=0.021654650229909585, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C_Ext-4C-R',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C_Ext-4C-R + Total Standard Deviation in ln(k): 0.4588408416168597"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C_Ext-4C-R +Total Standard Deviation in ln(k): 0.4588408416168597""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C_Ext-4C-R +Total Standard Deviation in ln(k): 0.4588408416168597 +""", +) + +entry( + index = 296, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS_Sp-4R!H-1COS_Ext-4R!H-R_Sp-6R!H=4R!H_Ext-1COS-R", + kinetics = ArrheniusBM(A=(3.0639,'m^3/(mol*s)'), n=2.08642, w0=(333500,'J/mol'), E0=(55567.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0035097409436351127, var=0.0046973647880130635, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS_Sp-4R!H-1COS_Ext-4R!H-R_Sp-6R!H=4R!H_Ext-1COS-R',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS_Sp-4R!H-1COS_Ext-4R!H-R_Sp-6R!H=4R!H_Ext-1COS-R + Total Standard Deviation in ln(k): 0.14621762221690732"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS_Sp-4R!H-1COS_Ext-4R!H-R_Sp-6R!H=4R!H_Ext-1COS-R +Total Standard Deviation in ln(k): 0.14621762221690732""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS_Sp-4R!H-1COS_Ext-4R!H-R_Sp-6R!H=4R!H_Ext-1COS-R +Total Standard Deviation in ln(k): 0.14621762221690732 +""", +) + +entry( + index = 297, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS_Sp-4R!H-1COS_Ext-4R!H-R_N-Sp-6R!H=4R!H_Ext-1COS-R", + kinetics = ArrheniusBM(A=(9.62493e-05,'m^3/(mol*s)'), n=3.36305, w0=(333500,'J/mol'), E0=(44711.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.3929682795188558, var=1.0615887908726946, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS_Sp-4R!H-1COS_Ext-4R!H-R_N-Sp-6R!H=4R!H_Ext-1COS-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS_Sp-4R!H-1COS_Ext-4R!H-R_N-Sp-6R!H=4R!H_Ext-1COS-R + Total Standard Deviation in ln(k): 5.565467633494003"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS_Sp-4R!H-1COS_Ext-4R!H-R_N-Sp-6R!H=4R!H_Ext-1COS-R +Total Standard Deviation in ln(k): 5.565467633494003""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS_Sp-4R!H-1COS_Ext-4R!H-R_N-Sp-6R!H=4R!H_Ext-1COS-R +Total Standard Deviation in ln(k): 5.565467633494003 +""", +) + +entry( + index = 298, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_Sp-2CS=1CCOSS_Sp-5R!H=4COS_Ext-1COS-R", + kinetics = ArrheniusBM(A=(5.43865e-05,'m^3/(mol*s)'), n=3.4617, w0=(333500,'J/mol'), E0=(26756.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.012063972535349063, var=0.3336708030434688, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_Sp-2CS=1CCOSS_Sp-5R!H=4COS_Ext-1COS-R',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_Sp-2CS=1CCOSS_Sp-5R!H=4COS_Ext-1COS-R + Total Standard Deviation in ln(k): 1.1883315756975357"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_Sp-2CS=1CCOSS_Sp-5R!H=4COS_Ext-1COS-R +Total Standard Deviation in ln(k): 1.1883315756975357""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_Sp-2CS=1CCOSS_Sp-5R!H=4COS_Ext-1COS-R +Total Standard Deviation in ln(k): 1.1883315756975357 +""", +) + +entry( + index = 299, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_Sp-2CS=1CCOSS_N-Sp-5R!H=4COS_Ext-1COS-R", + kinetics = ArrheniusBM(A=(46.3185,'m^3/(mol*s)'), n=1.74764, w0=(333500,'J/mol'), E0=(70759.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.6861145557249, var=1.0188258740456795, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_Sp-2CS=1CCOSS_N-Sp-5R!H=4COS_Ext-1COS-R',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_Sp-2CS=1CCOSS_N-Sp-5R!H=4COS_Ext-1COS-R + Total Standard Deviation in ln(k): 3.747423454460599"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_Sp-2CS=1CCOSS_N-Sp-5R!H=4COS_Ext-1COS-R +Total Standard Deviation in ln(k): 3.747423454460599""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_Sp-2CS=1CCOSS_N-Sp-5R!H=4COS_Ext-1COS-R +Total Standard Deviation in ln(k): 3.747423454460599 +""", +) + +entry( + index = 300, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-1COS-R", + kinetics = ArrheniusBM(A=(0.798372,'m^3/(mol*s)'), n=2.20452, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.5837340001866624, var=0.5512048405204836, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-1COS-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-1COS-R + Total Standard Deviation in ln(k): 2.9550472290682492"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-1COS-R +Total Standard Deviation in ln(k): 2.9550472290682492""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-1COS-R +Total Standard Deviation in ln(k): 2.9550472290682492 +""", +) + +entry( + index = 301, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-1COS-R", + kinetics = ArrheniusBM(A=(0.152276,'m^3/(mol*s)'), n=2.26291, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.6441202760680415, var=0.5489156523031953, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-1COS-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-1COS-R + Total Standard Deviation in ln(k): 3.103677659358227"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-1COS-R +Total Standard Deviation in ln(k): 3.103677659358227""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-1COS-R +Total Standard Deviation in ln(k): 3.103677659358227 +""", +) + +entry( + index = 302, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-1COS-R", + kinetics = ArrheniusBM(A=(0.0408017,'m^3/(mol*s)'), n=2.5622, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.953599939960108, var=0.5450831330229898, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-1COS-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-1COS-R + Total Standard Deviation in ln(k): 3.876070555540941"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-1COS-R +Total Standard Deviation in ln(k): 3.876070555540941""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-1COS-R +Total Standard Deviation in ln(k): 3.876070555540941 +""", +) + +entry( + index = 303, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4R!H-R_Sp-8R!H=4R!H_Ext-1COS-R", + kinetics = ArrheniusBM(A=(0.0181281,'m^3/(mol*s)'), n=2.75119, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10529186053134007, var=0.06865963642153003, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4R!H-R_Sp-8R!H=4R!H_Ext-1COS-R',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4R!H-R_Sp-8R!H=4R!H_Ext-1COS-R + Total Standard Deviation in ln(k): 0.7898528225615257"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4R!H-R_Sp-8R!H=4R!H_Ext-1COS-R +Total Standard Deviation in ln(k): 0.7898528225615257""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4R!H-R_Sp-8R!H=4R!H_Ext-1COS-R +Total Standard Deviation in ln(k): 0.7898528225615257 +""", +) + +entry( + index = 304, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4R!H-R_N-Sp-8R!H=4R!H_Ext-1COS-R", + kinetics = ArrheniusBM(A=(0.00171561,'m^3/(mol*s)'), n=3.02696, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.4341764576271352, var=0.0017547255969465726, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4R!H-R_N-Sp-8R!H=4R!H_Ext-1COS-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4R!H-R_N-Sp-8R!H=4R!H_Ext-1COS-R + Total Standard Deviation in ln(k): 3.6874356758824693"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4R!H-R_N-Sp-8R!H=4R!H_Ext-1COS-R +Total Standard Deviation in ln(k): 3.6874356758824693""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4R!H-R_N-Sp-8R!H=4R!H_Ext-1COS-R +Total Standard Deviation in ln(k): 3.6874356758824693 +""", +) + +entry( + index = 305, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4R!H-R_Sp-8R!H=4R!H_Ext-1COS-R", + kinetics = ArrheniusBM(A=(0.0505968,'m^3/(mol*s)'), n=2.62466, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09330221903113166, var=0.07026407558884655, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4R!H-R_Sp-8R!H=4R!H_Ext-1COS-R',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4R!H-R_Sp-8R!H=4R!H_Ext-1COS-R + Total Standard Deviation in ln(k): 0.7658302651200052"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4R!H-R_Sp-8R!H=4R!H_Ext-1COS-R +Total Standard Deviation in ln(k): 0.7658302651200052""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4R!H-R_Sp-8R!H=4R!H_Ext-1COS-R +Total Standard Deviation in ln(k): 0.7658302651200052 +""", +) + +entry( + index = 306, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4R!H-R_N-Sp-8R!H=4R!H_Ext-1COS-R", + kinetics = ArrheniusBM(A=(0.00478335,'m^3/(mol*s)'), n=2.90043, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.3033359183842343, var=0.0014460463291525243, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4R!H-R_N-Sp-8R!H=4R!H_Ext-1COS-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4R!H-R_N-Sp-8R!H=4R!H_Ext-1COS-R + Total Standard Deviation in ln(k): 3.350947254866428"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4R!H-R_N-Sp-8R!H=4R!H_Ext-1COS-R +Total Standard Deviation in ln(k): 3.350947254866428""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4R!H-R_N-Sp-8R!H=4R!H_Ext-1COS-R +Total Standard Deviation in ln(k): 3.350947254866428 +""", +) + +entry( + index = 307, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_Sp-7R!H=4C_Sp-6R!H=5R!H_Ext-1COS-R", + kinetics = ArrheniusBM(A=(0.01761,'m^3/(mol*s)'), n=2.74145, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10436953407047768, var=0.0671176864523084, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_Sp-7R!H=4C_Sp-6R!H=5R!H_Ext-1COS-R',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_Sp-7R!H=4C_Sp-6R!H=5R!H_Ext-1COS-R + Total Standard Deviation in ln(k): 0.7816033577529817"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_Sp-7R!H=4C_Sp-6R!H=5R!H_Ext-1COS-R +Total Standard Deviation in ln(k): 0.7816033577529817""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_Sp-7R!H=4C_Sp-6R!H=5R!H_Ext-1COS-R +Total Standard Deviation in ln(k): 0.7816033577529817 +""", +) + +entry( + index = 308, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_Sp-7R!H=4C_N-Sp-6R!H=5R!H_Ext-1COS-R", + kinetics = ArrheniusBM(A=(0.00569657,'m^3/(mol*s)'), n=2.87772, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.11728107724072782, var=0.0697693643458377, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_Sp-7R!H=4C_N-Sp-6R!H=5R!H_Ext-1COS-R',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_Sp-7R!H=4C_N-Sp-6R!H=5R!H_Ext-1COS-R + Total Standard Deviation in ln(k): 0.8242046138133113"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_Sp-7R!H=4C_N-Sp-6R!H=5R!H_Ext-1COS-R +Total Standard Deviation in ln(k): 0.8242046138133113""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_Sp-7R!H=4C_N-Sp-6R!H=5R!H_Ext-1COS-R +Total Standard Deviation in ln(k): 0.8242046138133113 +""", +) + +entry( + index = 309, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_N-Sp-7R!H=4C_Sp-6R!H=5R!H_Ext-1COS-R", + kinetics = ArrheniusBM(A=(0.00164095,'m^3/(mol*s)'), n=3.01966, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.4266269704197698, var=0.001539772229640064, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_N-Sp-7R!H=4C_Sp-6R!H=5R!H_Ext-1COS-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_N-Sp-7R!H=4C_Sp-6R!H=5R!H_Ext-1COS-R + Total Standard Deviation in ln(k): 3.663155542680038"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_N-Sp-7R!H=4C_Sp-6R!H=5R!H_Ext-1COS-R +Total Standard Deviation in ln(k): 3.663155542680038""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_N-Sp-7R!H=4C_Sp-6R!H=5R!H_Ext-1COS-R +Total Standard Deviation in ln(k): 3.663155542680038 +""", +) + +entry( + index = 310, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_N-Sp-7R!H=4C_N-Sp-6R!H=5R!H_Ext-1COS-R", + kinetics = ArrheniusBM(A=(0.000552365,'m^3/(mol*s)'), n=3.15106, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.5624984965972584, var=0.0016700315464079454, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_N-Sp-7R!H=4C_N-Sp-6R!H=5R!H_Ext-1COS-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_N-Sp-7R!H=4C_N-Sp-6R!H=5R!H_Ext-1COS-R + Total Standard Deviation in ln(k): 4.007801162273651"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_N-Sp-7R!H=4C_N-Sp-6R!H=5R!H_Ext-1COS-R +Total Standard Deviation in ln(k): 4.007801162273651""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_N-Sp-7R!H=4C_N-Sp-6R!H=5R!H_Ext-1COS-R +Total Standard Deviation in ln(k): 4.007801162273651 +""", +) + +entry( + index = 311, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4R!H-R_Sp-9R!H=4R!H_Ext-1COS-R", + kinetics = ArrheniusBM(A=(0.702525,'m^3/(mol*s)'), n=2.29211, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0617916443848671, var=0.06692261064979392, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4R!H-R_Sp-9R!H=4R!H_Ext-1COS-R',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4R!H-R_Sp-9R!H=4R!H_Ext-1COS-R + Total Standard Deviation in ln(k): 0.6738684209345827"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4R!H-R_Sp-9R!H=4R!H_Ext-1COS-R +Total Standard Deviation in ln(k): 0.6738684209345827""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4R!H-R_Sp-9R!H=4R!H_Ext-1COS-R +Total Standard Deviation in ln(k): 0.6738684209345827 +""", +) + +entry( + index = 312, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4R!H-R_N-Sp-9R!H=4R!H_Ext-1COS-R", + kinetics = ArrheniusBM(A=(0.0671965,'m^3/(mol*s)'), n=2.56707, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.9586345350612765, var=0.001829563387327832, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4R!H-R_N-Sp-9R!H=4R!H_Ext-1COS-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4R!H-R_N-Sp-9R!H=4R!H_Ext-1COS-R + Total Standard Deviation in ln(k): 2.494378811996181"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4R!H-R_N-Sp-9R!H=4R!H_Ext-1COS-R +Total Standard Deviation in ln(k): 2.494378811996181""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4R!H-R_N-Sp-9R!H=4R!H_Ext-1COS-R +Total Standard Deviation in ln(k): 2.494378811996181 +""", +) + +entry( + index = 313, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4R!H-R_Sp-9R!H=4R!H_Ext-1COS-R", + kinetics = ArrheniusBM(A=(0.137559,'m^3/(mol*s)'), n=2.34727, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06701779675352879, var=0.0684258682592701, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4R!H-R_Sp-9R!H=4R!H_Ext-1COS-R',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4R!H-R_Sp-9R!H=4R!H_Ext-1COS-R + Total Standard Deviation in ln(k): 0.692791815221807"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4R!H-R_Sp-9R!H=4R!H_Ext-1COS-R +Total Standard Deviation in ln(k): 0.692791815221807""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4R!H-R_Sp-9R!H=4R!H_Ext-1COS-R +Total Standard Deviation in ln(k): 0.692791815221807 +""", +) + +entry( + index = 314, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4R!H-R_N-Sp-9R!H=4R!H_Ext-1COS-R", + kinetics = ArrheniusBM(A=(0.0130631,'m^3/(mol*s)'), n=2.62303, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.0164999052254913, var=0.0012687412112191555, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4R!H-R_N-Sp-9R!H=4R!H_Ext-1COS-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4R!H-R_N-Sp-9R!H=4R!H_Ext-1COS-R + Total Standard Deviation in ln(k): 2.6254273104646044"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4R!H-R_N-Sp-9R!H=4R!H_Ext-1COS-R +Total Standard Deviation in ln(k): 2.6254273104646044""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4R!H-R_N-Sp-9R!H=4R!H_Ext-1COS-R +Total Standard Deviation in ln(k): 2.6254273104646044 +""", +) + +entry( + index = 315, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4R!H-R_Sp-9R!H=4R!H_Ext-1COS-R", + kinetics = ArrheniusBM(A=(0.0362339,'m^3/(mol*s)'), n=2.64899, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09560787955614843, var=0.06793337911925965, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4R!H-R_Sp-9R!H=4R!H_Ext-1COS-R',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4R!H-R_Sp-9R!H=4R!H_Ext-1COS-R + Total Standard Deviation in ln(k): 0.7627356054125113"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4R!H-R_Sp-9R!H=4R!H_Ext-1COS-R +Total Standard Deviation in ln(k): 0.7627356054125113""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4R!H-R_Sp-9R!H=4R!H_Ext-1COS-R +Total Standard Deviation in ln(k): 0.7627356054125113 +""", +) + +entry( + index = 316, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4R!H-R_N-Sp-9R!H=4R!H_Ext-1COS-R", + kinetics = ArrheniusBM(A=(0.00343197,'m^3/(mol*s)'), n=2.92476, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.3284968666681425, var=0.001420444852077326, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4R!H-R_N-Sp-9R!H=4R!H_Ext-1COS-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4R!H-R_N-Sp-9R!H=4R!H_Ext-1COS-R + Total Standard Deviation in ln(k): 3.413487864084048"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4R!H-R_N-Sp-9R!H=4R!H_Ext-1COS-R +Total Standard Deviation in ln(k): 3.413487864084048""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4R!H-R_N-Sp-9R!H=4R!H_Ext-1COS-R +Total Standard Deviation in ln(k): 3.413487864084048 +""", +) + +entry( + index = 317, + label = "Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R", + kinetics = ArrheniusBM(A=(1.69272e-06,'m^3/(mol*s)'), n=3.49072, w0=(296400,'J/mol'), E0=(49636.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.005548390143357162, var=11.368255309924933, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R',), comment="""BM rule fitted to 5 training reactions at node Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R + Total Standard Deviation in ln(k): 6.773274551389962"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R +Total Standard Deviation in ln(k): 6.773274551389962""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R +Total Standard Deviation in ln(k): 6.773274551389962 +""", +) + +entry( + index = 318, + label = "Root_N-3R-inRing_3R->C", + kinetics = ArrheniusBM(A=(2.61334e+08,'m^3/(mol*s)'), n=-0.619458, w0=(301079,'J/mol'), E0=(85903.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.21203561485608863, var=6.934981860811564, Tref=1000.0, N=191, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C',), comment="""BM rule fitted to 191 training reactions at node Root_N-3R-inRing_3R->C + Total Standard Deviation in ln(k): 5.812093066324379"""), + rank = 11, + shortDesc = """BM rule fitted to 191 training reactions at node Root_N-3R-inRing_3R->C +Total Standard Deviation in ln(k): 5.812093066324379""", + longDesc = +""" +BM rule fitted to 191 training reactions at node Root_N-3R-inRing_3R->C +Total Standard Deviation in ln(k): 5.812093066324379 +""", +) + +entry( + index = 319, + label = "Root_N-3R-inRing_N-3R->C", + kinetics = ArrheniusBM(A=(1.25986e+08,'m^3/(mol*s)'), n=-0.928242, w0=(291526,'J/mol'), E0=(21149.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.05605274449254306, var=25.099758092827646, Tref=1000.0, N=19, data_mean=0.0, correlation='Root_N-3R-inRing_N-3R->C',), comment="""BM rule fitted to 19 training reactions at node Root_N-3R-inRing_N-3R->C + Total Standard Deviation in ln(k): 10.184490372433077"""), + rank = 11, + shortDesc = """BM rule fitted to 19 training reactions at node Root_N-3R-inRing_N-3R->C +Total Standard Deviation in ln(k): 10.184490372433077""", + longDesc = +""" +BM rule fitted to 19 training reactions at node Root_N-3R-inRing_N-3R->C +Total Standard Deviation in ln(k): 10.184490372433077 +""", +) + +entry( + index = 320, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_Sp-4R!H-1R!H", + kinetics = ArrheniusBM(A=(6.52071,'m^3/(mol*s)'), n=2.0887, w0=(291500,'J/mol'), E0=(51525.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.13175963135061367, var=2.5271278813424947, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_Sp-4R!H-1R!H',), comment="""BM rule fitted to 8 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_Sp-4R!H-1R!H + Total Standard Deviation in ln(k): 3.5179702213747954"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_Sp-4R!H-1R!H +Total Standard Deviation in ln(k): 3.5179702213747954""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_Sp-4R!H-1R!H +Total Standard Deviation in ln(k): 3.5179702213747954 +""", +) + +entry( + index = 321, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_N-Sp-4R!H-1R!H", + kinetics = ArrheniusBM(A=(322.3,'m^3/(mol*s)'), n=1.48483, w0=(291500,'J/mol'), E0=(35613.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.023898346238915662, var=18.062785563515295, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_N-Sp-4R!H-1R!H',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_N-Sp-4R!H-1R!H + Total Standard Deviation in ln(k): 8.58023752523019"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_N-Sp-4R!H-1R!H +Total Standard Deviation in ln(k): 8.58023752523019""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_N-Sp-4R!H-1R!H +Total Standard Deviation in ln(k): 8.58023752523019 +""", +) + +entry( + index = 322, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-4R!H-2COS_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Int-7R!H-6R!H_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.00076473,'m^3/(mol*s)'), n=3.23452, w0=(291500,'J/mol'), E0=(-7759.44,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.16723672349938143, var=1.3744704488849073, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-4R!H-2COS_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Int-7R!H-6R!H_Ext-7R!H-R',), comment="""BM rule fitted to 5 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-4R!H-2COS_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Int-7R!H-6R!H_Ext-7R!H-R + Total Standard Deviation in ln(k): 2.7705003074437973"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-4R!H-2COS_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Int-7R!H-6R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 2.7705003074437973""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-4R!H-2COS_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Int-7R!H-6R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 2.7705003074437973 +""", +) + +entry( + index = 323, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-4R!H-2COS_Ext-2COS-R", + kinetics = ArrheniusBM(A=(8.82174,'m^3/(mol*s)'), n=2.18959, w0=(291500,'J/mol'), E0=(53702.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.230131666882917e-15, var=14.62940869871475, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-4R!H-2COS_Ext-2COS-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-4R!H-2COS_Ext-2COS-R + Total Standard Deviation in ln(k): 7.667792924296491"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-4R!H-2COS_Ext-2COS-R +Total Standard Deviation in ln(k): 7.667792924296491""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-4R!H-2COS_Ext-2COS-R +Total Standard Deviation in ln(k): 7.667792924296491 +""", +) + +entry( + index = 324, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-4R!H-2COS_Ext-5R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(1123.3,'m^3/(mol*s)'), n=1.42368, w0=(291500,'J/mol'), E0=(60073.6,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-4R!H-2COS_Ext-5R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-4R!H-2COS_Ext-5R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-4R!H-2COS_Ext-5R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-4R!H-2COS_Ext-5R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 325, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-4R!H-2COS_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(539.645,'m^3/(mol*s)'), n=1.42903, w0=(291500,'J/mol'), E0=(60786,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-4R!H-2COS_Ext-4R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-4R!H-2COS_Ext-4R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-4R!H-2COS_Ext-4R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-4R!H-2COS_Ext-4R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 326, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-4R!H-2COS_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(8.785,'m^3/(mol*s)'), n=1.859, w0=(291500,'J/mol'), E0=(46119.6,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-4R!H-2COS_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-4R!H-2COS_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-4R!H-2COS_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-4R!H-2COS_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 327, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_Sp-5R!H-4R!H_Sp-2COS=1CCOOSS", + kinetics = ArrheniusBM(A=(26.2613,'m^3/(mol*s)'), n=1.73075, w0=(333500,'J/mol'), E0=(15352.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.020323267051925453, var=0.43752780884103687, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_Sp-5R!H-4R!H_Sp-2COS=1CCOOSS',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_Sp-5R!H-4R!H_Sp-2COS=1CCOOSS + Total Standard Deviation in ln(k): 1.3771132417778655"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_Sp-5R!H-4R!H_Sp-2COS=1CCOOSS +Total Standard Deviation in ln(k): 1.3771132417778655""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_Sp-5R!H-4R!H_Sp-2COS=1CCOOSS +Total Standard Deviation in ln(k): 1.3771132417778655 +""", +) + +entry( + index = 328, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_Sp-5R!H-4R!H_N-Sp-2COS=1CCOOSS", + kinetics = ArrheniusBM(A=(115.273,'m^3/(mol*s)'), n=1.79981, w0=(322000,'J/mol'), E0=(32200,'J/mol'), Tmin=(303.03,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_Sp-5R!H-4R!H_N-Sp-2COS=1CCOOSS',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_Sp-5R!H-4R!H_N-Sp-2COS=1CCOOSS + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_Sp-5R!H-4R!H_N-Sp-2COS=1CCOOSS +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_Sp-5R!H-4R!H_N-Sp-2COS=1CCOOSS +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 329, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_1COS-inRing", + kinetics = ArrheniusBM(A=(4.18924,'m^3/(mol*s)'), n=2.06465, w0=(333500,'J/mol'), E0=(51532,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.10574193397577104, var=0.2812094734592165, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_1COS-inRing',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_1COS-inRing + Total Standard Deviation in ln(k): 1.3287779757170775"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_1COS-inRing +Total Standard Deviation in ln(k): 1.3287779757170775""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_1COS-inRing +Total Standard Deviation in ln(k): 1.3287779757170775 +""", +) + +entry( + index = 330, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing", + kinetics = ArrheniusBM(A=(1.71443e-05,'m^3/(mol*s)'), n=3.6533, w0=(330146,'J/mol'), E0=(30069.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.03213352112871544, var=6.268540959232688, Tref=1000.0, N=24, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing',), comment="""BM rule fitted to 24 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing + Total Standard Deviation in ln(k): 5.100003620892743"""), + rank = 11, + shortDesc = """BM rule fitted to 24 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing +Total Standard Deviation in ln(k): 5.100003620892743""", + longDesc = +""" +BM rule fitted to 24 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing +Total Standard Deviation in ln(k): 5.100003620892743 +""", +) + +entry( + index = 331, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Sp-2COS=1R!H", + kinetics = ArrheniusBM(A=(21717.2,'m^3/(mol*s)'), n=1.13576, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(303.03,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Sp-2COS=1R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Sp-2COS=1R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Sp-2COS=1R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Sp-2COS=1R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 332, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-Sp-2COS=1R!H", + kinetics = ArrheniusBM(A=(458600,'m^3/(mol*s)'), n=0.743, w0=(322000,'J/mol'), E0=(32200,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-Sp-2COS=1R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-Sp-2COS=1R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-Sp-2COS=1R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-Sp-2COS=1R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 333, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(11.4248,'m^3/(mol*s)'), n=1.85188, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06060000547316006, var=11.79862100542739, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-4R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-4R!H-R + Total Standard Deviation in ln(k): 7.03835005718815"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-4R!H-R +Total Standard Deviation in ln(k): 7.03835005718815""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-4R!H-R +Total Standard Deviation in ln(k): 7.03835005718815 +""", +) + +entry( + index = 334, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_Ext-1COS-R_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(6.43241e-07,'m^3/(mol*s)'), n=3.83869, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.20833935404719758, var=0.12349660986146686, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_Ext-1COS-R_Ext-4R!H-R',), comment="""BM rule fitted to 5 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_Ext-1COS-R_Ext-4R!H-R + Total Standard Deviation in ln(k): 1.2279714073331065"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_Ext-1COS-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 1.2279714073331065""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_Ext-1COS-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 1.2279714073331065 +""", +) + +entry( + index = 335, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_Sp-4R!H-1COS_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(6.37326,'m^3/(mol*s)'), n=2.0143, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-2.3205869399058385, var=12.163692293071286, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_Sp-4R!H-1COS_Ext-4R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_Sp-4R!H-1COS_Ext-4R!H-R + Total Standard Deviation in ln(k): 12.822431804710288"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_Sp-4R!H-1COS_Ext-4R!H-R +Total Standard Deviation in ln(k): 12.822431804710288""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_Sp-4R!H-1COS_Ext-4R!H-R +Total Standard Deviation in ln(k): 12.822431804710288 +""", +) + +entry( + index = 336, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-Sp-4R!H-1COS_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(1149,'m^3/(mol*s)'), n=1.595, w0=(333500,'J/mol'), E0=(33350,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-Sp-4R!H-1COS_Ext-4R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-Sp-4R!H-1COS_Ext-4R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-Sp-4R!H-1COS_Ext-4R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-Sp-4R!H-1COS_Ext-4R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 337, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_4COS->C_N-2CS->C_Ext-1COS-R_5R!H->O", + kinetics = ArrheniusBM(A=(2010,'m^3/(mol*s)'), n=1.21, w0=(356000,'J/mol'), E0=(26204.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_4COS->C_N-2CS->C_Ext-1COS-R_5R!H->O',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_4COS->C_N-2CS->C_Ext-1COS-R_5R!H->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_4COS->C_N-2CS->C_Ext-1COS-R_5R!H->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_4COS->C_N-2CS->C_Ext-1COS-R_5R!H->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 338, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_4COS->C_N-2CS->C_Ext-1COS-R_N-5R!H->O", + kinetics = ArrheniusBM(A=(1.62e+07,'m^3/(mol*s)'), n=0, w0=(356000,'J/mol'), E0=(35600,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_4COS->C_N-2CS->C_Ext-1COS-R_N-5R!H->O',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_4COS->C_N-2CS->C_Ext-1COS-R_N-5R!H->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_4COS->C_N-2CS->C_Ext-1COS-R_N-5R!H->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_4COS->C_N-2CS->C_Ext-1COS-R_N-5R!H->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 339, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS_Sp-4R!H-1COS_Ext-1COS-R_6R!H-inRing", + kinetics = ArrheniusBM(A=(60.9,'m^3/(mol*s)'), n=1.64, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS_Sp-4R!H-1COS_Ext-1COS-R_6R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS_Sp-4R!H-1COS_Ext-1COS-R_6R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS_Sp-4R!H-1COS_Ext-1COS-R_6R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS_Sp-4R!H-1COS_Ext-1COS-R_6R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 340, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS_Sp-4R!H-1COS_Ext-1COS-R_N-6R!H-inRing", + kinetics = ArrheniusBM(A=(65.1,'m^3/(mol*s)'), n=1.64, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS_Sp-4R!H-1COS_Ext-1COS-R_N-6R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS_Sp-4R!H-1COS_Ext-1COS-R_N-6R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS_Sp-4R!H-1COS_Ext-1COS-R_N-6R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS_Sp-4R!H-1COS_Ext-1COS-R_N-6R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 341, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_6R!H-inRing", + kinetics = ArrheniusBM(A=(1.83275e-05,'m^3/(mol*s)'), n=3.53794, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1798414912574232, var=0.21479362885165532, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_6R!H-inRing',), comment="""BM rule fitted to 7 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_6R!H-inRing + Total Standard Deviation in ln(k): 1.3809742256798145"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_6R!H-inRing +Total Standard Deviation in ln(k): 1.3809742256798145""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_6R!H-inRing +Total Standard Deviation in ln(k): 1.3809742256798145 +""", +) + +entry( + index = 342, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_N-6R!H-inRing", + kinetics = ArrheniusBM(A=(1.53116,'m^3/(mol*s)'), n=2.1678, w0=(333500,'J/mol'), E0=(48197.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.020972488105257793, var=0.22360434637643056, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_N-6R!H-inRing',), comment="""BM rule fitted to 7 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_N-6R!H-inRing + Total Standard Deviation in ln(k): 1.0006701862802099"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_N-6R!H-inRing +Total Standard Deviation in ln(k): 1.0006701862802099""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_N-6R!H-inRing +Total Standard Deviation in ln(k): 1.0006701862802099 +""", +) + +entry( + index = 343, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_6R!H-inRing_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(0.00554527,'m^3/(mol*s)'), n=2.88096, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.283208362479301, var=0.03888278418240741, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_6R!H-inRing_Ext-4R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_6R!H-inRing_Ext-4R!H-R + Total Standard Deviation in ln(k): 3.619449671977143"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_6R!H-inRing_Ext-4R!H-R +Total Standard Deviation in ln(k): 3.619449671977143""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_6R!H-inRing_Ext-4R!H-R +Total Standard Deviation in ln(k): 3.619449671977143 +""", +) + +entry( + index = 344, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_N-6R!H-inRing_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(4.3357e-07,'m^3/(mol*s)'), n=3.90295, w0=(333500,'J/mol'), E0=(-7991.37,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=2.755768040292255, var=25.8583048438363, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_N-6R!H-inRing_Ext-4R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_N-6R!H-inRing_Ext-4R!H-R + Total Standard Deviation in ln(k): 17.118331030005937"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_N-6R!H-inRing_Ext-4R!H-R +Total Standard Deviation in ln(k): 17.118331030005937""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_N-6R!H-inRing_Ext-4R!H-R +Total Standard Deviation in ln(k): 17.118331030005937 +""", +) + +entry( + index = 345, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_4COS->C_2CS->C_Sp-2C=1COS_Sp-4C-1COS_Ext-1COS-R_5R!H-inRing", + kinetics = ArrheniusBM(A=(15.2499,'m^3/(mol*s)'), n=1.92553, w0=(333500,'J/mol'), E0=(63411.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6625514020605084, var=0.9974304944994032, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_4COS->C_2CS->C_Sp-2C=1COS_Sp-4C-1COS_Ext-1COS-R_5R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_4COS->C_2CS->C_Sp-2C=1COS_Sp-4C-1COS_Ext-1COS-R_5R!H-inRing + Total Standard Deviation in ln(k): 3.666859847090736"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_4COS->C_2CS->C_Sp-2C=1COS_Sp-4C-1COS_Ext-1COS-R_5R!H-inRing +Total Standard Deviation in ln(k): 3.666859847090736""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_4COS->C_2CS->C_Sp-2C=1COS_Sp-4C-1COS_Ext-1COS-R_5R!H-inRing +Total Standard Deviation in ln(k): 3.666859847090736 +""", +) + +entry( + index = 346, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_4COS->C_2CS->C_Sp-2C=1COS_Sp-4C-1COS_Ext-1COS-R_N-5R!H-inRing", + kinetics = ArrheniusBM(A=(162.661,'m^3/(mol*s)'), n=1.56044, w0=(333500,'J/mol'), E0=(54376.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.14994841755858135, var=0.0895201320306693, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_4COS->C_2CS->C_Sp-2C=1COS_Sp-4C-1COS_Ext-1COS-R_N-5R!H-inRing',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_4COS->C_2CS->C_Sp-2C=1COS_Sp-4C-1COS_Ext-1COS-R_N-5R!H-inRing + Total Standard Deviation in ln(k): 0.976569851362329"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_4COS->C_2CS->C_Sp-2C=1COS_Sp-4C-1COS_Ext-1COS-R_N-5R!H-inRing +Total Standard Deviation in ln(k): 0.976569851362329""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_4COS->C_2CS->C_Sp-2C=1COS_Sp-4C-1COS_Ext-1COS-R_N-5R!H-inRing +Total Standard Deviation in ln(k): 0.976569851362329 +""", +) + +entry( + index = 347, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-2C-R_Ext-4C-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.0010718,'m^3/(mol*s)'), n=3.08184, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=2.8429355465987496, var=0.29953223726290046, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-2C-R_Ext-4C-R_Ext-6R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-2C-R_Ext-4C-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 8.240236391028157"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-2C-R_Ext-4C-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 8.240236391028157""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-2C-R_Ext-4C-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 8.240236391028157 +""", +) + +entry( + index = 348, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-2C-R_Ext-4C-R_N-Sp-6R!H#4C", + kinetics = ArrheniusBM(A=(15976.2,'m^3/(mol*s)'), n=1.12415, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5334121036188467, var=0.034617966728247344, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-2C-R_Ext-4C-R_N-Sp-6R!H#4C',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-2C-R_Ext-4C-R_N-Sp-6R!H#4C + Total Standard Deviation in ln(k): 1.7132305020350915"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-2C-R_Ext-4C-R_N-Sp-6R!H#4C +Total Standard Deviation in ln(k): 1.7132305020350915""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-2C-R_Ext-4C-R_N-Sp-6R!H#4C +Total Standard Deviation in ln(k): 1.7132305020350915 +""", +) + +entry( + index = 349, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-4C-R_N-5R!H-inRing_5R!H->C", + kinetics = ArrheniusBM(A=(713700,'m^3/(mol*s)'), n=0.557, w0=(333500,'J/mol'), E0=(33350,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-4C-R_N-5R!H-inRing_5R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-4C-R_N-5R!H-inRing_5R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-4C-R_N-5R!H-inRing_5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-4C-R_N-5R!H-inRing_5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 350, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-4C-R_N-5R!H-inRing_N-5R!H->C", + kinetics = ArrheniusBM(A=(501.4,'m^3/(mol*s)'), n=1.733, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-4C-R_N-5R!H-inRing_N-5R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-4C-R_N-5R!H-inRing_N-5R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-4C-R_N-5R!H-inRing_N-5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-4C-R_N-5R!H-inRing_N-5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 351, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-1COS-R_8R!H-inRing", + kinetics = ArrheniusBM(A=(74.4,'m^3/(mol*s)'), n=1.64, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-1COS-R_8R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-1COS-R_8R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-1COS-R_8R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-1COS-R_8R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 352, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-1COS-R_N-8R!H-inRing", + kinetics = ArrheniusBM(A=(79.6,'m^3/(mol*s)'), n=1.64, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-1COS-R_N-8R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-1COS-R_N-8R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-1COS-R_N-8R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-1COS-R_N-8R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 353, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-1COS-R_8R!H-inRing", + kinetics = ArrheniusBM(A=(75.1,'m^3/(mol*s)'), n=1.64, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-1COS-R_8R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-1COS-R_8R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-1COS-R_8R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-1COS-R_8R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 354, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-1COS-R_N-8R!H-inRing", + kinetics = ArrheniusBM(A=(80.3,'m^3/(mol*s)'), n=1.64, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-1COS-R_N-8R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-1COS-R_N-8R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-1COS-R_N-8R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-1COS-R_N-8R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 355, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1COS-R_7R!H-inRing", + kinetics = ArrheniusBM(A=(67,'m^3/(mol*s)'), n=1.64, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1COS-R_7R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1COS-R_7R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1COS-R_7R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1COS-R_7R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 356, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1COS-R_N-7R!H-inRing", + kinetics = ArrheniusBM(A=(71.7,'m^3/(mol*s)'), n=1.64, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1COS-R_N-7R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1COS-R_N-7R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1COS-R_N-7R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1COS-R_N-7R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 357, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1COS-R_7R!H-inRing", + kinetics = ArrheniusBM(A=(64.8,'m^3/(mol*s)'), n=1.64, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1COS-R_7R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1COS-R_7R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1COS-R_7R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1COS-R_7R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 358, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1COS-R_N-7R!H-inRing", + kinetics = ArrheniusBM(A=(69.2,'m^3/(mol*s)'), n=1.64, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1COS-R_N-7R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1COS-R_N-7R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1COS-R_N-7R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1COS-R_N-7R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 359, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C_Ext-1COS-R_6R!H-inRing", + kinetics = ArrheniusBM(A=(72.2,'m^3/(mol*s)'), n=1.64, w0=(333500,'J/mol'), E0=(63659.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C_Ext-1COS-R_6R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C_Ext-1COS-R_6R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C_Ext-1COS-R_6R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C_Ext-1COS-R_6R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 360, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C_Ext-1COS-R_N-6R!H-inRing", + kinetics = ArrheniusBM(A=(0.834348,'m^3/(mol*s)'), n=2.23397, w0=(333500,'J/mol'), E0=(49702.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.027752192875282872, var=0.13584758667756466, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C_Ext-1COS-R_N-6R!H-inRing',), comment="""BM rule fitted to 6 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C_Ext-1COS-R_N-6R!H-inRing + Total Standard Deviation in ln(k): 0.8086245114170524"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C_Ext-1COS-R_N-6R!H-inRing +Total Standard Deviation in ln(k): 0.8086245114170524""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C_Ext-1COS-R_N-6R!H-inRing +Total Standard Deviation in ln(k): 0.8086245114170524 +""", +) + +entry( + index = 361, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C_Ext-4C-R_N-Sp-6R!H=4C", + kinetics = ArrheniusBM(A=(933.813,'m^3/(mol*s)'), n=1.34502, w0=(333500,'J/mol'), E0=(50902.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.0037235860486313, var=0.015206876065425427, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C_Ext-4C-R_N-Sp-6R!H=4C',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C_Ext-4C-R_N-Sp-6R!H=4C + Total Standard Deviation in ln(k): 2.769134795555026"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C_Ext-4C-R_N-Sp-6R!H=4C +Total Standard Deviation in ln(k): 2.769134795555026""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C_Ext-4C-R_N-Sp-6R!H=4C +Total Standard Deviation in ln(k): 2.769134795555026 +""", +) + +entry( + index = 362, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS_Sp-4R!H-1COS_Ext-4R!H-R_Sp-6R!H=4R!H_Ext-1COS-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(3.87088,'m^3/(mol*s)'), n=2.06641, w0=(333500,'J/mol'), E0=(56436,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.002407803161842432, var=0.01692666515250563, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS_Sp-4R!H-1COS_Ext-4R!H-R_Sp-6R!H=4R!H_Ext-1COS-R_Ext-7R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS_Sp-4R!H-1COS_Ext-4R!H-R_Sp-6R!H=4R!H_Ext-1COS-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 0.26687083789153454"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS_Sp-4R!H-1COS_Ext-4R!H-R_Sp-6R!H=4R!H_Ext-1COS-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.26687083789153454""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS_Sp-4R!H-1COS_Ext-4R!H-R_Sp-6R!H=4R!H_Ext-1COS-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.26687083789153454 +""", +) + +entry( + index = 363, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS_Sp-4R!H-1COS_Ext-4R!H-R_N-Sp-6R!H=4R!H_Ext-1COS-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(115,'m^3/(mol*s)'), n=1.64, w0=(333500,'J/mol'), E0=(66370.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS_Sp-4R!H-1COS_Ext-4R!H-R_N-Sp-6R!H=4R!H_Ext-1COS-R_Ext-7R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS_Sp-4R!H-1COS_Ext-4R!H-R_N-Sp-6R!H=4R!H_Ext-1COS-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS_Sp-4R!H-1COS_Ext-4R!H-R_N-Sp-6R!H=4R!H_Ext-1COS-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS_Sp-4R!H-1COS_Ext-4R!H-R_N-Sp-6R!H=4R!H_Ext-1COS-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 364, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_Sp-2CS=1CCOSS_Sp-5R!H=4COS_Ext-1COS-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(1.86165e-05,'m^3/(mol*s)'), n=3.60607, w0=(333500,'J/mol'), E0=(25841.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.2941290649380934, var=0.6185332304804456, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_Sp-2CS=1CCOSS_Sp-5R!H=4COS_Ext-1COS-R_Ext-6R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_Sp-2CS=1CCOSS_Sp-5R!H=4COS_Ext-1COS-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 4.828242228590985"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_Sp-2CS=1CCOSS_Sp-5R!H=4COS_Ext-1COS-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 4.828242228590985""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_Sp-2CS=1CCOSS_Sp-5R!H=4COS_Ext-1COS-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 4.828242228590985 +""", +) + +entry( + index = 365, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_Sp-2CS=1CCOSS_N-Sp-5R!H=4COS_Ext-1COS-R_6R!H-inRing", + kinetics = ArrheniusBM(A=(108.1,'m^3/(mol*s)'), n=1.65, w0=(333500,'J/mol'), E0=(73006.4,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_Sp-2CS=1CCOSS_N-Sp-5R!H=4COS_Ext-1COS-R_6R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_Sp-2CS=1CCOSS_N-Sp-5R!H=4COS_Ext-1COS-R_6R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_Sp-2CS=1CCOSS_N-Sp-5R!H=4COS_Ext-1COS-R_6R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_Sp-2CS=1CCOSS_N-Sp-5R!H=4COS_Ext-1COS-R_6R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 366, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_Sp-2CS=1CCOSS_N-Sp-5R!H=4COS_Ext-1COS-R_N-6R!H-inRing", + kinetics = ArrheniusBM(A=(6.43798,'m^3/(mol*s)'), n=1.97632, w0=(333500,'J/mol'), E0=(59291.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.004631322859120469, var=0.041293121569144234, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_Sp-2CS=1CCOSS_N-Sp-5R!H=4COS_Ext-1COS-R_N-6R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_Sp-2CS=1CCOSS_N-Sp-5R!H=4COS_Ext-1COS-R_N-6R!H-inRing + Total Standard Deviation in ln(k): 0.41901287159873746"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_Sp-2CS=1CCOSS_N-Sp-5R!H=4COS_Ext-1COS-R_N-6R!H-inRing +Total Standard Deviation in ln(k): 0.41901287159873746""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_Sp-2CS=1CCOSS_N-Sp-5R!H=4COS_Ext-1COS-R_N-6R!H-inRing +Total Standard Deviation in ln(k): 0.41901287159873746 +""", +) + +entry( + index = 367, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-1COS-R_9R!H-inRing", + kinetics = ArrheniusBM(A=(72.1,'m^3/(mol*s)'), n=1.64, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-1COS-R_9R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-1COS-R_9R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-1COS-R_9R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-1COS-R_9R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 368, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-1COS-R_N-9R!H-inRing", + kinetics = ArrheniusBM(A=(77.1,'m^3/(mol*s)'), n=1.64, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-1COS-R_N-9R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-1COS-R_N-9R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-1COS-R_N-9R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-1COS-R_N-9R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 369, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-1COS-R_9R!H-inRing", + kinetics = ArrheniusBM(A=(22,'m^3/(mol*s)'), n=1.64, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-1COS-R_9R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-1COS-R_9R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-1COS-R_9R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-1COS-R_9R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 370, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-1COS-R_N-9R!H-inRing", + kinetics = ArrheniusBM(A=(23.5,'m^3/(mol*s)'), n=1.64, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-1COS-R_N-9R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-1COS-R_N-9R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-1COS-R_N-9R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-1COS-R_N-9R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 371, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-1COS-R_9R!H-inRing", + kinetics = ArrheniusBM(A=(65.3,'m^3/(mol*s)'), n=1.64, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-1COS-R_9R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-1COS-R_9R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-1COS-R_9R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-1COS-R_9R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 372, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-1COS-R_N-9R!H-inRing", + kinetics = ArrheniusBM(A=(69.8,'m^3/(mol*s)'), n=1.64, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-1COS-R_N-9R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-1COS-R_N-9R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-1COS-R_N-9R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-1COS-R_N-9R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 373, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4R!H-R_Sp-8R!H=4R!H_Ext-1COS-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.00620062,'m^3/(mol*s)'), n=2.89556, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.298307336894032, var=0.030826618000740477, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4R!H-R_Sp-8R!H=4R!H_Ext-1COS-R_Ext-9R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4R!H-R_Sp-8R!H=4R!H_Ext-1COS-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 3.614060310508266"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4R!H-R_Sp-8R!H=4R!H_Ext-1COS-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 3.614060310508266""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4R!H-R_Sp-8R!H=4R!H_Ext-1COS-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 3.614060310508266 +""", +) + +entry( + index = 374, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4R!H-R_N-Sp-8R!H=4R!H_Ext-1COS-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(140,'m^3/(mol*s)'), n=1.64, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4R!H-R_N-Sp-8R!H=4R!H_Ext-1COS-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4R!H-R_N-Sp-8R!H=4R!H_Ext-1COS-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4R!H-R_N-Sp-8R!H=4R!H_Ext-1COS-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4R!H-R_N-Sp-8R!H=4R!H_Ext-1COS-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 375, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4R!H-R_Sp-8R!H=4R!H_Ext-1COS-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.0173142,'m^3/(mol*s)'), n=2.76903, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.167466797651132, var=0.034235975627910135, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4R!H-R_Sp-8R!H=4R!H_Ext-1COS-R_Ext-9R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4R!H-R_Sp-8R!H=4R!H_Ext-1COS-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 3.3042691151700936"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4R!H-R_Sp-8R!H=4R!H_Ext-1COS-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 3.3042691151700936""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4R!H-R_Sp-8R!H=4R!H_Ext-1COS-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 3.3042691151700936 +""", +) + +entry( + index = 376, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4R!H-R_N-Sp-8R!H=4R!H_Ext-1COS-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(141,'m^3/(mol*s)'), n=1.64, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4R!H-R_N-Sp-8R!H=4R!H_Ext-1COS-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4R!H-R_N-Sp-8R!H=4R!H_Ext-1COS-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4R!H-R_N-Sp-8R!H=4R!H_Ext-1COS-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4R!H-R_N-Sp-8R!H=4R!H_Ext-1COS-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 377, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_Sp-7R!H=4C_Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.00603239,'m^3/(mol*s)'), n=2.88583, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.288241754858276, var=0.03045667748141965, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_Sp-7R!H=4C_Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_Sp-7R!H=4C_Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 3.586651518756422"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_Sp-7R!H=4C_Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 3.586651518756422""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_Sp-7R!H=4C_Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 3.586651518756422 +""", +) + +entry( + index = 378, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_Sp-7R!H=4C_N-Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.00195045,'m^3/(mol*s)'), n=3.02209, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.4291406598037737, var=0.03423723451175573, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_Sp-7R!H=4C_N-Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_Sp-7R!H=4C_N-Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 3.9617479503609854"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_Sp-7R!H=4C_N-Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 3.9617479503609854""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_Sp-7R!H=4C_N-Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 3.9617479503609854 +""", +) + +entry( + index = 379, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_N-Sp-7R!H=4C_Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(126,'m^3/(mol*s)'), n=1.64, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_N-Sp-7R!H=4C_Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_N-Sp-7R!H=4C_Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_N-Sp-7R!H=4C_Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_N-Sp-7R!H=4C_Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 380, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_N-Sp-7R!H=4C_N-Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(122,'m^3/(mol*s)'), n=1.64, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_N-Sp-7R!H=4C_N-Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_N-Sp-7R!H=4C_N-Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_N-Sp-7R!H=4C_N-Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_N-Sp-7R!H=4C_N-Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 381, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4R!H-R_Sp-9R!H=4R!H_Ext-1COS-R_Ext-10R!H-R", + kinetics = ArrheniusBM(A=(0.242258,'m^3/(mol*s)'), n=2.43567, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.8227630088837872, var=0.03293247403073617, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4R!H-R_Sp-9R!H=4R!H_Ext-1COS-R_Ext-10R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4R!H-R_Sp-9R!H=4R!H_Ext-1COS-R_Ext-10R!H-R + Total Standard Deviation in ln(k): 2.431049163844789"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4R!H-R_Sp-9R!H=4R!H_Ext-1COS-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 2.431049163844789""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4R!H-R_Sp-9R!H=4R!H_Ext-1COS-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 2.431049163844789 +""", +) + +entry( + index = 382, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4R!H-R_N-Sp-9R!H=4R!H_Ext-1COS-R_Ext-10R!H-R", + kinetics = ArrheniusBM(A=(136,'m^3/(mol*s)'), n=1.64, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4R!H-R_N-Sp-9R!H=4R!H_Ext-1COS-R_Ext-10R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4R!H-R_N-Sp-9R!H=4R!H_Ext-1COS-R_Ext-10R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4R!H-R_N-Sp-9R!H=4R!H_Ext-1COS-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4R!H-R_N-Sp-9R!H=4R!H_Ext-1COS-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 383, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4R!H-R_Sp-9R!H=4R!H_Ext-1COS-R_Ext-10R!H-R", + kinetics = ArrheniusBM(A=(0.0470979,'m^3/(mol*s)'), n=2.49164, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.8806331899367753, var=0.03190946111845513, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4R!H-R_Sp-9R!H=4R!H_Ext-1COS-R_Ext-10R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4R!H-R_Sp-9R!H=4R!H_Ext-1COS-R_Ext-10R!H-R + Total Standard Deviation in ln(k): 2.5707564332964683"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4R!H-R_Sp-9R!H=4R!H_Ext-1COS-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 2.5707564332964683""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4R!H-R_Sp-9R!H=4R!H_Ext-1COS-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 2.5707564332964683 +""", +) + +entry( + index = 384, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4R!H-R_N-Sp-9R!H=4R!H_Ext-1COS-R_Ext-10R!H-R", + kinetics = ArrheniusBM(A=(41.4,'m^3/(mol*s)'), n=1.64, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4R!H-R_N-Sp-9R!H=4R!H_Ext-1COS-R_Ext-10R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4R!H-R_N-Sp-9R!H=4R!H_Ext-1COS-R_Ext-10R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4R!H-R_N-Sp-9R!H=4R!H_Ext-1COS-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4R!H-R_N-Sp-9R!H=4R!H_Ext-1COS-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 385, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4R!H-R_Sp-9R!H=4R!H_Ext-1COS-R_Ext-10R!H-R", + kinetics = ArrheniusBM(A=(0.0124,'m^3/(mol*s)'), n=2.79336, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.1926277459350396, var=0.030371822293903422, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4R!H-R_Sp-9R!H=4R!H_Ext-1COS-R_Ext-10R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4R!H-R_Sp-9R!H=4R!H_Ext-1COS-R_Ext-10R!H-R + Total Standard Deviation in ln(k): 3.345927599500543"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4R!H-R_Sp-9R!H=4R!H_Ext-1COS-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 3.345927599500543""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4R!H-R_Sp-9R!H=4R!H_Ext-1COS-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 3.345927599500543 +""", +) + +entry( + index = 386, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4R!H-R_N-Sp-9R!H=4R!H_Ext-1COS-R_Ext-10R!H-R", + kinetics = ArrheniusBM(A=(123,'m^3/(mol*s)'), n=1.64, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4R!H-R_N-Sp-9R!H=4R!H_Ext-1COS-R_Ext-10R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4R!H-R_N-Sp-9R!H=4R!H_Ext-1COS-R_Ext-10R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4R!H-R_N-Sp-9R!H=4R!H_Ext-1COS-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4R!H-R_N-Sp-9R!H=4R!H_Ext-1COS-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 387, + label = "Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_4R!H->O", + kinetics = ArrheniusBM(A=(0.001023,'m^3/(mol*s)'), n=2.607, w0=(289500,'J/mol'), E0=(74086.5,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_4R!H->O',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_4R!H->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_4R!H->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_4R!H->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 388, + label = "Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_N-4R!H->O", + kinetics = ArrheniusBM(A=(2.77071e-17,'m^3/(mol*s)'), n=6.54363, w0=(298125,'J/mol'), E0=(9768.16,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.13750941122785165, var=13.291702747973478, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_N-4R!H->O',), comment="""BM rule fitted to 4 training reactions at node Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_N-4R!H->O + Total Standard Deviation in ln(k): 7.65432159263169"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_N-4R!H->O +Total Standard Deviation in ln(k): 7.65432159263169""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_N-4R!H->O +Total Standard Deviation in ln(k): 7.65432159263169 +""", +) + +entry( + index = 389, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R", + kinetics = ArrheniusBM(A=(5.96184,'m^3/(mol*s)'), n=1.75598, w0=(299869,'J/mol'), E0=(73627.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.015238588474721726, var=2.1723211214243086, Tref=1000.0, N=264, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R',), comment="""BM rule fitted to 264 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R + Total Standard Deviation in ln(k): 2.9930260760873333"""), + rank = 11, + shortDesc = """BM rule fitted to 264 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R +Total Standard Deviation in ln(k): 2.9930260760873333""", + longDesc = +""" +BM rule fitted to 264 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R +Total Standard Deviation in ln(k): 2.9930260760873333 +""", +) + +entry( + index = 390, + label = "Root_N-3R-inRing_3R->C_3C-u1", + kinetics = ArrheniusBM(A=(0.000545564,'m^3/(mol*s)'), n=2.9087, w0=(305903,'J/mol'), E0=(47140.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.25454818154298486, var=2.5886247653895533, Tref=1000.0, N=36, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_3C-u1',), comment="""BM rule fitted to 36 training reactions at node Root_N-3R-inRing_3R->C_3C-u1 + Total Standard Deviation in ln(k): 3.8650274030332428"""), + rank = 11, + shortDesc = """BM rule fitted to 36 training reactions at node Root_N-3R-inRing_3R->C_3C-u1 +Total Standard Deviation in ln(k): 3.8650274030332428""", + longDesc = +""" +BM rule fitted to 36 training reactions at node Root_N-3R-inRing_3R->C_3C-u1 +Total Standard Deviation in ln(k): 3.8650274030332428 +""", +) + +entry( + index = 391, + label = "Root_N-3R-inRing_3R->C_N-3C-u1", + kinetics = ArrheniusBM(A=(1.6e+26,'m^3/(mol*s)'), n=-7.07, w0=(414500,'J/mol'), E0=(84796.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_N-3C-u1',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_N-3C-u1 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_N-3C-u1 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_N-3C-u1 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 392, + label = "Root_N-3R-inRing_N-3R->C_1R!H->N", + kinetics = ArrheniusBM(A=(9.99e+19,'m^3/(mol*s)'), n=-5.73, w0=(236500,'J/mol'), E0=(24789.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_N-3R->C_1R!H->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_1R!H->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_1R!H->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_1R!H->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 393, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N", + kinetics = ArrheniusBM(A=(160268,'m^3/(mol*s)'), n=0.1952, w0=(294583,'J/mol'), E0=(-7077.52,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.2923730283978763, var=19.44756115469339, Tref=1000.0, N=18, data_mean=0.0, correlation='Root_N-3R-inRing_N-3R->C_N-1R!H->N',), comment="""BM rule fitted to 18 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N + Total Standard Deviation in ln(k): 12.087927627092602"""), + rank = 11, + shortDesc = """BM rule fitted to 18 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N +Total Standard Deviation in ln(k): 12.087927627092602""", + longDesc = +""" +BM rule fitted to 18 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N +Total Standard Deviation in ln(k): 12.087927627092602 +""", +) + +entry( + index = 394, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_Sp-4R!H-1R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(5154.11,'m^3/(mol*s)'), n=1.29523, w0=(291500,'J/mol'), E0=(29150,'J/mol'), Tmin=(303.03,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_Sp-4R!H-1R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_Sp-4R!H-1R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_Sp-4R!H-1R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_Sp-4R!H-1R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 395, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_Sp-4R!H-1R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(81.1123,'m^3/(mol*s)'), n=1.60737, w0=(291500,'J/mol'), E0=(47857.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.9330640479588697e-15, var=14.030485079090646, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_Sp-4R!H-1R!H_4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_Sp-4R!H-1R!H_4R!H-inRing + Total Standard Deviation in ln(k): 7.5091941394656505"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_Sp-4R!H-1R!H_4R!H-inRing +Total Standard Deviation in ln(k): 7.5091941394656505""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_Sp-4R!H-1R!H_4R!H-inRing +Total Standard Deviation in ln(k): 7.5091941394656505 +""", +) + +entry( + index = 396, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_Sp-4R!H-1R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(4.25112e-08,'m^3/(mol*s)'), n=4.48214, w0=(291500,'J/mol'), E0=(11873.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12288169834331654, var=2.715088803125511, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_Sp-4R!H-1R!H_N-4R!H-inRing',), comment="""BM rule fitted to 5 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_Sp-4R!H-1R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 3.612055526700252"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_Sp-4R!H-1R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 3.612055526700252""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_Sp-4R!H-1R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 3.612055526700252 +""", +) + +entry( + index = 397, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_N-Sp-4R!H-1R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(93.3,'m^3/(mol*s)'), n=1.656, w0=(291500,'J/mol'), E0=(8820.22,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_N-Sp-4R!H-1R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_N-Sp-4R!H-1R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_N-Sp-4R!H-1R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_N-Sp-4R!H-1R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 398, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-4R!H-2COS_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Int-7R!H-6R!H_Ext-7R!H-R_Int-8R!H-2COS", + kinetics = ArrheniusBM(A=(0.000145798,'m^3/(mol*s)'), n=3.39314, w0=(291500,'J/mol'), E0=(27711.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.17504954667465578, var=0.2058697181214711, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-4R!H-2COS_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Int-7R!H-6R!H_Ext-7R!H-R_Int-8R!H-2COS',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-4R!H-2COS_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Int-7R!H-6R!H_Ext-7R!H-R_Int-8R!H-2COS + Total Standard Deviation in ln(k): 1.349428788785743"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-4R!H-2COS_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Int-7R!H-6R!H_Ext-7R!H-R_Int-8R!H-2COS +Total Standard Deviation in ln(k): 1.349428788785743""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-4R!H-2COS_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Int-7R!H-6R!H_Ext-7R!H-R_Int-8R!H-2COS +Total Standard Deviation in ln(k): 1.349428788785743 +""", +) + +entry( + index = 399, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-4R!H-2COS_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Int-7R!H-6R!H_Ext-7R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(984.923,'m^3/(mol*s)'), n=1.49476, w0=(291500,'J/mol'), E0=(53933.9,'J/mol'), Tmin=(303.03,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-4R!H-2COS_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Int-7R!H-6R!H_Ext-7R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-4R!H-2COS_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Int-7R!H-6R!H_Ext-7R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-4R!H-2COS_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Int-7R!H-6R!H_Ext-7R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-4R!H-2COS_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Int-7R!H-6R!H_Ext-7R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 400, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_Sp-5R!H-4R!H_Sp-2COS=1CCOOSS_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(61.7262,'m^3/(mol*s)'), n=1.64189, w0=(333500,'J/mol'), E0=(25671.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2631120965755397, var=2.1559049635246144, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_Sp-5R!H-4R!H_Sp-2COS=1CCOOSS_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_Sp-5R!H-4R!H_Sp-2COS=1CCOOSS_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 3.6046382341188017"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_Sp-5R!H-4R!H_Sp-2COS=1CCOOSS_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 3.6046382341188017""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_Sp-5R!H-4R!H_Sp-2COS=1CCOOSS_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 3.6046382341188017 +""", +) + +entry( + index = 401, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Int-7R!H-6R!H_Sp-7R!H-6R!H", + kinetics = ArrheniusBM(A=(11.3948,'m^3/(mol*s)'), n=1.76195, w0=(333500,'J/mol'), E0=(41154.9,'J/mol'), Tmin=(303.03,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Int-7R!H-6R!H_Sp-7R!H-6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Int-7R!H-6R!H_Sp-7R!H-6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Int-7R!H-6R!H_Sp-7R!H-6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Int-7R!H-6R!H_Sp-7R!H-6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 402, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Int-7R!H-6R!H_N-Sp-7R!H-6R!H", + kinetics = ArrheniusBM(A=(0.000176115,'m^3/(mol*s)'), n=3.37085, w0=(333500,'J/mol'), E0=(27724.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.819251595017904, var=0.5111362594590645, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Int-7R!H-6R!H_N-Sp-7R!H-6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Int-7R!H-6R!H_N-Sp-7R!H-6R!H + Total Standard Deviation in ln(k): 3.4916822614612446"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Int-7R!H-6R!H_N-Sp-7R!H-6R!H +Total Standard Deviation in ln(k): 3.4916822614612446""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Int-7R!H-6R!H_N-Sp-7R!H-6R!H +Total Standard Deviation in ln(k): 3.4916822614612446 +""", +) + +entry( + index = 403, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(44.7669,'m^3/(mol*s)'), n=1.44837, w0=(322000,'J/mol'), E0=(86468.1,'J/mol'), Tmin=(303.03,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 404, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(1.97334e+06,'m^3/(mol*s)'), n=0.50758, w0=(330500,'J/mol'), E0=(79350.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.061078057200919765, var=4.316412483128571, Tref=1000.0, N=23, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 23 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 4.31849557631236"""), + rank = 11, + shortDesc = """BM rule fitted to 23 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 4.31849557631236""", + longDesc = +""" +BM rule fitted to 23 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 4.31849557631236 +""", +) + +entry( + index = 405, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_Ext-1COS-R_Ext-4R!H-R_Sp-7R!H#4R!H", + kinetics = ArrheniusBM(A=(1.72081e-07,'m^3/(mol*s)'), n=4.00188, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.22380276940411173, var=0.08594439405593902, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_Ext-1COS-R_Ext-4R!H-R_Sp-7R!H#4R!H',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_Ext-1COS-R_Ext-4R!H-R_Sp-7R!H#4R!H + Total Standard Deviation in ln(k): 1.150032150958248"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_Ext-1COS-R_Ext-4R!H-R_Sp-7R!H#4R!H +Total Standard Deviation in ln(k): 1.150032150958248""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_Ext-1COS-R_Ext-4R!H-R_Sp-7R!H#4R!H +Total Standard Deviation in ln(k): 1.150032150958248 +""", +) + +entry( + index = 406, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_Ext-1COS-R_Ext-4R!H-R_N-Sp-7R!H#4R!H", + kinetics = ArrheniusBM(A=(4.64873e-06,'m^3/(mol*s)'), n=3.5939, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=2.0204229444756088, var=0.021927950792406108, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_Ext-1COS-R_Ext-4R!H-R_N-Sp-7R!H#4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_Ext-1COS-R_Ext-4R!H-R_N-Sp-7R!H#4R!H + Total Standard Deviation in ln(k): 5.373302518936297"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_Ext-1COS-R_Ext-4R!H-R_N-Sp-7R!H#4R!H +Total Standard Deviation in ln(k): 5.373302518936297""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_Ext-1COS-R_Ext-4R!H-R_N-Sp-7R!H#4R!H +Total Standard Deviation in ln(k): 5.373302518936297 +""", +) + +entry( + index = 407, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_Sp-4R!H-1COS_Ext-4R!H-R_Sp-6R!H=4R!H", + kinetics = ArrheniusBM(A=(42,'m^3/(mol*s)'), n=1.64, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_Sp-4R!H-1COS_Ext-4R!H-R_Sp-6R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_Sp-4R!H-1COS_Ext-4R!H-R_Sp-6R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_Sp-4R!H-1COS_Ext-4R!H-R_Sp-6R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_Sp-4R!H-1COS_Ext-4R!H-R_Sp-6R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 408, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_Sp-4R!H-1COS_Ext-4R!H-R_N-Sp-6R!H=4R!H", + kinetics = ArrheniusBM(A=(8.57773,'m^3/(mol*s)'), n=1.98166, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.859544205568688, var=8.282315560522752, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_Sp-4R!H-1COS_Ext-4R!H-R_N-Sp-6R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_Sp-4R!H-1COS_Ext-4R!H-R_N-Sp-6R!H=4R!H + Total Standard Deviation in ln(k): 7.929088377708142"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_Sp-4R!H-1COS_Ext-4R!H-R_N-Sp-6R!H=4R!H +Total Standard Deviation in ln(k): 7.929088377708142""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_Sp-4R!H-1COS_Ext-4R!H-R_N-Sp-6R!H=4R!H +Total Standard Deviation in ln(k): 7.929088377708142 +""", +) + +entry( + index = 409, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_6R!H-inRing_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(1.3513e-05,'m^3/(mol*s)'), n=3.59439, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.18519063414711534, var=0.12245699141858682, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_6R!H-inRing_Ext-4R!H-R',), comment="""BM rule fitted to 5 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_6R!H-inRing_Ext-4R!H-R + Total Standard Deviation in ln(k): 1.166837194558749"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_6R!H-inRing_Ext-4R!H-R +Total Standard Deviation in ln(k): 1.166837194558749""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_6R!H-inRing_Ext-4R!H-R +Total Standard Deviation in ln(k): 1.166837194558749 +""", +) + +entry( + index = 410, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_N-6R!H-inRing_7R!H-inRing", + kinetics = ArrheniusBM(A=(83.7,'m^3/(mol*s)'), n=1.64, w0=(333500,'J/mol'), E0=(61138,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_N-6R!H-inRing_7R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_N-6R!H-inRing_7R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_N-6R!H-inRing_7R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_N-6R!H-inRing_7R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 411, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing", + kinetics = ArrheniusBM(A=(0.355696,'m^3/(mol*s)'), n=2.36097, w0=(333500,'J/mol'), E0=(44694.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03233526303541434, var=0.13629841831456158, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing',), comment="""BM rule fitted to 6 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing + Total Standard Deviation in ln(k): 0.8213648179532592"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing +Total Standard Deviation in ln(k): 0.8213648179532592""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing +Total Standard Deviation in ln(k): 0.8213648179532592 +""", +) + +entry( + index = 412, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_6R!H-inRing_Ext-4R!H-R_Sp-7R!H=4R!H", + kinetics = ArrheniusBM(A=(124,'m^3/(mol*s)'), n=1.64, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_6R!H-inRing_Ext-4R!H-R_Sp-7R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_6R!H-inRing_Ext-4R!H-R_Sp-7R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_6R!H-inRing_Ext-4R!H-R_Sp-7R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_6R!H-inRing_Ext-4R!H-R_Sp-7R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 413, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_6R!H-inRing_Ext-4R!H-R_N-Sp-7R!H=4R!H", + kinetics = ArrheniusBM(A=(114,'m^3/(mol*s)'), n=1.64, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_6R!H-inRing_Ext-4R!H-R_N-Sp-7R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_6R!H-inRing_Ext-4R!H-R_N-Sp-7R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_6R!H-inRing_Ext-4R!H-R_N-Sp-7R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_6R!H-inRing_Ext-4R!H-R_N-Sp-7R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 414, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_N-6R!H-inRing_Ext-4R!H-R_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(306600,'m^3/(mol*s)'), n=0.481, w0=(333500,'J/mol'), E0=(33350,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_N-6R!H-inRing_Ext-4R!H-R_Ext-4R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_N-6R!H-inRing_Ext-4R!H-R_Ext-4R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_N-6R!H-inRing_Ext-4R!H-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_N-6R!H-inRing_Ext-4R!H-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 415, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_N-6R!H-inRing_Ext-4R!H-R_Sp-7R!H=4R!H", + kinetics = ArrheniusBM(A=(202,'m^3/(mol*s)'), n=1.64, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_N-6R!H-inRing_Ext-4R!H-R_Sp-7R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_N-6R!H-inRing_Ext-4R!H-R_Sp-7R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_N-6R!H-inRing_Ext-4R!H-R_Sp-7R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_N-6R!H-inRing_Ext-4R!H-R_Sp-7R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 416, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_N-6R!H-inRing_Ext-4R!H-R_N-Sp-7R!H=4R!H", + kinetics = ArrheniusBM(A=(185,'m^3/(mol*s)'), n=1.64, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_N-6R!H-inRing_Ext-4R!H-R_N-Sp-7R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_N-6R!H-inRing_Ext-4R!H-R_N-Sp-7R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_N-6R!H-inRing_Ext-4R!H-R_N-Sp-7R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_N-6R!H-inRing_Ext-4R!H-R_N-Sp-7R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 417, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-2C-R_Ext-4C-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(8.215e+06,'m^3/(mol*s)'), n=0.201, w0=(333500,'J/mol'), E0=(33350,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-2C-R_Ext-4C-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-2C-R_Ext-4C-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-2C-R_Ext-4C-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_N-2COS->O_N-1COS->O_Sp-2CS=1CCSS_2CS->C_Ext-2C-R_Sp-4R!H-2C_N-4R!H->O_N-4C-inRing_Ext-2C-R_Ext-4C-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 418, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C_Ext-1COS-R_N-6R!H-inRing_Ext-4C-R", + kinetics = ArrheniusBM(A=(0.310239,'m^3/(mol*s)'), n=2.36615, w0=(333500,'J/mol'), E0=(49016.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03167618863086243, var=0.18251340402409125, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C_Ext-1COS-R_N-6R!H-inRing_Ext-4C-R',), comment="""BM rule fitted to 5 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C_Ext-1COS-R_N-6R!H-inRing_Ext-4C-R + Total Standard Deviation in ln(k): 0.936043064281248"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C_Ext-1COS-R_N-6R!H-inRing_Ext-4C-R +Total Standard Deviation in ln(k): 0.936043064281248""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C_Ext-1COS-R_N-6R!H-inRing_Ext-4C-R +Total Standard Deviation in ln(k): 0.936043064281248 +""", +) + +entry( + index = 419, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C_Ext-4C-R_N-Sp-6R!H=4C_Ext-4C-R", + kinetics = ArrheniusBM(A=(8892,'m^3/(mol*s)'), n=1.073, w0=(333500,'J/mol'), E0=(33350,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C_Ext-4C-R_N-Sp-6R!H=4C_Ext-4C-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C_Ext-4C-R_N-Sp-6R!H=4C_Ext-4C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C_Ext-4C-R_N-Sp-6R!H=4C_Ext-4C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C_Ext-4C-R_N-Sp-6R!H=4C_Ext-4C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 420, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS_Sp-4R!H-1COS_Ext-4R!H-R_Sp-6R!H=4R!H_Ext-1COS-R_Ext-7R!H-R_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(122,'m^3/(mol*s)'), n=1.64, w0=(333500,'J/mol'), E0=(62584.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS_Sp-4R!H-1COS_Ext-4R!H-R_Sp-6R!H=4R!H_Ext-1COS-R_Ext-7R!H-R_Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS_Sp-4R!H-1COS_Ext-4R!H-R_Sp-6R!H=4R!H_Ext-1COS-R_Ext-7R!H-R_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS_Sp-4R!H-1COS_Ext-4R!H-R_Sp-6R!H=4R!H_Ext-1COS-R_Ext-7R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS_Sp-4R!H-1COS_Ext-4R!H-R_Sp-6R!H=4R!H_Ext-1COS-R_Ext-7R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 421, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS_Sp-4R!H-1COS_Ext-4R!H-R_Sp-6R!H=4R!H_Ext-1COS-R_Ext-7R!H-R_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(123,'m^3/(mol*s)'), n=1.64, w0=(333500,'J/mol'), E0=(61670.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS_Sp-4R!H-1COS_Ext-4R!H-R_Sp-6R!H=4R!H_Ext-1COS-R_Ext-7R!H-R_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS_Sp-4R!H-1COS_Ext-4R!H-R_Sp-6R!H=4R!H_Ext-1COS-R_Ext-7R!H-R_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS_Sp-4R!H-1COS_Ext-4R!H-R_Sp-6R!H=4R!H_Ext-1COS-R_Ext-7R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_N-Sp-5R!H-2COS_Sp-4R!H-1COS_Ext-4R!H-R_Sp-6R!H=4R!H_Ext-1COS-R_Ext-7R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 422, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_Sp-2CS=1CCOSS_Sp-5R!H=4COS_Ext-1COS-R_Ext-6R!H-R_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(135,'m^3/(mol*s)'), n=1.64, w0=(333500,'J/mol'), E0=(61172,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_Sp-2CS=1CCOSS_Sp-5R!H=4COS_Ext-1COS-R_Ext-6R!H-R_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_Sp-2CS=1CCOSS_Sp-5R!H=4COS_Ext-1COS-R_Ext-6R!H-R_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_Sp-2CS=1CCOSS_Sp-5R!H=4COS_Ext-1COS-R_Ext-6R!H-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_Sp-2CS=1CCOSS_Sp-5R!H=4COS_Ext-1COS-R_Ext-6R!H-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 423, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_Sp-2CS=1CCOSS_Sp-5R!H=4COS_Ext-1COS-R_Ext-6R!H-R_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(136,'m^3/(mol*s)'), n=1.64, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_Sp-2CS=1CCOSS_Sp-5R!H=4COS_Ext-1COS-R_Ext-6R!H-R_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_Sp-2CS=1CCOSS_Sp-5R!H=4COS_Ext-1COS-R_Ext-6R!H-R_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_Sp-2CS=1CCOSS_Sp-5R!H=4COS_Ext-1COS-R_Ext-6R!H-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_Sp-2CS=1CCOSS_Sp-5R!H=4COS_Ext-1COS-R_Ext-6R!H-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 424, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_Sp-2CS=1CCOSS_N-Sp-5R!H=4COS_Ext-1COS-R_N-6R!H-inRing_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(127,'m^3/(mol*s)'), n=1.64, w0=(333500,'J/mol'), E0=(67529,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_Sp-2CS=1CCOSS_N-Sp-5R!H=4COS_Ext-1COS-R_N-6R!H-inRing_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_Sp-2CS=1CCOSS_N-Sp-5R!H=4COS_Ext-1COS-R_N-6R!H-inRing_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_Sp-2CS=1CCOSS_N-Sp-5R!H=4COS_Ext-1COS-R_N-6R!H-inRing_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-2COS->O_N-4R!H->N_Ext-4COS-R_N-Sp-5R!H-4COS_Sp-4COS-1CCOOSS_Sp-2CS=1CCOSS_N-Sp-5R!H=4COS_Ext-1COS-R_N-6R!H-inRing_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 425, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4R!H-R_Sp-8R!H=4R!H_Ext-1COS-R_Ext-9R!H-R_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(149,'m^3/(mol*s)'), n=1.64, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4R!H-R_Sp-8R!H=4R!H_Ext-1COS-R_Ext-9R!H-R_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4R!H-R_Sp-8R!H=4R!H_Ext-1COS-R_Ext-9R!H-R_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4R!H-R_Sp-8R!H=4R!H_Ext-1COS-R_Ext-9R!H-R_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4R!H-R_Sp-8R!H=4R!H_Ext-1COS-R_Ext-9R!H-R_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 426, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4R!H-R_Sp-8R!H=4R!H_Ext-1COS-R_Ext-9R!H-R_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(150,'m^3/(mol*s)'), n=1.64, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4R!H-R_Sp-8R!H=4R!H_Ext-1COS-R_Ext-9R!H-R_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4R!H-R_Sp-8R!H=4R!H_Ext-1COS-R_Ext-9R!H-R_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4R!H-R_Sp-8R!H=4R!H_Ext-1COS-R_Ext-9R!H-R_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4R!H-R_Sp-8R!H=4R!H_Ext-1COS-R_Ext-9R!H-R_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 427, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4R!H-R_Sp-8R!H=4R!H_Ext-1COS-R_Ext-9R!H-R_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(151,'m^3/(mol*s)'), n=1.64, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4R!H-R_Sp-8R!H=4R!H_Ext-1COS-R_Ext-9R!H-R_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4R!H-R_Sp-8R!H=4R!H_Ext-1COS-R_Ext-9R!H-R_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4R!H-R_Sp-8R!H=4R!H_Ext-1COS-R_Ext-9R!H-R_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4R!H-R_Sp-8R!H=4R!H_Ext-1COS-R_Ext-9R!H-R_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 428, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4R!H-R_Sp-8R!H=4R!H_Ext-1COS-R_Ext-9R!H-R_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(151,'m^3/(mol*s)'), n=1.64, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4R!H-R_Sp-8R!H=4R!H_Ext-1COS-R_Ext-9R!H-R_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4R!H-R_Sp-8R!H=4R!H_Ext-1COS-R_Ext-9R!H-R_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4R!H-R_Sp-8R!H=4R!H_Ext-1COS-R_Ext-9R!H-R_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4R!H-R_Sp-8R!H=4R!H_Ext-1COS-R_Ext-9R!H-R_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 429, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_Sp-7R!H=4C_Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(134,'m^3/(mol*s)'), n=1.64, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_Sp-7R!H=4C_Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R_Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_Sp-7R!H=4C_Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_Sp-7R!H=4C_Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_Sp-7R!H=4C_Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 430, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_Sp-7R!H=4C_Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(135,'m^3/(mol*s)'), n=1.64, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_Sp-7R!H=4C_Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_Sp-7R!H=4C_Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_Sp-7R!H=4C_Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_Sp-7R!H=4C_Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 431, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_Sp-7R!H=4C_N-Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(130,'m^3/(mol*s)'), n=1.64, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_Sp-7R!H=4C_N-Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R_Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_Sp-7R!H=4C_N-Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_Sp-7R!H=4C_N-Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_Sp-7R!H=4C_N-Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 432, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_Sp-7R!H=4C_N-Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(130,'m^3/(mol*s)'), n=1.64, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_Sp-7R!H=4C_N-Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_Sp-7R!H=4C_N-Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_Sp-7R!H=4C_N-Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Ext-5R!H-R_Ext-4C-R_Sp-7R!H=4C_N-Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 433, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4R!H-R_Sp-9R!H=4R!H_Ext-1COS-R_Ext-10R!H-R_Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(145,'m^3/(mol*s)'), n=1.64, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4R!H-R_Sp-9R!H=4R!H_Ext-1COS-R_Ext-10R!H-R_Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4R!H-R_Sp-9R!H=4R!H_Ext-1COS-R_Ext-10R!H-R_Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4R!H-R_Sp-9R!H=4R!H_Ext-1COS-R_Ext-10R!H-R_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4R!H-R_Sp-9R!H=4R!H_Ext-1COS-R_Ext-10R!H-R_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 434, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4R!H-R_Sp-9R!H=4R!H_Ext-1COS-R_Ext-10R!H-R_N-Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(145,'m^3/(mol*s)'), n=1.64, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4R!H-R_Sp-9R!H=4R!H_Ext-1COS-R_Ext-10R!H-R_N-Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4R!H-R_Sp-9R!H=4R!H_Ext-1COS-R_Ext-10R!H-R_N-Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4R!H-R_Sp-9R!H=4R!H_Ext-1COS-R_Ext-10R!H-R_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4R!H-R_Sp-9R!H=4R!H_Ext-1COS-R_Ext-10R!H-R_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 435, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4R!H-R_Sp-9R!H=4R!H_Ext-1COS-R_Ext-10R!H-R_Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(44.1,'m^3/(mol*s)'), n=1.64, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4R!H-R_Sp-9R!H=4R!H_Ext-1COS-R_Ext-10R!H-R_Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4R!H-R_Sp-9R!H=4R!H_Ext-1COS-R_Ext-10R!H-R_Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4R!H-R_Sp-9R!H=4R!H_Ext-1COS-R_Ext-10R!H-R_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4R!H-R_Sp-9R!H=4R!H_Ext-1COS-R_Ext-10R!H-R_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 436, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4R!H-R_Sp-9R!H=4R!H_Ext-1COS-R_Ext-10R!H-R_N-Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(44.3,'m^3/(mol*s)'), n=1.64, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4R!H-R_Sp-9R!H=4R!H_Ext-1COS-R_Ext-10R!H-R_N-Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4R!H-R_Sp-9R!H=4R!H_Ext-1COS-R_Ext-10R!H-R_N-Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4R!H-R_Sp-9R!H=4R!H_Ext-1COS-R_Ext-10R!H-R_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4R!H-R_Sp-9R!H=4R!H_Ext-1COS-R_Ext-10R!H-R_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 437, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4R!H-R_Sp-9R!H=4R!H_Ext-1COS-R_Ext-10R!H-R_Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(131,'m^3/(mol*s)'), n=1.64, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4R!H-R_Sp-9R!H=4R!H_Ext-1COS-R_Ext-10R!H-R_Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4R!H-R_Sp-9R!H=4R!H_Ext-1COS-R_Ext-10R!H-R_Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4R!H-R_Sp-9R!H=4R!H_Ext-1COS-R_Ext-10R!H-R_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4R!H-R_Sp-9R!H=4R!H_Ext-1COS-R_Ext-10R!H-R_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 438, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4R!H-R_Sp-9R!H=4R!H_Ext-1COS-R_Ext-10R!H-R_N-Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(132,'m^3/(mol*s)'), n=1.64, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4R!H-R_Sp-9R!H=4R!H_Ext-1COS-R_Ext-10R!H-R_N-Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4R!H-R_Sp-9R!H=4R!H_Ext-1COS-R_Ext-10R!H-R_N-Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4R!H-R_Sp-9R!H=4R!H_Ext-1COS-R_Ext-10R!H-R_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4R!H-R_Sp-9R!H=4R!H_Ext-1COS-R_Ext-10R!H-R_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 439, + label = "Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_N-4R!H->O_1R!H-inRing", + kinetics = ArrheniusBM(A=(5.04287e-07,'m^3/(mol*s)'), n=3.36622, w0=(301000,'J/mol'), E0=(42055,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.016602976165460057, var=0.10870085834828848, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_N-4R!H->O_1R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_N-4R!H->O_1R!H-inRing + Total Standard Deviation in ln(k): 0.7026734310041368"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_N-4R!H->O_1R!H-inRing +Total Standard Deviation in ln(k): 0.7026734310041368""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_N-4R!H->O_1R!H-inRing +Total Standard Deviation in ln(k): 0.7026734310041368 +""", +) + +entry( + index = 440, + label = "Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_N-4R!H->O_N-1R!H-inRing", + kinetics = ArrheniusBM(A=(1.62447e-07,'m^3/(mol*s)'), n=3.93232, w0=(295250,'J/mol'), E0=(44355.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=2.5511602855231157, var=60.58959538418018, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_N-4R!H->O_N-1R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_N-4R!H->O_N-1R!H-inRing + Total Standard Deviation in ln(k): 22.014671729499234"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_N-4R!H->O_N-1R!H-inRing +Total Standard Deviation in ln(k): 22.014671729499234""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_N-4R!H->O_N-1R!H-inRing +Total Standard Deviation in ln(k): 22.014671729499234 +""", +) + +entry( + index = 441, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-2R!H", + kinetics = ArrheniusBM(A=(1.63047e-06,'m^3/(mol*s)'), n=3.43715, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=2.3843745979123487, var=8.231078336216854, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-2R!H',), comment="""BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-2R!H + Total Standard Deviation in ln(k): 11.742447005533286"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-2R!H +Total Standard Deviation in ln(k): 11.742447005533286""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-2R!H +Total Standard Deviation in ln(k): 11.742447005533286 +""", +) + +entry( + index = 442, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C", + kinetics = ArrheniusBM(A=(0.000374854,'m^3/(mol*s)'), n=2.88148, w0=(312440,'J/mol'), E0=(84455.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.27802304382694504, var=21.423324697666267, Tref=1000.0, N=25, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C',), comment="""BM rule fitted to 25 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C + Total Standard Deviation in ln(k): 9.977534331834537"""), + rank = 11, + shortDesc = """BM rule fitted to 25 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C +Total Standard Deviation in ln(k): 9.977534331834537""", + longDesc = +""" +BM rule fitted to 25 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C +Total Standard Deviation in ln(k): 9.977534331834537 +""", +) + +entry( + index = 443, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_2R!H->N", + kinetics = ArrheniusBM(A=(2.8e+24,'m^3/(mol*s)'), n=-6.37, w0=(315000,'J/mol'), E0=(62531.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_N-3R->C_N-1R!H->N_2R!H->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_2R!H->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_2R!H->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_2R!H->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 444, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N", + kinetics = ArrheniusBM(A=(2643.4,'m^3/(mol*s)'), n=1.01403, w0=(293382,'J/mol'), E0=(23686.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.444717438676355, var=3.884146536100446, Tref=1000.0, N=17, data_mean=0.0, correlation='Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N',), comment="""BM rule fitted to 17 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N + Total Standard Deviation in ln(k): 5.068360145872214"""), + rank = 11, + shortDesc = """BM rule fitted to 17 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N +Total Standard Deviation in ln(k): 5.068360145872214""", + longDesc = +""" +BM rule fitted to 17 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N +Total Standard Deviation in ln(k): 5.068360145872214 +""", +) + +entry( + index = 445, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-4R!H-2COS_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Int-7R!H-6R!H_Ext-7R!H-R_Int-8R!H-2COS_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.000559238,'m^3/(mol*s)'), n=3.21657, w0=(291500,'J/mol'), E0=(23937.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.7315764608985393, var=0.41364652017411113, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-4R!H-2COS_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Int-7R!H-6R!H_Ext-7R!H-R_Int-8R!H-2COS_Ext-5R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-4R!H-2COS_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Int-7R!H-6R!H_Ext-7R!H-R_Int-8R!H-2COS_Ext-5R!H-R + Total Standard Deviation in ln(k): 5.640047155985004"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-4R!H-2COS_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Int-7R!H-6R!H_Ext-7R!H-R_Int-8R!H-2COS_Ext-5R!H-R +Total Standard Deviation in ln(k): 5.640047155985004""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-4R!H-2COS_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Int-7R!H-6R!H_Ext-7R!H-R_Int-8R!H-2COS_Ext-5R!H-R +Total Standard Deviation in ln(k): 5.640047155985004 +""", +) + +entry( + index = 446, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_Sp-5R!H-4R!H_Sp-2COS=1CCOOSS_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_1COS-inRing", + kinetics = ArrheniusBM(A=(954.864,'m^3/(mol*s)'), n=1.14583, w0=(333500,'J/mol'), E0=(30303.6,'J/mol'), Tmin=(303.03,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_Sp-5R!H-4R!H_Sp-2COS=1CCOOSS_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_1COS-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_Sp-5R!H-4R!H_Sp-2COS=1CCOOSS_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_1COS-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_Sp-5R!H-4R!H_Sp-2COS=1CCOOSS_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_1COS-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_Sp-5R!H-4R!H_Sp-2COS=1CCOOSS_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_1COS-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 447, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_Sp-5R!H-4R!H_Sp-2COS=1CCOOSS_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_N-1COS-inRing", + kinetics = ArrheniusBM(A=(301,'m^3/(mol*s)'), n=1.6, w0=(333500,'J/mol'), E0=(33350,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_Sp-5R!H-4R!H_Sp-2COS=1CCOOSS_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_N-1COS-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_Sp-5R!H-4R!H_Sp-2COS=1CCOOSS_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_N-1COS-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_Sp-5R!H-4R!H_Sp-2COS=1CCOOSS_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_N-1COS-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_Sp-5R!H-4R!H_Sp-2COS=1CCOOSS_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_N-1COS-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 448, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Int-7R!H-6R!H_N-Sp-7R!H-6R!H_Ext-1COS-R", + kinetics = ArrheniusBM(A=(62.4766,'m^3/(mol*s)'), n=1.80054, w0=(333500,'J/mol'), E0=(56383.1,'J/mol'), Tmin=(303.03,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Int-7R!H-6R!H_N-Sp-7R!H-6R!H_Ext-1COS-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Int-7R!H-6R!H_N-Sp-7R!H-6R!H_Ext-1COS-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Int-7R!H-6R!H_N-Sp-7R!H-6R!H_Ext-1COS-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Int-7R!H-6R!H_N-Sp-7R!H-6R!H_Ext-1COS-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 449, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R", + kinetics = ArrheniusBM(A=(5.29171e+07,'m^3/(mol*s)'), n=0.112696, w0=(332222,'J/mol'), E0=(77071.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.018706209398112662, var=5.8778956779618055, Tref=1000.0, N=18, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R',), comment="""BM rule fitted to 18 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R + Total Standard Deviation in ln(k): 4.907354799602085"""), + rank = 11, + shortDesc = """BM rule fitted to 18 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R +Total Standard Deviation in ln(k): 4.907354799602085""", + longDesc = +""" +BM rule fitted to 18 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R +Total Standard Deviation in ln(k): 4.907354799602085 +""", +) + +entry( + index = 450, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Sp-2COS=1CCOOSS", + kinetics = ArrheniusBM(A=(47,'m^3/(mol*s)'), n=1.64, w0=(333500,'J/mol'), E0=(67098.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Sp-2COS=1CCOOSS',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Sp-2COS=1CCOOSS + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Sp-2COS=1CCOOSS +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Sp-2COS=1CCOOSS +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 451, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_N-Sp-2COS=1CCOOSS", + kinetics = ArrheniusBM(A=(1.67487e-08,'m^3/(mol*s)'), n=4.53307, w0=(322000,'J/mol'), E0=(32200,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2978700596143577, var=0.5943954284057755, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_N-Sp-2COS=1CCOOSS',), comment="""BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_N-Sp-2COS=1CCOOSS + Total Standard Deviation in ln(k): 2.294008731682764"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_N-Sp-2COS=1CCOOSS +Total Standard Deviation in ln(k): 2.294008731682764""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_N-Sp-2COS=1CCOOSS +Total Standard Deviation in ln(k): 2.294008731682764 +""", +) + +entry( + index = 452, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_Ext-1COS-R_Ext-4R!H-R_Sp-7R!H#4R!H_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(6.18968e-08,'m^3/(mol*s)'), n=4.14382, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=2.589063983858506, var=0.09350616861076394, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_Ext-1COS-R_Ext-4R!H-R_Sp-7R!H#4R!H_Ext-6R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_Ext-1COS-R_Ext-4R!H-R_Sp-7R!H#4R!H_Ext-6R!H-R + Total Standard Deviation in ln(k): 7.118209385151811"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_Ext-1COS-R_Ext-4R!H-R_Sp-7R!H#4R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 7.118209385151811""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_Ext-1COS-R_Ext-4R!H-R_Sp-7R!H#4R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 7.118209385151811 +""", +) + +entry( + index = 453, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_Ext-1COS-R_Ext-4R!H-R_N-Sp-7R!H#4R!H_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(35,'m^3/(mol*s)'), n=1.64, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_Ext-1COS-R_Ext-4R!H-R_N-Sp-7R!H#4R!H_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_Ext-1COS-R_Ext-4R!H-R_N-Sp-7R!H#4R!H_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_Ext-1COS-R_Ext-4R!H-R_N-Sp-7R!H#4R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_Ext-1COS-R_Ext-4R!H-R_N-Sp-7R!H#4R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 454, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_6R!H-inRing_Ext-4R!H-R_Sp-8R!H#4R!H", + kinetics = ArrheniusBM(A=(3.63867e-06,'m^3/(mol*s)'), n=3.75694, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.20059262241570167, var=0.08889682607600118, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_6R!H-inRing_Ext-4R!H-R_Sp-8R!H#4R!H',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_6R!H-inRing_Ext-4R!H-R_Sp-8R!H#4R!H + Total Standard Deviation in ln(k): 1.1017247697509172"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_6R!H-inRing_Ext-4R!H-R_Sp-8R!H#4R!H +Total Standard Deviation in ln(k): 1.1017247697509172""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_6R!H-inRing_Ext-4R!H-R_Sp-8R!H#4R!H +Total Standard Deviation in ln(k): 1.1017247697509172 +""", +) + +entry( + index = 455, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_6R!H-inRing_Ext-4R!H-R_N-Sp-8R!H#4R!H", + kinetics = ArrheniusBM(A=(9.67092e-05,'m^3/(mol*s)'), n=3.35058, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.7688134616365296, var=0.021731920985455466, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_6R!H-inRing_Ext-4R!H-R_N-Sp-8R!H#4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_6R!H-inRing_Ext-4R!H-R_N-Sp-8R!H#4R!H + Total Standard Deviation in ln(k): 4.739787973424532"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_6R!H-inRing_Ext-4R!H-R_N-Sp-8R!H#4R!H +Total Standard Deviation in ln(k): 4.739787973424532""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_6R!H-inRing_Ext-4R!H-R_N-Sp-8R!H#4R!H +Total Standard Deviation in ln(k): 4.739787973424532 +""", +) + +entry( + index = 456, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(0.111093,'m^3/(mol*s)'), n=2.51575, w0=(333500,'J/mol'), E0=(43697.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03799307031221811, var=0.17488991422294428, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing_Ext-4R!H-R',), comment="""BM rule fitted to 5 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing_Ext-4R!H-R + Total Standard Deviation in ln(k): 0.9338370073148733"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing_Ext-4R!H-R +Total Standard Deviation in ln(k): 0.9338370073148733""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing_Ext-4R!H-R +Total Standard Deviation in ln(k): 0.9338370073148733 +""", +) + +entry( + index = 457, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C_Ext-1COS-R_N-6R!H-inRing_Ext-4C-R_Sp-7R!H#4C", + kinetics = ArrheniusBM(A=(3.80505,'m^3/(mol*s)'), n=2.05123, w0=(333500,'J/mol'), E0=(56158.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.004849769417023689, var=0.032834021982597855, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C_Ext-1COS-R_N-6R!H-inRing_Ext-4C-R_Sp-7R!H#4C',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C_Ext-1COS-R_N-6R!H-inRing_Ext-4C-R_Sp-7R!H#4C + Total Standard Deviation in ln(k): 0.37544656573219054"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C_Ext-1COS-R_N-6R!H-inRing_Ext-4C-R_Sp-7R!H#4C +Total Standard Deviation in ln(k): 0.37544656573219054""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C_Ext-1COS-R_N-6R!H-inRing_Ext-4C-R_Sp-7R!H#4C +Total Standard Deviation in ln(k): 0.37544656573219054 +""", +) + +entry( + index = 458, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C_Ext-1COS-R_N-6R!H-inRing_Ext-4C-R_N-Sp-7R!H#4C", + kinetics = ArrheniusBM(A=(20.467,'m^3/(mol*s)'), n=1.84099, w0=(333500,'J/mol'), E0=(51208.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0011051547127998254, var=0.0007514364016832995, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C_Ext-1COS-R_N-6R!H-inRing_Ext-4C-R_N-Sp-7R!H#4C',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C_Ext-1COS-R_N-6R!H-inRing_Ext-4C-R_N-Sp-7R!H#4C + Total Standard Deviation in ln(k): 0.05773125082316473"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C_Ext-1COS-R_N-6R!H-inRing_Ext-4C-R_N-Sp-7R!H#4C +Total Standard Deviation in ln(k): 0.05773125082316473""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C_Ext-1COS-R_N-6R!H-inRing_Ext-4C-R_N-Sp-7R!H#4C +Total Standard Deviation in ln(k): 0.05773125082316473 +""", +) + +entry( + index = 459, + label = "Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_N-4R!H->O_1R!H-inRing_Ext-4C-R_Ext-5R!H-R_Ext-5R!H-R_Ext-5R!H-R_Ext-5R!H-R_Sp-6R!H-5R!H", + kinetics = ArrheniusBM(A=(2.88e-05,'m^3/(mol*s)'), n=2.74, w0=(301000,'J/mol'), E0=(39964.9,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_N-4R!H->O_1R!H-inRing_Ext-4C-R_Ext-5R!H-R_Ext-5R!H-R_Ext-5R!H-R_Ext-5R!H-R_Sp-6R!H-5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_N-4R!H->O_1R!H-inRing_Ext-4C-R_Ext-5R!H-R_Ext-5R!H-R_Ext-5R!H-R_Ext-5R!H-R_Sp-6R!H-5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_N-4R!H->O_1R!H-inRing_Ext-4C-R_Ext-5R!H-R_Ext-5R!H-R_Ext-5R!H-R_Ext-5R!H-R_Sp-6R!H-5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_N-4R!H->O_1R!H-inRing_Ext-4C-R_Ext-5R!H-R_Ext-5R!H-R_Ext-5R!H-R_Ext-5R!H-R_Sp-6R!H-5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 460, + label = "Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_N-4R!H->O_1R!H-inRing_Ext-4C-R_Ext-5R!H-R_Ext-5R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-6R!H-5R!H", + kinetics = ArrheniusBM(A=(2.88e-05,'m^3/(mol*s)'), n=2.8, w0=(301000,'J/mol'), E0=(41618,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_N-4R!H->O_1R!H-inRing_Ext-4C-R_Ext-5R!H-R_Ext-5R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-6R!H-5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_N-4R!H->O_1R!H-inRing_Ext-4C-R_Ext-5R!H-R_Ext-5R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-6R!H-5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_N-4R!H->O_1R!H-inRing_Ext-4C-R_Ext-5R!H-R_Ext-5R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-6R!H-5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_N-4R!H->O_1R!H-inRing_Ext-4C-R_Ext-5R!H-R_Ext-5R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-6R!H-5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 461, + label = "Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_N-4R!H->O_N-1R!H-inRing_Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(0.000390923,'m^3/(mol*s)'), n=3.15061, w0=(301000,'J/mol'), E0=(28799.3,'J/mol'), Tmin=(303.03,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_N-4R!H->O_N-1R!H-inRing_Sp-2R!H=1R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_N-4R!H->O_N-1R!H-inRing_Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_N-4R!H->O_N-1R!H-inRing_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_N-4R!H->O_N-1R!H-inRing_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 462, + label = "Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_N-4R!H->O_N-1R!H-inRing_N-Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(0.0408,'m^3/(mol*s)'), n=2.24, w0=(289500,'J/mol'), E0=(62219.5,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_N-4R!H->O_N-1R!H-inRing_N-Sp-2R!H=1R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_N-4R!H->O_N-1R!H-inRing_N-Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_N-4R!H->O_N-1R!H-inRing_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_N-4R!H->O_N-1R!H-inRing_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 463, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Sp-5R!H-2R!H_N-Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(1.71433e-05,'m^3/(mol*s)'), n=3.49667, w0=(289500,'J/mol'), E0=(28950,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.6741979665247289, var=0.9926644940508955, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Sp-5R!H-2R!H_N-Sp-2R!H=1R!H',), comment="""BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Sp-5R!H-2R!H_N-Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 6.203896224487224"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Sp-5R!H-2R!H_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 6.203896224487224""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Sp-5R!H-2R!H_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 6.203896224487224 +""", +) + +entry( + index = 464, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(7.44695e-09,'m^3/(mol*s)'), n=3.79504, w0=(299574,'J/mol'), E0=(47373.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.17489268893862514, var=2.171263451564496, Tref=1000.0, N=387, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R',), comment="""BM rule fitted to 387 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R + Total Standard Deviation in ln(k): 3.393447636087045"""), + rank = 11, + shortDesc = """BM rule fitted to 387 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 3.393447636087045""", + longDesc = +""" +BM rule fitted to 387 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 3.393447636087045 +""", +) + +entry( + index = 465, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.0161546,'m^3/(mol*s)'), n=2.47129, w0=(298125,'J/mol'), E0=(76663.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.25663040539249876, var=1.5030377334890892, Tref=1000.0, N=40, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R',), comment="""BM rule fitted to 40 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R + Total Standard Deviation in ln(k): 3.1025739318497867"""), + rank = 11, + shortDesc = """BM rule fitted to 40 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.1025739318497867""", + longDesc = +""" +BM rule fitted to 40 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.1025739318497867 +""", +) + +entry( + index = 466, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00199071,'m^3/(mol*s)'), n=2.60925, w0=(295250,'J/mol'), E0=(68688.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.006331287133054143, var=0.0022648601946323728, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Sp-5R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.11131419618924869"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.11131419618924869""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.11131419618924869 +""", +) + +entry( + index = 467, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(2.59961e-07,'m^3/(mol*s)'), n=3.65572, w0=(295250,'J/mol'), E0=(55762.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08290994117251313, var=0.4967629443314249, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 1.6212820253384275"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.6212820253384275""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.6212820253384275 +""", +) + +entry( + index = 468, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_2R!H->S", + kinetics = ArrheniusBM(A=(0.0301124,'m^3/(mol*s)'), n=2.45676, w0=(314250,'J/mol'), E0=(8503.07,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.5375407035749973, var=0.4455672942995682, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_2R!H->S',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_2R!H->S + Total Standard Deviation in ln(k): 2.6887820318494495"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_2R!H->S +Total Standard Deviation in ln(k): 2.6887820318494495""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_2R!H->S +Total Standard Deviation in ln(k): 2.6887820318494495 +""", +) + +entry( + index = 469, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S", + kinetics = ArrheniusBM(A=(0.110481,'m^3/(mol*s)'), n=2.16707, w0=(297817,'J/mol'), E0=(18778.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.22851543754239817, var=2.685807368959751, Tref=1000.0, N=63, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S',), comment="""BM rule fitted to 63 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S + Total Standard Deviation in ln(k): 3.8596060449567937"""), + rank = 11, + shortDesc = """BM rule fitted to 63 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S +Total Standard Deviation in ln(k): 3.8596060449567937""", + longDesc = +""" +BM rule fitted to 63 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S +Total Standard Deviation in ln(k): 3.8596060449567937 +""", +) + +entry( + index = 470, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_2R!H->O", + kinetics = ArrheniusBM(A=(1.83269e-06,'m^3/(mol*s)'), n=3.16244, w0=(399500,'J/mol'), E0=(92827.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.005343835929511115, var=2.0042309368446984, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_2R!H->O',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_2R!H->O + Total Standard Deviation in ln(k): 2.851547481718018"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_2R!H->O +Total Standard Deviation in ln(k): 2.851547481718018""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_2R!H->O +Total Standard Deviation in ln(k): 2.851547481718018 +""", +) + +entry( + index = 471, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O", + kinetics = ArrheniusBM(A=(0.000385041,'m^3/(mol*s)'), n=2.87854, w0=(300568,'J/mol'), E0=(84468.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.28056423286266496, var=21.453542271680266, Tref=1000.0, N=22, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O',), comment="""BM rule fitted to 22 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O + Total Standard Deviation in ln(k): 9.990460920888738"""), + rank = 11, + shortDesc = """BM rule fitted to 22 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O +Total Standard Deviation in ln(k): 9.990460920888738""", + longDesc = +""" +BM rule fitted to 22 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O +Total Standard Deviation in ln(k): 9.990460920888738 +""", +) + +entry( + index = 472, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_3NOS->N", + kinetics = ArrheniusBM(A=(0.000614,'m^3/(mol*s)'), n=2.756, w0=(280500,'J/mol'), E0=(33345.1,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_3NOS->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_3NOS->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_3NOS->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_3NOS->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 473, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N", + kinetics = ArrheniusBM(A=(3525.83,'m^3/(mol*s)'), n=0.980009, w0=(294188,'J/mol'), E0=(23818.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.46824304586303583, var=3.8010729354113755, Tref=1000.0, N=16, data_mean=0.0, correlation='Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N',), comment="""BM rule fitted to 16 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N + Total Standard Deviation in ln(k): 5.084989836437216"""), + rank = 11, + shortDesc = """BM rule fitted to 16 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N +Total Standard Deviation in ln(k): 5.084989836437216""", + longDesc = +""" +BM rule fitted to 16 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N +Total Standard Deviation in ln(k): 5.084989836437216 +""", +) + +entry( + index = 474, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-4R!H-2COS_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Int-7R!H-6R!H_Ext-7R!H-R_Int-8R!H-2COS_Ext-5R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(303.4,'m^3/(mol*s)'), n=1.546, w0=(291500,'J/mol'), E0=(29150,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-4R!H-2COS_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Int-7R!H-6R!H_Ext-7R!H-R_Int-8R!H-2COS_Ext-5R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-4R!H-2COS_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Int-7R!H-6R!H_Ext-7R!H-R_Int-8R!H-2COS_Ext-5R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-4R!H-2COS_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Int-7R!H-6R!H_Ext-7R!H-R_Int-8R!H-2COS_Ext-5R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-4R!H-2COS_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Int-7R!H-6R!H_Ext-7R!H-R_Int-8R!H-2COS_Ext-5R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 475, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_Ext-2COS-R", + kinetics = ArrheniusBM(A=(0.000325304,'m^3/(mol*s)'), n=3.10137, w0=(333500,'J/mol'), E0=(36183.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07844986864419971, var=0.5406027264709055, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_Ext-2COS-R',), comment="""BM rule fitted to 7 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_Ext-2COS-R + Total Standard Deviation in ln(k): 1.6711055448713397"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_Ext-2COS-R +Total Standard Deviation in ln(k): 1.6711055448713397""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_Ext-2COS-R +Total Standard Deviation in ln(k): 1.6711055448713397 +""", +) + +entry( + index = 476, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_8R!H-inRing", + kinetics = ArrheniusBM(A=(12.2,'m^3/(mol*s)'), n=1.64, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_8R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_8R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_8R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_8R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 477, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_N-8R!H-inRing", + kinetics = ArrheniusBM(A=(1.08191e+10,'m^3/(mol*s)'), n=-0.539181, w0=(331200,'J/mol'), E0=(83683.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.15616182615163104, var=4.996508600964824, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_N-8R!H-inRing',), comment="""BM rule fitted to 10 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_N-8R!H-inRing + Total Standard Deviation in ln(k): 4.873524936189603"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_N-8R!H-inRing +Total Standard Deviation in ln(k): 4.873524936189603""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_N-8R!H-inRing +Total Standard Deviation in ln(k): 4.873524936189603 +""", +) + +entry( + index = 478, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_N-Sp-2COS=1CCOOSS_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(4.14787e-08,'m^3/(mol*s)'), n=4.41528, w0=(322000,'J/mol'), E0=(32200,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2834422378669591, var=1.0440680707747363, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_N-Sp-2COS=1CCOOSS_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_N-Sp-2COS=1CCOOSS_Ext-5R!H-R + Total Standard Deviation in ln(k): 2.7605976959888"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_N-Sp-2COS=1CCOOSS_Ext-5R!H-R +Total Standard Deviation in ln(k): 2.7605976959888""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_N-Sp-2COS=1CCOOSS_Ext-5R!H-R +Total Standard Deviation in ln(k): 2.7605976959888 +""", +) + +entry( + index = 479, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_Ext-1COS-R_Ext-4R!H-R_Sp-7R!H#4R!H_Ext-6R!H-R_Sp-8R!H=6R!H", + kinetics = ArrheniusBM(A=(35.1,'m^3/(mol*s)'), n=1.64, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_Ext-1COS-R_Ext-4R!H-R_Sp-7R!H#4R!H_Ext-6R!H-R_Sp-8R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_Ext-1COS-R_Ext-4R!H-R_Sp-7R!H#4R!H_Ext-6R!H-R_Sp-8R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_Ext-1COS-R_Ext-4R!H-R_Sp-7R!H#4R!H_Ext-6R!H-R_Sp-8R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_Ext-1COS-R_Ext-4R!H-R_Sp-7R!H#4R!H_Ext-6R!H-R_Sp-8R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 480, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_Ext-1COS-R_Ext-4R!H-R_Sp-7R!H#4R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H", + kinetics = ArrheniusBM(A=(32.8,'m^3/(mol*s)'), n=1.64, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_Ext-1COS-R_Ext-4R!H-R_Sp-7R!H#4R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_Ext-1COS-R_Ext-4R!H-R_Sp-7R!H#4R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_Ext-1COS-R_Ext-4R!H-R_Sp-7R!H#4R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_Ext-1COS-R_Ext-4R!H-R_Sp-7R!H#4R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 481, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_6R!H-inRing_Ext-4R!H-R_Sp-8R!H#4R!H_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(1.31911e-06,'m^3/(mol*s)'), n=3.89807, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=2.3349408116354233, var=0.09919912702019791, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_6R!H-inRing_Ext-4R!H-R_Sp-8R!H#4R!H_Ext-7R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_6R!H-inRing_Ext-4R!H-R_Sp-8R!H#4R!H_Ext-7R!H-R + Total Standard Deviation in ln(k): 6.498094669476878"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_6R!H-inRing_Ext-4R!H-R_Sp-8R!H#4R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 6.498094669476878""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_6R!H-inRing_Ext-4R!H-R_Sp-8R!H#4R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 6.498094669476878 +""", +) + +entry( + index = 482, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_6R!H-inRing_Ext-4R!H-R_N-Sp-8R!H#4R!H_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(103,'m^3/(mol*s)'), n=1.64, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_6R!H-inRing_Ext-4R!H-R_N-Sp-8R!H#4R!H_Ext-7R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_6R!H-inRing_Ext-4R!H-R_N-Sp-8R!H#4R!H_Ext-7R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_6R!H-inRing_Ext-4R!H-R_N-Sp-8R!H#4R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_6R!H-inRing_Ext-4R!H-R_N-Sp-8R!H#4R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 483, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing_Ext-4R!H-R_Sp-8R!H#4R!H", + kinetics = ArrheniusBM(A=(2.36583,'m^3/(mol*s)'), n=2.12915, w0=(333500,'J/mol'), E0=(52592.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.005794446826930248, var=0.046421034334500046, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing_Ext-4R!H-R_Sp-8R!H#4R!H',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing_Ext-4R!H-R_Sp-8R!H#4R!H + Total Standard Deviation in ln(k): 0.4464899326267424"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing_Ext-4R!H-R_Sp-8R!H#4R!H +Total Standard Deviation in ln(k): 0.4464899326267424""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing_Ext-4R!H-R_Sp-8R!H#4R!H +Total Standard Deviation in ln(k): 0.4464899326267424 +""", +) + +entry( + index = 484, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing_Ext-4R!H-R_N-Sp-8R!H#4R!H", + kinetics = ArrheniusBM(A=(11.4623,'m^3/(mol*s)'), n=1.93303, w0=(333500,'J/mol'), E0=(47219.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.00268943053527149, var=0.0197379000325988, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing_Ext-4R!H-R_N-Sp-8R!H#4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing_Ext-4R!H-R_N-Sp-8R!H#4R!H + Total Standard Deviation in ln(k): 0.28840587568335907"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing_Ext-4R!H-R_N-Sp-8R!H#4R!H +Total Standard Deviation in ln(k): 0.28840587568335907""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing_Ext-4R!H-R_N-Sp-8R!H#4R!H +Total Standard Deviation in ln(k): 0.28840587568335907 +""", +) + +entry( + index = 485, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C_Ext-1COS-R_N-6R!H-inRing_Ext-4C-R_Sp-7R!H#4C_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(4.61573,'m^3/(mol*s)'), n=2.03394, w0=(333500,'J/mol'), E0=(57863.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.1798417374217374, var=2.1910639718330027, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C_Ext-1COS-R_N-6R!H-inRing_Ext-4C-R_Sp-7R!H#4C_Ext-6R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C_Ext-1COS-R_N-6R!H-inRing_Ext-4C-R_Sp-7R!H#4C_Ext-6R!H-R + Total Standard Deviation in ln(k): 5.931884048168814"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C_Ext-1COS-R_N-6R!H-inRing_Ext-4C-R_Sp-7R!H#4C_Ext-6R!H-R +Total Standard Deviation in ln(k): 5.931884048168814""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C_Ext-1COS-R_N-6R!H-inRing_Ext-4C-R_Sp-7R!H#4C_Ext-6R!H-R +Total Standard Deviation in ln(k): 5.931884048168814 +""", +) + +entry( + index = 486, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C_Ext-1COS-R_N-6R!H-inRing_Ext-4C-R_N-Sp-7R!H#4C_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(145,'m^3/(mol*s)'), n=1.64, w0=(333500,'J/mol'), E0=(58297.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C_Ext-1COS-R_N-6R!H-inRing_Ext-4C-R_N-Sp-7R!H#4C_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C_Ext-1COS-R_N-6R!H-inRing_Ext-4C-R_N-Sp-7R!H#4C_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C_Ext-1COS-R_N-6R!H-inRing_Ext-4C-R_N-Sp-7R!H#4C_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C_Ext-1COS-R_N-6R!H-inRing_Ext-4C-R_N-Sp-7R!H#4C_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 487, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Sp-5R!H-2R!H_Sp-2R!H=1R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.0286,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Sp-5R!H-2R!H_Sp-2R!H=1R!H_Ext-2R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Sp-5R!H-2R!H_Sp-2R!H=1R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Sp-5R!H-2R!H_Sp-2R!H=1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Sp-5R!H-2R!H_Sp-2R!H=1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 488, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.00463454,'m^3/(mol*s)'), n=2.43412, w0=(297933,'J/mol'), E0=(67028.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.02783711695480183, var=1.4356472555007966, Tref=1000.0, N=15, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R',), comment="""BM rule fitted to 15 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R + Total Standard Deviation in ln(k): 2.471985971223484"""), + rank = 11, + shortDesc = """BM rule fitted to 15 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 2.471985971223484""", + longDesc = +""" +BM rule fitted to 15 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 2.471985971223484 +""", +) + +entry( + index = 489, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Sp-5R!H#4R!H", + kinetics = ArrheniusBM(A=(0.0481197,'m^3/(mol*s)'), n=2.32288, w0=(289500,'J/mol'), E0=(78593.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.011269764715017432, var=1.5283286210745222, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Sp-5R!H#4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Sp-5R!H#4R!H + Total Standard Deviation in ln(k): 2.5066815354277625"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Sp-5R!H#4R!H +Total Standard Deviation in ln(k): 2.5066815354277625""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Sp-5R!H#4R!H +Total Standard Deviation in ln(k): 2.5066815354277625 +""", +) + +entry( + index = 490, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H", + kinetics = ArrheniusBM(A=(0.00112666,'m^3/(mol*s)'), n=2.72306, w0=(297933,'J/mol'), E0=(65969,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.029077052968164502, var=1.3999015449223493, Tref=1000.0, N=15, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H',), comment="""BM rule fitted to 15 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H + Total Standard Deviation in ln(k): 2.4450090462025065"""), + rank = 11, + shortDesc = """BM rule fitted to 15 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H +Total Standard Deviation in ln(k): 2.4450090462025065""", + longDesc = +""" +BM rule fitted to 15 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H +Total Standard Deviation in ln(k): 2.4450090462025065 +""", +) + +entry( + index = 491, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(1.96362e-05,'m^3/(mol*s)'), n=2.9327, w0=(297933,'J/mol'), E0=(58832,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0883496764645739, var=1.0400319318217595, Tref=1000.0, N=15, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H',), comment="""BM rule fitted to 15 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 2.266452153181533"""), + rank = 11, + shortDesc = """BM rule fitted to 15 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 2.266452153181533""", + longDesc = +""" +BM rule fitted to 15 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 2.266452153181533 +""", +) + +entry( + index = 492, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(1.0526e-08,'m^3/(mol*s)'), n=3.84221, w0=(297933,'J/mol'), E0=(40649.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1755270525223116, var=1.3162119257327813, Tref=1000.0, N=30, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 30 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 2.740980717474135"""), + rank = 11, + shortDesc = """BM rule fitted to 30 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 2.740980717474135""", + longDesc = +""" +BM rule fitted to 30 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 2.740980717474135 +""", +) + +entry( + index = 493, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(0.00384,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(62716,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 494, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(0.0123,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(72290.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 495, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(6.01066e-05,'m^3/(mol*s)'), n=2.92398, w0=(301000,'J/mol'), E0=(56763,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0008865815251270432, var=0.28029168291520024, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 1.0635860737724434"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 1.0635860737724434""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 1.0635860737724434 +""", +) + +entry( + index = 496, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(1.34809e-06,'m^3/(mol*s)'), n=3.50705, w0=(289500,'J/mol'), E0=(63133.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.017090790220012426, var=2.2113681607078317, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 3.0241169926988594"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 3.0241169926988594""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 3.0241169926988594 +""", +) + +entry( + index = 497, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing", + kinetics = ArrheniusBM(A=(0.00110559,'m^3/(mol*s)'), n=2.51597, w0=(300060,'J/mol'), E0=(54005.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.020051455744460715, var=1.7444780101520687, Tref=1000.0, N=284, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing',), comment="""BM rule fitted to 284 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing + Total Standard Deviation in ln(k): 2.6982083512460577"""), + rank = 11, + shortDesc = """BM rule fitted to 284 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing +Total Standard Deviation in ln(k): 2.6982083512460577""", + longDesc = +""" +BM rule fitted to 284 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing +Total Standard Deviation in ln(k): 2.6982083512460577 +""", +) + +entry( + index = 498, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_2R!H->S_Ext-3R-R", + kinetics = ArrheniusBM(A=(1.32074e+13,'m^3/(mol*s)'), n=-2.38381, w0=(323500,'J/mol'), E0=(-29506.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-2.314807242119524, var=0.7162012633254858, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_2R!H->S_Ext-3R-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_2R!H->S_Ext-3R-R + Total Standard Deviation in ln(k): 7.512679331667494"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_2R!H->S_Ext-3R-R +Total Standard Deviation in ln(k): 7.512679331667494""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_2R!H->S_Ext-3R-R +Total Standard Deviation in ln(k): 7.512679331667494 +""", +) + +entry( + index = 499, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_2R!H->S_3R->C", + kinetics = ArrheniusBM(A=(0.000557,'m^3/(mol*s)'), n=2.9, w0=(323500,'J/mol'), E0=(32350,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_2R!H->S_3R->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_2R!H->S_3R->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_2R!H->S_3R->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_2R!H->S_3R->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 500, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_2R!H->S_N-3R->C", + kinetics = ArrheniusBM(A=(0.000858,'m^3/(mol*s)'), n=2.9, w0=(286500,'J/mol'), E0=(20544.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_2R!H->S_N-3R->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_2R!H->S_N-3R->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_2R!H->S_N-3R->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_2R!H->S_N-3R->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 501, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C", + kinetics = ArrheniusBM(A=(0.000149848,'m^3/(mol*s)'), n=2.80631, w0=(299190,'J/mol'), E0=(-6089.37,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-4.301023758715847, var=31.18587107119638, Tref=1000.0, N=58, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C',), comment="""BM rule fitted to 58 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C + Total Standard Deviation in ln(k): 22.00189733675937"""), + rank = 11, + shortDesc = """BM rule fitted to 58 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C +Total Standard Deviation in ln(k): 22.00189733675937""", + longDesc = +""" +BM rule fitted to 58 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C +Total Standard Deviation in ln(k): 22.00189733675937 +""", +) + +entry( + index = 502, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_N-1R!H->C", + kinetics = ArrheniusBM(A=(1.9496,'m^3/(mol*s)'), n=1.8086, w0=(281900,'J/mol'), E0=(-9743.94,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.4973108824972017, var=4.821820298763255, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_N-1R!H->C',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_N-1R!H->C + Total Standard Deviation in ln(k): 8.164213957290087"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_N-1R!H->C +Total Standard Deviation in ln(k): 8.164213957290087""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_N-1R!H->C +Total Standard Deviation in ln(k): 8.164213957290087 +""", +) + +entry( + index = 503, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_2R!H->O_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(1.02922e-06,'m^3/(mol*s)'), n=3.25932, w0=(399500,'J/mol'), E0=(90648.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.01125311272518736, var=4.10039459613256, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_2R!H->O_Ext-1R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_2R!H->O_Ext-1R!H-R + Total Standard Deviation in ln(k): 4.087748633631453"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_2R!H->O_Ext-1R!H-R +Total Standard Deviation in ln(k): 4.087748633631453""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_2R!H->O_Ext-1R!H-R +Total Standard Deviation in ln(k): 4.087748633631453 +""", +) + +entry( + index = 504, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0", + kinetics = ArrheniusBM(A=(0.000215552,'m^3/(mol*s)'), n=2.95075, w0=(299139,'J/mol'), E0=(83905.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.27016149731507766, var=21.44897887566356, Tref=1000.0, N=18, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0',), comment="""BM rule fitted to 18 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0 + Total Standard Deviation in ln(k): 9.963335776961458"""), + rank = 11, + shortDesc = """BM rule fitted to 18 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0 +Total Standard Deviation in ln(k): 9.963335776961458""", + longDesc = +""" +BM rule fitted to 18 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0 +Total Standard Deviation in ln(k): 9.963335776961458 +""", +) + +entry( + index = 505, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_N-4OS-u0", + kinetics = ArrheniusBM(A=(2.27033e+10,'m^3/(mol*s)'), n=-1.09506, w0=(307000,'J/mol'), E0=(73361.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.7948828251021294, var=3.767528845870927, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_N-4OS-u0',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_N-4OS-u0 + Total Standard Deviation in ln(k): 5.888408521512285"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_N-4OS-u0 +Total Standard Deviation in ln(k): 5.888408521512285""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_N-4OS-u0 +Total Standard Deviation in ln(k): 5.888408521512285 +""", +) + +entry( + index = 506, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_Ext-1CS-R", + kinetics = ArrheniusBM(A=(56.3546,'m^3/(mol*s)'), n=1.56007, w0=(292000,'J/mol'), E0=(644.498,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.15557449866329007, var=0.9119929087898784, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_Ext-1CS-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_Ext-1CS-R + Total Standard Deviation in ln(k): 2.3053790158554723"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_Ext-1CS-R +Total Standard Deviation in ln(k): 2.3053790158554723""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_Ext-1CS-R +Total Standard Deviation in ln(k): 2.3053790158554723 +""", +) + +entry( + index = 507, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C", + kinetics = ArrheniusBM(A=(33.5325,'m^3/(mol*s)'), n=1.54879, w0=(298350,'J/mol'), E0=(23570.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07911900293020285, var=1.4535162385552443, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C + Total Standard Deviation in ln(k): 2.6157373868779112"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C +Total Standard Deviation in ln(k): 2.6157373868779112""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C +Total Standard Deviation in ln(k): 2.6157373868779112 +""", +) + +entry( + index = 508, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_N-1CS->C", + kinetics = ArrheniusBM(A=(0.00722,'m^3/(mol*s)'), n=2.6, w0=(263500,'J/mol'), E0=(16893.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_N-1CS->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_N-1CS->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_N-1CS->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_N-1CS->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 509, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_Ext-2COS-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.000396986,'m^3/(mol*s)'), n=3.06994, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1354958037088127, var=0.5294919384956885, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_Ext-2COS-R_Ext-8R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_Ext-2COS-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.7992111879739467"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_Ext-2COS-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.7992111879739467""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_Ext-2COS-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.7992111879739467 +""", +) + +entry( + index = 510, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_N-8R!H-inRing_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(22.9085,'m^3/(mol*s)'), n=2.03424, w0=(331200,'J/mol'), E0=(33120,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06299699315309763, var=9.68580321186814, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_N-8R!H-inRing_Ext-8R!H-R',), comment="""BM rule fitted to 5 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_N-8R!H-inRing_Ext-8R!H-R + Total Standard Deviation in ln(k): 6.3974250391048875"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_N-8R!H-inRing_Ext-8R!H-R +Total Standard Deviation in ln(k): 6.3974250391048875""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_N-8R!H-inRing_Ext-8R!H-R +Total Standard Deviation in ln(k): 6.3974250391048875 +""", +) + +entry( + index = 511, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_N-8R!H-inRing_Sp-2COS=1CCOOSS", + kinetics = ArrheniusBM(A=(3.85637e-05,'m^3/(mol*s)'), n=3.53205, w0=(333500,'J/mol'), E0=(31037.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08521921111973504, var=2.6197857619542035, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_N-8R!H-inRing_Sp-2COS=1CCOOSS',), comment="""BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_N-8R!H-inRing_Sp-2COS=1CCOOSS + Total Standard Deviation in ln(k): 3.4589331517020003"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_N-8R!H-inRing_Sp-2COS=1CCOOSS +Total Standard Deviation in ln(k): 3.4589331517020003""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_N-8R!H-inRing_Sp-2COS=1CCOOSS +Total Standard Deviation in ln(k): 3.4589331517020003 +""", +) + +entry( + index = 512, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_N-8R!H-inRing_N-Sp-2COS=1CCOOSS", + kinetics = ArrheniusBM(A=(16390,'m^3/(mol*s)'), n=1.06, w0=(322000,'J/mol'), E0=(32200,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_N-8R!H-inRing_N-Sp-2COS=1CCOOSS',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_N-8R!H-inRing_N-Sp-2COS=1CCOOSS + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_N-8R!H-inRing_N-Sp-2COS=1CCOOSS +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_N-8R!H-inRing_N-Sp-2COS=1CCOOSS +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 513, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_6R!H-inRing_Ext-4R!H-R_Sp-8R!H#4R!H_Ext-7R!H-R_Sp-9R!H=7R!H", + kinetics = ArrheniusBM(A=(104,'m^3/(mol*s)'), n=1.64, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_6R!H-inRing_Ext-4R!H-R_Sp-8R!H#4R!H_Ext-7R!H-R_Sp-9R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_6R!H-inRing_Ext-4R!H-R_Sp-8R!H#4R!H_Ext-7R!H-R_Sp-9R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_6R!H-inRing_Ext-4R!H-R_Sp-8R!H#4R!H_Ext-7R!H-R_Sp-9R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_6R!H-inRing_Ext-4R!H-R_Sp-8R!H#4R!H_Ext-7R!H-R_Sp-9R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 514, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_6R!H-inRing_Ext-4R!H-R_Sp-8R!H#4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H", + kinetics = ArrheniusBM(A=(96.8,'m^3/(mol*s)'), n=1.64, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_6R!H-inRing_Ext-4R!H-R_Sp-8R!H#4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_6R!H-inRing_Ext-4R!H-R_Sp-8R!H#4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_6R!H-inRing_Ext-4R!H-R_Sp-8R!H#4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_6R!H-inRing_Ext-4R!H-R_Sp-8R!H#4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 515, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing_Ext-4R!H-R_Sp-8R!H#4R!H_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(5.49512,'m^3/(mol*s)'), n=2.03084, w0=(333500,'J/mol'), E0=(55782.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.0451520395294573, var=1.7954458859785642, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing_Ext-4R!H-R_Sp-8R!H#4R!H_Ext-7R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing_Ext-4R!H-R_Sp-8R!H#4R!H_Ext-7R!H-R + Total Standard Deviation in ln(k): 5.31223986805041"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing_Ext-4R!H-R_Sp-8R!H#4R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 5.31223986805041""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing_Ext-4R!H-R_Sp-8R!H#4R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 5.31223986805041 +""", +) + +entry( + index = 516, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing_Ext-4R!H-R_N-Sp-8R!H#4R!H_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(168,'m^3/(mol*s)'), n=1.64, w0=(333500,'J/mol'), E0=(56599.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing_Ext-4R!H-R_N-Sp-8R!H#4R!H_Ext-7R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing_Ext-4R!H-R_N-Sp-8R!H#4R!H_Ext-7R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing_Ext-4R!H-R_N-Sp-8R!H#4R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing_Ext-4R!H-R_N-Sp-8R!H#4R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 517, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C_Ext-1COS-R_N-6R!H-inRing_Ext-4C-R_Sp-7R!H#4C_Ext-6R!H-R_Sp-8R!H=6R!H", + kinetics = ArrheniusBM(A=(145,'m^3/(mol*s)'), n=1.64, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C_Ext-1COS-R_N-6R!H-inRing_Ext-4C-R_Sp-7R!H#4C_Ext-6R!H-R_Sp-8R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C_Ext-1COS-R_N-6R!H-inRing_Ext-4C-R_Sp-7R!H#4C_Ext-6R!H-R_Sp-8R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C_Ext-1COS-R_N-6R!H-inRing_Ext-4C-R_Sp-7R!H#4C_Ext-6R!H-R_Sp-8R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C_Ext-1COS-R_N-6R!H-inRing_Ext-4C-R_Sp-7R!H#4C_Ext-6R!H-R_Sp-8R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 518, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C_Ext-1COS-R_N-6R!H-inRing_Ext-4C-R_Sp-7R!H#4C_Ext-6R!H-R_N-Sp-8R!H=6R!H", + kinetics = ArrheniusBM(A=(136,'m^3/(mol*s)'), n=1.64, w0=(333500,'J/mol'), E0=(64810.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C_Ext-1COS-R_N-6R!H-inRing_Ext-4C-R_Sp-7R!H#4C_Ext-6R!H-R_N-Sp-8R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C_Ext-1COS-R_N-6R!H-inRing_Ext-4C-R_Sp-7R!H#4C_Ext-6R!H-R_N-Sp-8R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C_Ext-1COS-R_N-6R!H-inRing_Ext-4C-R_Sp-7R!H#4C_Ext-6R!H-R_N-Sp-8R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_N-4R!H->O_Sp-4C-1COS_5R!H->C_Ext-1COS-R_N-6R!H-inRing_Ext-4C-R_Sp-7R!H#4C_Ext-6R!H-R_N-Sp-8R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 519, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing", + kinetics = ArrheniusBM(A=(0.00199267,'m^3/(mol*s)'), n=2.51314, w0=(299500,'J/mol'), E0=(68347.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.043190310984459246, var=2.0916072818327867, Tref=1000.0, N=184, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing',), comment="""BM rule fitted to 184 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing + Total Standard Deviation in ln(k): 3.007844448347514"""), + rank = 11, + shortDesc = """BM rule fitted to 184 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing +Total Standard Deviation in ln(k): 3.007844448347514""", + longDesc = +""" +BM rule fitted to 184 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing +Total Standard Deviation in ln(k): 3.007844448347514 +""", +) + +entry( + index = 520, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.00449467,'m^3/(mol*s)'), n=2.43795, w0=(298346,'J/mol'), E0=(67796.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.026267496978405906, var=1.6214978459107519, Tref=1000.0, N=13, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R',), comment="""BM rule fitted to 13 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R + Total Standard Deviation in ln(k): 2.618789250516191"""), + rank = 11, + shortDesc = """BM rule fitted to 13 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.618789250516191""", + longDesc = +""" +BM rule fitted to 13 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.618789250516191 +""", +) + +entry( + index = 521, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(0.00265,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(55300.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Sp-2R!H=1R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 522, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_N-Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(0.00847,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(65262.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_N-Sp-2R!H=1R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_N-Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 523, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Sp-5R!H#4R!H_Sp-6R!H-3R", + kinetics = ArrheniusBM(A=(0.770834,'m^3/(mol*s)'), n=1.906, w0=(289500,'J/mol'), E0=(73815.1,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Sp-5R!H#4R!H_Sp-6R!H-3R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Sp-5R!H#4R!H_Sp-6R!H-3R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Sp-5R!H#4R!H_Sp-6R!H-3R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Sp-5R!H#4R!H_Sp-6R!H-3R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 524, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Sp-5R!H#4R!H_N-Sp-6R!H-3R", + kinetics = ArrheniusBM(A=(2.19206,'m^3/(mol*s)'), n=1.851, w0=(289500,'J/mol'), E0=(86814.4,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Sp-5R!H#4R!H_N-Sp-6R!H-3R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Sp-5R!H#4R!H_N-Sp-6R!H-3R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Sp-5R!H#4R!H_N-Sp-6R!H-3R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Sp-5R!H#4R!H_N-Sp-6R!H-3R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 525, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.00126239,'m^3/(mol*s)'), n=2.70973, w0=(298346,'J/mol'), E0=(66923.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.027008967821274134, var=1.5849119756993582, Tref=1000.0, N=13, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R',), comment="""BM rule fitted to 13 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 2.5916886163767554"""), + rank = 11, + shortDesc = """BM rule fitted to 13 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.5916886163767554""", + longDesc = +""" +BM rule fitted to 13 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.5916886163767554 +""", +) + +entry( + index = 526, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(0.00775,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(58865.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Sp-2R!H=1R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 527, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_N-Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(0.0248,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(68197.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_N-Sp-2R!H=1R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_N-Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 528, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(2.37331e-20,'m^3/(mol*s)'), n=7.52547, w0=(289500,'J/mol'), E0=(25850.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.431582043652113, var=2.4404716369130854, Tref=1000.0, N=36, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H',), comment="""BM rule fitted to 36 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 4.216175926612279"""), + rank = 11, + shortDesc = """BM rule fitted to 36 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 4.216175926612279""", + longDesc = +""" +BM rule fitted to 36 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 4.216175926612279 +""", +) + +entry( + index = 529, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(0.000497,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(51660.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 530, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(0.00159,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(63959.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 531, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(4.45219e-05,'m^3/(mol*s)'), n=2.76205, w0=(301000,'J/mol'), E0=(46547.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.01812116321129392, var=4.27593516324788, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 4.1909888056197"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 4.1909888056197""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 4.1909888056197 +""", +) + +entry( + index = 532, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(4.40722e-05,'m^3/(mol*s)'), n=2.86564, w0=(289500,'J/mol'), E0=(54280,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.018592853743350193, var=3.8992775948564082, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 4.005383586051017"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 4.005383586051017""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 4.005383586051017 +""", +) + +entry( + index = 533, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00252,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(56591.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 534, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00213,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(58379.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 535, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00806,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(67784.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 536, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00683,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(75650.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 537, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(3.27361e-05,'m^3/(mol*s)'), n=2.96235, w0=(302226,'J/mol'), E0=(45471.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07607423073531612, var=1.6321801178365756, Tref=1000.0, N=115, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H',), comment="""BM rule fitted to 115 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 2.7523267632822295"""), + rank = 11, + shortDesc = """BM rule fitted to 115 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 2.7523267632822295""", + longDesc = +""" +BM rule fitted to 115 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 2.7523267632822295 +""", +) + +entry( + index = 538, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(1.43829e-11,'m^3/(mol*s)'), n=4.94573, w0=(289500,'J/mol'), E0=(28869.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.24194679172353428, var=2.1583231935685774, Tref=1000.0, N=36, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H',), comment="""BM rule fitted to 36 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 3.553109471835492"""), + rank = 11, + shortDesc = """BM rule fitted to 36 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 3.553109471835492""", + longDesc = +""" +BM rule fitted to 36 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 3.553109471835492 +""", +) + +entry( + index = 539, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_2R!H->S_Ext-3R-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.00012,'m^3/(mol*s)'), n=3, w0=(323500,'J/mol'), E0=(32350,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_2R!H->S_Ext-3R-R_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_2R!H->S_Ext-3R-R_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_2R!H->S_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_2R!H->S_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 540, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R", + kinetics = ArrheniusBM(A=(1.50936e-19,'m^3/(mol*s)'), n=7.26198, w0=(299360,'J/mol'), E0=(-20699.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-5.016510579922462, var=12.287108274227712, Tref=1000.0, N=57, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R',), comment="""BM rule fitted to 57 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R + Total Standard Deviation in ln(k): 19.631490139818307"""), + rank = 11, + shortDesc = """BM rule fitted to 57 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R +Total Standard Deviation in ln(k): 19.631490139818307""", + longDesc = +""" +BM rule fitted to 57 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R +Total Standard Deviation in ln(k): 19.631490139818307 +""", +) + +entry( + index = 541, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_N-Sp-4C-3R", + kinetics = ArrheniusBM(A=(5e+06,'m^3/(mol*s)'), n=0, w0=(289500,'J/mol'), E0=(28950,'J/mol'), Tmin=(700,'K'), Tmax=(1300,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_N-Sp-4C-3R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_N-Sp-4C-3R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_N-Sp-4C-3R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_N-Sp-4C-3R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 542, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_N-1R!H->C_3R->C", + kinetics = ArrheniusBM(A=(0.399213,'m^3/(mol*s)'), n=1.96293, w0=(286500,'J/mol'), E0=(2860.31,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.05443739936058979, var=0.22246176878412954, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_N-1R!H->C_3R->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_N-1R!H->C_3R->C + Total Standard Deviation in ln(k): 1.0823277846787747"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_N-1R!H->C_3R->C +Total Standard Deviation in ln(k): 1.0823277846787747""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_N-1R!H->C_3R->C +Total Standard Deviation in ln(k): 1.0823277846787747 +""", +) + +entry( + index = 543, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_N-1R!H->C_N-3R->C", + kinetics = ArrheniusBM(A=(0.000382,'m^3/(mol*s)'), n=3, w0=(263500,'J/mol'), E0=(15496.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_N-1R!H->C_N-3R->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_N-1R!H->C_N-3R->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_N-1R!H->C_N-3R->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_N-1R!H->C_N-3R->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 544, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_2R!H->O_Ext-1R!H-R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(4.245e-08,'m^3/(mol*s)'), n=3.486, w0=(399500,'J/mol'), E0=(70966.8,'J/mol'), Tmin=(300,'K'), Tmax=(1600,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_2R!H->O_Ext-1R!H-R_Ext-1R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_2R!H->O_Ext-1R!H-R_Ext-1R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_2R!H->O_Ext-1R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_2R!H->O_Ext-1R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 545, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_3R->S", + kinetics = ArrheniusBM(A=(0.000162678,'m^3/(mol*s)'), n=2.98323, w0=(271333,'J/mol'), E0=(90858,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.007758950408039054, var=24.637649989600856, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_3R->S',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_3R->S + Total Standard Deviation in ln(k): 9.97026351787491"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_3R->S +Total Standard Deviation in ln(k): 9.97026351787491""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_3R->S +Total Standard Deviation in ln(k): 9.97026351787491 +""", +) + +entry( + index = 546, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S", + kinetics = ArrheniusBM(A=(1.56672e-09,'m^3/(mol*s)'), n=4.4323, w0=(304700,'J/mol'), E0=(34519.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06601880937816051, var=2.7229736048278523, Tref=1000.0, N=15, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S',), comment="""BM rule fitted to 15 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S + Total Standard Deviation in ln(k): 3.4739769834528578"""), + rank = 11, + shortDesc = """BM rule fitted to 15 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S +Total Standard Deviation in ln(k): 3.4739769834528578""", + longDesc = +""" +BM rule fitted to 15 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S +Total Standard Deviation in ln(k): 3.4739769834528578 +""", +) + +entry( + index = 547, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_N-4OS-u0_Ext-2CNS-R", + kinetics = ArrheniusBM(A=(9.09484e+11,'m^3/(mol*s)'), n=-1.51728, w0=(307000,'J/mol'), E0=(82776.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.1762016895208074, var=4.96008725972154, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_N-4OS-u0_Ext-2CNS-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_N-4OS-u0_Ext-2CNS-R + Total Standard Deviation in ln(k): 7.420076908629708"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_N-4OS-u0_Ext-2CNS-R +Total Standard Deviation in ln(k): 7.420076908629708""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_N-4OS-u0_Ext-2CNS-R +Total Standard Deviation in ln(k): 7.420076908629708 +""", +) + +entry( + index = 548, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_N-4OS-u0_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(4.42e-05,'m^3/(mol*s)'), n=3.08, w0=(307000,'J/mol'), E0=(30700,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_N-4OS-u0_Ext-1R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_N-4OS-u0_Ext-1R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_N-4OS-u0_Ext-1R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_N-4OS-u0_Ext-1R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 549, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_Ext-1CS-R_2CS->C", + kinetics = ArrheniusBM(A=(51.4071,'m^3/(mol*s)'), n=1.57169, w0=(293375,'J/mol'), E0=(881.277,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.14814276991698636, var=0.8759878539667995, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_Ext-1CS-R_2CS->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_Ext-1CS-R_2CS->C + Total Standard Deviation in ln(k): 2.2485342295527557"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_Ext-1CS-R_2CS->C +Total Standard Deviation in ln(k): 2.2485342295527557""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_Ext-1CS-R_2CS->C +Total Standard Deviation in ln(k): 2.2485342295527557 +""", +) + +entry( + index = 550, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_Ext-1CS-R_N-2CS->C", + kinetics = ArrheniusBM(A=(1.18e+07,'m^3/(mol*s)'), n=0, w0=(286500,'J/mol'), E0=(16408.7,'J/mol'), Tmin=(300,'K'), Tmax=(700,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_Ext-1CS-R_N-2CS->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_Ext-1CS-R_N-2CS->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_Ext-1CS-R_N-2CS->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_Ext-1CS-R_N-2CS->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 551, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_Ext-2CS-R", + kinetics = ArrheniusBM(A=(227288,'m^3/(mol*s)'), n=0.527512, w0=(304700,'J/mol'), E0=(45191.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10278051471134109, var=0.7300449543856123, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_Ext-2CS-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_Ext-2CS-R + Total Standard Deviation in ln(k): 1.9711416391222858"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_Ext-2CS-R +Total Standard Deviation in ln(k): 1.9711416391222858""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_Ext-2CS-R +Total Standard Deviation in ln(k): 1.9711416391222858 +""", +) + +entry( + index = 552, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_3OS-u1", + kinetics = ArrheniusBM(A=(3.54548,'m^3/(mol*s)'), n=1.8135, w0=(288250,'J/mol'), E0=(18718.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.009373659703536517, var=0.8203351189540824, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_3OS-u1',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_3OS-u1 + Total Standard Deviation in ln(k): 1.8392876466306416"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_3OS-u1 +Total Standard Deviation in ln(k): 1.8392876466306416""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_3OS-u1 +Total Standard Deviation in ln(k): 1.8392876466306416 +""", +) + +entry( + index = 553, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_N-3OS-u1", + kinetics = ArrheniusBM(A=(44.2,'m^3/(mol*s)'), n=1.55, w0=(307000,'J/mol'), E0=(23571,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_N-3OS-u1',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_N-3OS-u1 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_N-3OS-u1 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_N-3OS-u1 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 554, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_Ext-2COS-R_Ext-8R!H-R_Sp-10R!H#8R!H", + kinetics = ArrheniusBM(A=(0.000816376,'m^3/(mol*s)'), n=2.96045, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12512023388043084, var=0.4498577270205473, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_Ext-2COS-R_Ext-8R!H-R_Sp-10R!H#8R!H',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_Ext-2COS-R_Ext-8R!H-R_Sp-10R!H#8R!H + Total Standard Deviation in ln(k): 1.6589770129470893"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_Ext-2COS-R_Ext-8R!H-R_Sp-10R!H#8R!H +Total Standard Deviation in ln(k): 1.6589770129470893""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_Ext-2COS-R_Ext-8R!H-R_Sp-10R!H#8R!H +Total Standard Deviation in ln(k): 1.6589770129470893 +""", +) + +entry( + index = 555, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_N-8R!H-inRing_Ext-8R!H-R_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(33.8128,'m^3/(mol*s)'), n=2.11295, w0=(329667,'J/mol'), E0=(32966.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10523929982108042, var=14.16443226966139, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_N-8R!H-inRing_Ext-8R!H-R_Sp-9R!H=8R!H',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_N-8R!H-inRing_Ext-8R!H-R_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 7.809373988737964"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_N-8R!H-inRing_Ext-8R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 7.809373988737964""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_N-8R!H-inRing_Ext-8R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 7.809373988737964 +""", +) + +entry( + index = 556, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_N-8R!H-inRing_Ext-8R!H-R_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(10.6427,'m^3/(mol*s)'), n=1.87925, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2030829747788467, var=2.4625813259457017, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_N-8R!H-inRing_Ext-8R!H-R_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_N-8R!H-inRing_Ext-8R!H-R_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 3.6562120948262815"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_N-8R!H-inRing_Ext-8R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 3.6562120948262815""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_N-8R!H-inRing_Ext-8R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 3.6562120948262815 +""", +) + +entry( + index = 557, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_N-8R!H-inRing_Sp-2COS=1CCOOSS_Sp-8R!H-2COS", + kinetics = ArrheniusBM(A=(17.5471,'m^3/(mol*s)'), n=1.9512, w0=(333500,'J/mol'), E0=(58160.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3963520834635474, var=4.842101805299275, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_N-8R!H-inRing_Sp-2COS=1CCOOSS_Sp-8R!H-2COS',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_N-8R!H-inRing_Sp-2COS=1CCOOSS_Sp-8R!H-2COS + Total Standard Deviation in ln(k): 5.40723420042646"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_N-8R!H-inRing_Sp-2COS=1CCOOSS_Sp-8R!H-2COS +Total Standard Deviation in ln(k): 5.40723420042646""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_N-8R!H-inRing_Sp-2COS=1CCOOSS_Sp-8R!H-2COS +Total Standard Deviation in ln(k): 5.40723420042646 +""", +) + +entry( + index = 558, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_N-8R!H-inRing_Sp-2COS=1CCOOSS_N-Sp-8R!H-2COS", + kinetics = ArrheniusBM(A=(1.00939e-05,'m^3/(mol*s)'), n=3.65307, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.1787126183742396, var=2.771352368612843, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_N-8R!H-inRing_Sp-2COS=1CCOOSS_N-Sp-8R!H-2COS',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_N-8R!H-inRing_Sp-2COS=1CCOOSS_N-Sp-8R!H-2COS + Total Standard Deviation in ln(k): 6.298948012146654"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_N-8R!H-inRing_Sp-2COS=1CCOOSS_N-Sp-8R!H-2COS +Total Standard Deviation in ln(k): 6.298948012146654""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_N-8R!H-inRing_Sp-2COS=1CCOOSS_N-Sp-8R!H-2COS +Total Standard Deviation in ln(k): 6.298948012146654 +""", +) + +entry( + index = 559, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing_Ext-4R!H-R_Sp-8R!H#4R!H_Ext-7R!H-R_Sp-9R!H=7R!H", + kinetics = ArrheniusBM(A=(169,'m^3/(mol*s)'), n=1.64, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing_Ext-4R!H-R_Sp-8R!H#4R!H_Ext-7R!H-R_Sp-9R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing_Ext-4R!H-R_Sp-8R!H#4R!H_Ext-7R!H-R_Sp-9R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing_Ext-4R!H-R_Sp-8R!H#4R!H_Ext-7R!H-R_Sp-9R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing_Ext-4R!H-R_Sp-8R!H#4R!H_Ext-7R!H-R_Sp-9R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 560, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing_Ext-4R!H-R_Sp-8R!H#4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H", + kinetics = ArrheniusBM(A=(158,'m^3/(mol*s)'), n=1.64, w0=(333500,'J/mol'), E0=(63389.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing_Ext-4R!H-R_Sp-8R!H#4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing_Ext-4R!H-R_Sp-8R!H#4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing_Ext-4R!H-R_Sp-8R!H#4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing_Ext-4R!H-R_Sp-8R!H#4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 561, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R", + kinetics = ArrheniusBM(A=(1.29866e-06,'m^3/(mol*s)'), n=3.41774, w0=(298125,'J/mol'), E0=(62443.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1224221165147083, var=2.853910024303312, Tref=1000.0, N=48, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R',), comment="""BM rule fitted to 48 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R + Total Standard Deviation in ln(k): 3.694296377715782"""), + rank = 11, + shortDesc = """BM rule fitted to 48 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R +Total Standard Deviation in ln(k): 3.694296377715782""", + longDesc = +""" +BM rule fitted to 48 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R +Total Standard Deviation in ln(k): 3.694296377715782 +""", +) + +entry( + index = 562, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(3.38749e-26,'m^3/(mol*s)'), n=9.1262, w0=(301000,'J/mol'), E0=(-101.944,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.053620654030279054, var=10.981785074112475, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 6.7781720270004175"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 6.7781720270004175""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 6.7781720270004175 +""", +) + +entry( + index = 563, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(0.269816,'m^3/(mol*s)'), n=2.14073, w0=(289500,'J/mol'), E0=(75845.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.006066647497069439, var=1.891803580302816, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 2.7726126091121857"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 2.7726126091121857""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 2.7726126091121857 +""", +) + +entry( + index = 564, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(0.0308267,'m^3/(mol*s)'), n=2.13794, w0=(301000,'J/mol'), E0=(58777.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.005552712550959936, var=0.40380451458007816, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-2R!H=1R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 1.2878727668254433"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 1.2878727668254433""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 1.2878727668254433 +""", +) + +entry( + index = 565, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_N-Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(0.0225,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(65748.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_N-Sp-2R!H=1R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_N-Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 566, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.00666659,'m^3/(mol*s)'), n=2.50378, w0=(298444,'J/mol'), E0=(72716.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.006614241556316124, var=1.4307669517248922, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 2.4145759645246025"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.4145759645246025""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.4145759645246025 +""", +) + +entry( + index = 567, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(0.017633,'m^3/(mol*s)'), n=2.32137, w0=(301000,'J/mol'), E0=(59197.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0037775016388509022, var=0.3989461941740524, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Sp-2R!H=1R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 1.2757257405071056"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 1.2757257405071056""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 1.2757257405071056 +""", +) + +entry( + index = 568, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_N-Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(0.0659,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(68706.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_N-Sp-2R!H=1R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_N-Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 569, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(1.47491e-20,'m^3/(mol*s)'), n=7.58561, w0=(289500,'J/mol'), E0=(18891.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4807694366107406, var=2.363992926395251, Tref=1000.0, N=27, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R',), comment="""BM rule fitted to 27 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 4.2903000979061545"""), + rank = 11, + shortDesc = """BM rule fitted to 27 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 4.2903000979061545""", + longDesc = +""" +BM rule fitted to 27 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 4.2903000979061545 +""", +) + +entry( + index = 570, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0132788,'m^3/(mol*s)'), n=2.47923, w0=(289500,'J/mol'), E0=(80999.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.00952115858362479, var=1.643832395551251, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Sp-5R!H=4R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 2.5942339945959874"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 2.5942339945959874""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 2.5942339945959874 +""", +) + +entry( + index = 571, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(8.12499e-06,'m^3/(mol*s)'), n=3.33221, w0=(289500,'J/mol'), E0=(72881,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08171446441587282, var=1.3007952290796003, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 2.4917614001700494"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 2.4917614001700494""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 2.4917614001700494 +""", +) + +entry( + index = 572, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000403,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(50204.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 573, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000544,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(40341.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 574, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00129,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(61573.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 575, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00174,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(52143.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 576, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_N-Sp-6R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000411,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(70613.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_N-Sp-6R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_N-Sp-6R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_N-Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_N-Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 577, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C", + kinetics = ArrheniusBM(A=(3.4064e-06,'m^3/(mol*s)'), n=3.18982, w0=(301055,'J/mol'), E0=(45755.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.05995812661884844, var=1.0704275597585298, Tref=1000.0, N=109, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C',), comment="""BM rule fitted to 109 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C + Total Standard Deviation in ln(k): 2.2247769228754914"""), + rank = 11, + shortDesc = """BM rule fitted to 109 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C +Total Standard Deviation in ln(k): 2.2247769228754914""", + longDesc = +""" +BM rule fitted to 109 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C +Total Standard Deviation in ln(k): 2.2247769228754914 +""", +) + +entry( + index = 578, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_N-2R!H->C", + kinetics = ArrheniusBM(A=(475.52,'m^3/(mol*s)'), n=0.99873, w0=(323500,'J/mol'), E0=(64730.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.14307809890757442, var=0.6094365464631581, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_N-2R!H->C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_N-2R!H->C + Total Standard Deviation in ln(k): 1.9245175562683459"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_N-2R!H->C +Total Standard Deviation in ln(k): 1.9245175562683459""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_N-2R!H->C +Total Standard Deviation in ln(k): 1.9245175562683459 +""", +) + +entry( + index = 579, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(6.2569e-11,'m^3/(mol*s)'), n=4.75926, w0=(289500,'J/mol'), E0=(9447.05,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.21346830902645245, var=2.294852808932439, Tref=1000.0, N=27, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R',), comment="""BM rule fitted to 27 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 3.5732799152041688"""), + rank = 11, + shortDesc = """BM rule fitted to 27 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.5732799152041688""", + longDesc = +""" +BM rule fitted to 27 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.5732799152041688 +""", +) + +entry( + index = 580, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.000260161,'m^3/(mol*s)'), n=2.84061, w0=(289500,'J/mol'), E0=(65370.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.23340519704865148, var=1.0471264939465723, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-5R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-5R!H-R + Total Standard Deviation in ln(k): 2.6378745626913744"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 2.6378745626913744""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 2.6378745626913744 +""", +) + +entry( + index = 581, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.00175404,'m^3/(mol*s)'), n=2.7034, w0=(289500,'J/mol'), E0=(59584.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.018779614548595898, var=1.3231264497655084, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-3R-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-3R-R + Total Standard Deviation in ln(k): 2.3531762641514273"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-3R-R +Total Standard Deviation in ln(k): 2.3531762641514273""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-3R-R +Total Standard Deviation in ln(k): 2.3531762641514273 +""", +) + +entry( + index = 582, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R", + kinetics = ArrheniusBM(A=(2.1691,'m^3/(mol*s)'), n=1.5757, w0=(298700,'J/mol'), E0=(64303.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06734906652653888, var=2.5611370297015426, Tref=1000.0, N=45, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R',), comment="""BM rule fitted to 45 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R + Total Standard Deviation in ln(k): 3.3775071309094074"""), + rank = 11, + shortDesc = """BM rule fitted to 45 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R +Total Standard Deviation in ln(k): 3.3775071309094074""", + longDesc = +""" +BM rule fitted to 45 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R +Total Standard Deviation in ln(k): 3.3775071309094074 +""", +) + +entry( + index = 583, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_3R->S", + kinetics = ArrheniusBM(A=(7.39e-05,'m^3/(mol*s)'), n=3.1, w0=(264000,'J/mol'), E0=(16772.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_3R->S',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_3R->S + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_3R->S +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_3R->S +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 584, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_N-3R->S", + kinetics = ArrheniusBM(A=(8.30936e-06,'m^3/(mol*s)'), n=3.12219, w0=(305273,'J/mol'), E0=(57679,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.5249866738656871, var=5.095802622320714, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_N-3R->S',), comment="""BM rule fitted to 11 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_N-3R->S + Total Standard Deviation in ln(k): 5.844527807265619"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_N-3R->S +Total Standard Deviation in ln(k): 5.844527807265619""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_N-3R->S +Total Standard Deviation in ln(k): 5.844527807265619 +""", +) + +entry( + index = 585, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_N-1R!H->C_3R->C_Ext-3C-R", + kinetics = ArrheniusBM(A=(2.75213,'m^3/(mol*s)'), n=1.68738, w0=(286500,'J/mol'), E0=(7683.66,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.4162753080870434, var=0.20900802553989187, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_N-1R!H->C_3R->C_Ext-3C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_N-1R!H->C_3R->C_Ext-3C-R + Total Standard Deviation in ln(k): 4.474993338542993"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_N-1R!H->C_3R->C_Ext-3C-R +Total Standard Deviation in ln(k): 4.474993338542993""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_N-1R!H->C_3R->C_Ext-3C-R +Total Standard Deviation in ln(k): 4.474993338542993 +""", +) + +entry( + index = 586, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_N-1R!H->C_3R->C_Ext-2CO-R", + kinetics = ArrheniusBM(A=(0.000169,'m^3/(mol*s)'), n=3, w0=(286500,'J/mol'), E0=(20993.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_N-1R!H->C_3R->C_Ext-2CO-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_N-1R!H->C_3R->C_Ext-2CO-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_N-1R!H->C_3R->C_Ext-2CO-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_N-1R!H->C_3R->C_Ext-2CO-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 587, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_3R->S_1R!H->C", + kinetics = ArrheniusBM(A=(0.000116957,'m^3/(mol*s)'), n=2.96535, w0=(275250,'J/mol'), E0=(71125.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.00010469945112093582, var=0.01575970966630861, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_3R->S_1R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_3R->S_1R!H->C + Total Standard Deviation in ln(k): 0.2519328591017024"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_3R->S_1R!H->C +Total Standard Deviation in ln(k): 0.2519328591017024""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_3R->S_1R!H->C +Total Standard Deviation in ln(k): 0.2519328591017024 +""", +) + +entry( + index = 588, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_3R->S_N-1R!H->C", + kinetics = ArrheniusBM(A=(1.34e-05,'m^3/(mol*s)'), n=3.3, w0=(263500,'J/mol'), E0=(120038,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_3R->S_N-1R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_3R->S_N-1R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_3R->S_N-1R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_3R->S_N-1R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 589, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C", + kinetics = ArrheniusBM(A=(1.08864e-14,'m^3/(mol*s)'), n=5.90612, w0=(305857,'J/mol'), E0=(15726.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.20287051931139988, var=0.8919506740568119, Tref=1000.0, N=14, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C',), comment="""BM rule fitted to 14 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C + Total Standard Deviation in ln(k): 2.4030596837077076"""), + rank = 11, + shortDesc = """BM rule fitted to 14 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C +Total Standard Deviation in ln(k): 2.4030596837077076""", + longDesc = +""" +BM rule fitted to 14 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C +Total Standard Deviation in ln(k): 2.4030596837077076 +""", +) + +entry( + index = 590, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_N-1R!H->C", + kinetics = ArrheniusBM(A=(0.00183429,'m^3/(mol*s)'), n=2.57866, w0=(288500,'J/mol'), E0=(62017.5,'J/mol'), Tmin=(300,'K'), Tmax=(3000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_N-1R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_N-1R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_N-1R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_N-1R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 591, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_N-4OS-u0_Ext-2CNS-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.00013,'m^3/(mol*s)'), n=3.01, w0=(307000,'J/mol'), E0=(45472,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_N-4OS-u0_Ext-2CNS-R_Ext-5R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_N-4OS-u0_Ext-2CNS-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_N-4OS-u0_Ext-2CNS-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_N-4OS-u0_Ext-2CNS-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 592, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_Ext-1CS-R_2CS->C_Sp-2C=1CS", + kinetics = ArrheniusBM(A=(133.287,'m^3/(mol*s)'), n=1.4893, w0=(292667,'J/mol'), E0=(3814.22,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.8545564522033283, var=2.5016731940903947, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_Ext-1CS-R_2CS->C_Sp-2C=1CS',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_Ext-1CS-R_2CS->C_Sp-2C=1CS + Total Standard Deviation in ln(k): 5.317951788046417"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_Ext-1CS-R_2CS->C_Sp-2C=1CS +Total Standard Deviation in ln(k): 5.317951788046417""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_Ext-1CS-R_2CS->C_Sp-2C=1CS +Total Standard Deviation in ln(k): 5.317951788046417 +""", +) + +entry( + index = 593, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_Ext-1CS-R_2CS->C_N-Sp-2C=1CS", + kinetics = ArrheniusBM(A=(3.148,'m^3/(mol*s)'), n=1.876, w0=(295500,'J/mol'), E0=(29550,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_Ext-1CS-R_2CS->C_N-Sp-2C=1CS',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_Ext-1CS-R_2CS->C_N-Sp-2C=1CS + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_Ext-1CS-R_2CS->C_N-Sp-2C=1CS +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_Ext-1CS-R_2CS->C_N-Sp-2C=1CS +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 594, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_Ext-2CS-R_3OS-u1", + kinetics = ArrheniusBM(A=(276398,'m^3/(mol*s)'), n=0.502808, w0=(304125,'J/mol'), E0=(45634,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.11141684778753197, var=0.7191083990437774, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_Ext-2CS-R_3OS-u1',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_Ext-2CS-R_3OS-u1 + Total Standard Deviation in ln(k): 1.9799623740675159"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_Ext-2CS-R_3OS-u1 +Total Standard Deviation in ln(k): 1.9799623740675159""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_Ext-2CS-R_3OS-u1 +Total Standard Deviation in ln(k): 1.9799623740675159 +""", +) + +entry( + index = 595, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_Ext-2CS-R_N-3OS-u1", + kinetics = ArrheniusBM(A=(106,'m^3/(mol*s)'), n=1.58, w0=(307000,'J/mol'), E0=(24683.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_Ext-2CS-R_N-3OS-u1',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_Ext-2CS-R_N-3OS-u1 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_Ext-2CS-R_N-3OS-u1 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_Ext-2CS-R_N-3OS-u1 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 596, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_3OS-u1_Sp-2CS=1C", + kinetics = ArrheniusBM(A=(3.53669,'m^3/(mol*s)'), n=1.81401, w0=(285833,'J/mol'), E0=(18727.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.02045117257032197, var=0.7941278832414587, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_3OS-u1_Sp-2CS=1C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_3OS-u1_Sp-2CS=1C + Total Standard Deviation in ln(k): 1.837881529651873"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_3OS-u1_Sp-2CS=1C +Total Standard Deviation in ln(k): 1.837881529651873""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_3OS-u1_Sp-2CS=1C +Total Standard Deviation in ln(k): 1.837881529651873 +""", +) + +entry( + index = 597, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_3OS-u1_N-Sp-2CS=1C", + kinetics = ArrheniusBM(A=(605000,'m^3/(mol*s)'), n=0, w0=(295500,'J/mol'), E0=(29550,'J/mol'), Tmin=(298,'K'), Tmax=(1100,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_3OS-u1_N-Sp-2CS=1C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_3OS-u1_N-Sp-2CS=1C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_3OS-u1_N-Sp-2CS=1C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_3OS-u1_N-Sp-2CS=1C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 598, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_Ext-2COS-R_Ext-8R!H-R_Sp-10R!H#8R!H_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.00128525,'m^3/(mol*s)'), n=2.87609, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.2781761728225196, var=1.728097878122559, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_Ext-2COS-R_Ext-8R!H-R_Sp-10R!H#8R!H_Ext-9R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_Ext-2COS-R_Ext-8R!H-R_Sp-10R!H#8R!H_Ext-9R!H-R + Total Standard Deviation in ln(k): 5.846865252207038"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_Ext-2COS-R_Ext-8R!H-R_Sp-10R!H#8R!H_Ext-9R!H-R +Total Standard Deviation in ln(k): 5.846865252207038""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_Ext-2COS-R_Ext-8R!H-R_Sp-10R!H#8R!H_Ext-9R!H-R +Total Standard Deviation in ln(k): 5.846865252207038 +""", +) + +entry( + index = 599, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_N-8R!H-inRing_Ext-8R!H-R_Sp-9R!H=8R!H_Sp-2COS=1CCOOSS", + kinetics = ArrheniusBM(A=(42987.8,'m^3/(mol*s)'), n=1.26781, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-4.050407935327569, var=40.00431313729629, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_N-8R!H-inRing_Ext-8R!H-R_Sp-9R!H=8R!H_Sp-2COS=1CCOOSS',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_N-8R!H-inRing_Ext-8R!H-R_Sp-9R!H=8R!H_Sp-2COS=1CCOOSS + Total Standard Deviation in ln(k): 22.856645822760786"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_N-8R!H-inRing_Ext-8R!H-R_Sp-9R!H=8R!H_Sp-2COS=1CCOOSS +Total Standard Deviation in ln(k): 22.856645822760786""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_N-8R!H-inRing_Ext-8R!H-R_Sp-9R!H=8R!H_Sp-2COS=1CCOOSS +Total Standard Deviation in ln(k): 22.856645822760786 +""", +) + +entry( + index = 600, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_N-8R!H-inRing_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-2COS=1CCOOSS", + kinetics = ArrheniusBM(A=(116300,'m^3/(mol*s)'), n=1.054, w0=(322000,'J/mol'), E0=(32200,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_N-8R!H-inRing_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-2COS=1CCOOSS',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_N-8R!H-inRing_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-2COS=1CCOOSS + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_N-8R!H-inRing_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-2COS=1CCOOSS +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_N-8R!H-inRing_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-2COS=1CCOOSS +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 601, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(3.05396e-25,'m^3/(mol*s)'), n=8.74535, w0=(301000,'J/mol'), E0=(3521.91,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07217324532243927, var=12.20273456860877, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Sp-2R!H=1R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 7.184363119614829"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 7.184363119614829""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 7.184363119614829 +""", +) + +entry( + index = 602, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_N-Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(1.49128,'m^3/(mol*s)'), n=1.82703, w0=(289500,'J/mol'), E0=(78114.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0044006579657455275, var=1.911119029774671, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_N-Sp-2R!H=1R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_N-Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 2.7824674286184927"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 2.7824674286184927""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 2.7824674286184927 +""", +) + +entry( + index = 603, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H", + kinetics = ArrheniusBM(A=(0.00715817,'m^3/(mol*s)'), n=2.39476, w0=(301000,'J/mol'), E0=(62090.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.008358772908926773, var=0.7509711166888308, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H + Total Standard Deviation in ln(k): 1.7582770870528812"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H +Total Standard Deviation in ln(k): 1.7582770870528812""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H +Total Standard Deviation in ln(k): 1.7582770870528812 +""", +) + +entry( + index = 604, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H", + kinetics = ArrheniusBM(A=(0.0145,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(111354,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 605, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.0998612,'m^3/(mol*s)'), n=2.2301, w0=(289500,'J/mol'), E0=(76648.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.00010788233812673554, var=1.5047724953786348, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 2.459462915574"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.459462915574""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.459462915574 +""", +) + +entry( + index = 606, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.00334,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(51962.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 607, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-2R!H=1R!H_Sp-9R!H-2R!H", + kinetics = ArrheniusBM(A=(0.00266,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(54683.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-2R!H=1R!H_Sp-9R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-2R!H=1R!H_Sp-9R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-2R!H=1R!H_Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-2R!H=1R!H_Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 608, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-2R!H=1R!H_N-Sp-9R!H-2R!H", + kinetics = ArrheniusBM(A=(0.00286,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(57664.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-2R!H=1R!H_N-Sp-9R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-2R!H=1R!H_N-Sp-9R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-2R!H=1R!H_N-Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-2R!H=1R!H_N-Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 609, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing", + kinetics = ArrheniusBM(A=(0.000989975,'m^3/(mol*s)'), n=2.7852, w0=(297714,'J/mol'), E0=(69899.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.022815279845394904, var=0.9815527005316381, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing + Total Standard Deviation in ln(k): 2.0434828540741723"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing +Total Standard Deviation in ln(k): 2.0434828540741723""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing +Total Standard Deviation in ln(k): 2.0434828540741723 +""", +) + +entry( + index = 610, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.00979,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(55600.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 611, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_Sp-8R!H-2R!H", + kinetics = ArrheniusBM(A=(0.00778,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(58232.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_Sp-8R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_Sp-8R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 612, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_N-Sp-8R!H-2R!H", + kinetics = ArrheniusBM(A=(0.00837,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(61218.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_N-Sp-8R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_N-Sp-8R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_N-Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_N-Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 613, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(4.52105e-19,'m^3/(mol*s)'), n=7.12078, w0=(289500,'J/mol'), E0=(5214.98,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4463754964797231, var=3.0538542145191294, Tref=1000.0, N=18, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 18 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 4.624877213397167"""), + rank = 11, + shortDesc = """BM rule fitted to 18 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 4.624877213397167""", + longDesc = +""" +BM rule fitted to 18 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 4.624877213397167 +""", +) + +entry( + index = 614, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.343429,'m^3/(mol*s)'), n=2.16251, w0=(289500,'J/mol'), E0=(81315.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.014982811333530641, var=2.426091799998425, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Sp-5R!H=4R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 3.1602039049846153"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 3.1602039049846153""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 3.1602039049846153 +""", +) + +entry( + index = 615, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(3.30879e-23,'m^3/(mol*s)'), n=8.38526, w0=(289500,'J/mol'), E0=(1163.29,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.399454893193071, var=1.727803684525382, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 3.638798507373977"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 3.638798507373977""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 3.638798507373977 +""", +) + +entry( + index = 616, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Sp-5R!H=4R!H_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.0328326,'m^3/(mol*s)'), n=2.33186, w0=(289500,'J/mol'), E0=(83472.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.00021190635023078, var=1.6916722437993545, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Sp-5R!H=4R!H_Ext-7R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Sp-5R!H=4R!H_Ext-7R!H-R + Total Standard Deviation in ln(k): 2.6079770966729248"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Sp-5R!H=4R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 2.6079770966729248""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Sp-5R!H=4R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 2.6079770966729248 +""", +) + +entry( + index = 617, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(8.90655e-05,'m^3/(mol*s)'), n=3.00012, w0=(289500,'J/mol'), E0=(76937.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.05493888208546258, var=1.2256314300846345, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R + Total Standard Deviation in ln(k): 2.357444303689811"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 2.357444303689811""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 2.357444303689811 +""", +) + +entry( + index = 618, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0166,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(71430,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 619, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0141,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(79704.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 620, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(2.60103e-12,'m^3/(mol*s)'), n=5.13586, w0=(280000,'J/mol'), E0=(37170.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.9179724651638168, var=1.7188818924434235, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 4.934794179428062"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 4.934794179428062""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 4.934794179428062 +""", +) + +entry( + index = 621, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R", + kinetics = ArrheniusBM(A=(4.56536e-05,'m^3/(mol*s)'), n=2.86868, w0=(301000,'J/mol'), E0=(49177.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.030258690750466485, var=1.0690655479638165, Tref=1000.0, N=96, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R',), comment="""BM rule fitted to 96 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R + Total Standard Deviation in ln(k): 2.1488352444546317"""), + rank = 11, + shortDesc = """BM rule fitted to 96 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R +Total Standard Deviation in ln(k): 2.1488352444546317""", + longDesc = +""" +BM rule fitted to 96 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R +Total Standard Deviation in ln(k): 2.1488352444546317 +""", +) + +entry( + index = 622, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C", + kinetics = ArrheniusBM(A=(5.82477e-12,'m^3/(mol*s)'), n=4.84422, w0=(301000,'J/mol'), E0=(28338.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2537239430288239, var=0.46055660836432183, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C + Total Standard Deviation in ln(k): 1.9979971952003797"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C +Total Standard Deviation in ln(k): 1.9979971952003797""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C +Total Standard Deviation in ln(k): 1.9979971952003797 +""", +) + +entry( + index = 623, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_N-3R->C", + kinetics = ArrheniusBM(A=(100000,'m^3/(mol*s)'), n=0, w0=(307000,'J/mol'), E0=(77098.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_N-3R->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_N-3R->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_N-3R->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_N-3R->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 624, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H", + kinetics = ArrheniusBM(A=(648.377,'m^3/(mol*s)'), n=0.90682, w0=(323500,'J/mol'), E0=(60817.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.15374806501152655, var=0.9125490600222476, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H + Total Standard Deviation in ln(k): 2.3013736439468224"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H +Total Standard Deviation in ln(k): 2.3013736439468224""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H +Total Standard Deviation in ln(k): 2.3013736439468224 +""", +) + +entry( + index = 625, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_N-2R!H->C_N-Sp-5R!H-1R!H", + kinetics = ArrheniusBM(A=(0.971,'m^3/(mol*s)'), n=1.95, w0=(323500,'J/mol'), E0=(71123.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_N-2R!H->C_N-Sp-5R!H-1R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_N-2R!H->C_N-Sp-5R!H-1R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_N-2R!H->C_N-Sp-5R!H-1R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_N-2R!H->C_N-Sp-5R!H-1R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 626, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(4.77859e-09,'m^3/(mol*s)'), n=4.18628, w0=(289500,'J/mol'), E0=(10010,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.16831306741018787, var=2.956887660155996, Tref=1000.0, N=18, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 18 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 3.870160025698583"""), + rank = 11, + shortDesc = """BM rule fitted to 18 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 3.870160025698583""", + longDesc = +""" +BM rule fitted to 18 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 3.870160025698583 +""", +) + +entry( + index = 627, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(1.23683e-14,'m^3/(mol*s)'), n=5.85387, w0=(289500,'J/mol'), E0=(-9775.31,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4478612835476583, var=0.9415888012049385, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 3.0705842872895603"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 3.0705842872895603""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 3.0705842872895603 +""", +) + +entry( + index = 628, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.257294,'m^3/(mol*s)'), n=2.17495, w0=(289500,'J/mol'), E0=(65542.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.017630061351877096, var=1.3520434728832704, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-3R-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-3R-R + Total Standard Deviation in ln(k): 2.3753505457589976"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 2.3753505457589976""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 2.3753505457589976 +""", +) + +entry( + index = 629, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-5R!H-R_Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(8.36881e-15,'m^3/(mol*s)'), n=5.7176, w0=(289500,'J/mol'), E0=(5597.89,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.38178040174528066, var=0.5172426087385172, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-5R!H-R_Sp-6R!H=5R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-5R!H-R_Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 2.401044302279129"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-5R!H-R_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 2.401044302279129""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-5R!H-R_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 2.401044302279129 +""", +) + +entry( + index = 630, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(7.59695e-14,'m^3/(mol*s)'), n=5.56999, w0=(289500,'J/mol'), E0=(16512.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.16127888751793762, var=1.032669108154441, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 2.4424416984973774"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 2.4424416984973774""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 2.4424416984973774 +""", +) + +entry( + index = 631, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-3R-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.00835,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(51154.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-3R-R_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-3R-R_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 632, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(1.0478e+08,'m^3/(mol*s)'), n=-0.639035, w0=(298536,'J/mol'), E0=(92682.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.8397799363589913, var=7.6017893107340155, Tref=1000.0, N=28, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R',), comment="""BM rule fitted to 28 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 7.637323598049485"""), + rank = 11, + shortDesc = """BM rule fitted to 28 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 7.637323598049485""", + longDesc = +""" +BM rule fitted to 28 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 7.637323598049485 +""", +) + +entry( + index = 633, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Sp-2CO=1C", + kinetics = ArrheniusBM(A=(0.00262009,'m^3/(mol*s)'), n=2.41004, w0=(301000,'J/mol'), E0=(53302,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1554687409572518, var=0.9345806661612105, Tref=1000.0, N=14, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Sp-2CO=1C',), comment="""BM rule fitted to 14 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Sp-2CO=1C + Total Standard Deviation in ln(k): 2.32867679959491"""), + rank = 11, + shortDesc = """BM rule fitted to 14 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Sp-2CO=1C +Total Standard Deviation in ln(k): 2.32867679959491""", + longDesc = +""" +BM rule fitted to 14 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Sp-2CO=1C +Total Standard Deviation in ln(k): 2.32867679959491 +""", +) + +entry( + index = 634, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_N-Sp-2CO=1C", + kinetics = ArrheniusBM(A=(1.09575e-11,'m^3/(mol*s)'), n=5.02007, w0=(289500,'J/mol'), E0=(15242.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3187225585297463, var=0.5365724472503073, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_N-Sp-2CO=1C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_N-Sp-2CO=1C + Total Standard Deviation in ln(k): 2.2693010572299386"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_N-Sp-2CO=1C +Total Standard Deviation in ln(k): 2.2693010572299386""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_N-Sp-2CO=1C +Total Standard Deviation in ln(k): 2.2693010572299386 +""", +) + +entry( + index = 635, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_N-3R->S_Sp-2CO=1C", + kinetics = ArrheniusBM(A=(1.26738e-15,'m^3/(mol*s)'), n=5.88216, w0=(317417,'J/mol'), E0=(-3392.98,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3792047968180813, var=4.692952734924349, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_N-3R->S_Sp-2CO=1C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_N-3R->S_Sp-2CO=1C + Total Standard Deviation in ln(k): 5.295678372935117"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_N-3R->S_Sp-2CO=1C +Total Standard Deviation in ln(k): 5.295678372935117""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_N-3R->S_Sp-2CO=1C +Total Standard Deviation in ln(k): 5.295678372935117 +""", +) + +entry( + index = 636, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_N-3R->S_N-Sp-2CO=1C", + kinetics = ArrheniusBM(A=(0.000300787,'m^3/(mol*s)'), n=2.68225, w0=(290700,'J/mol'), E0=(51286.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.006540852574926764, var=1.0341035890560888, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_N-3R->S_N-Sp-2CO=1C',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_N-3R->S_N-Sp-2CO=1C + Total Standard Deviation in ln(k): 2.055067125195541"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_N-3R->S_N-Sp-2CO=1C +Total Standard Deviation in ln(k): 2.055067125195541""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_N-3R->S_N-Sp-2CO=1C +Total Standard Deviation in ln(k): 2.055067125195541 +""", +) + +entry( + index = 637, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_N-1R!H->C_3R->C_Ext-3C-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(3.62e-05,'m^3/(mol*s)'), n=3.1, w0=(286500,'J/mol'), E0=(20721,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_N-1R!H->C_3R->C_Ext-3C-R_Ext-3C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_N-1R!H->C_3R->C_Ext-3C-R_Ext-3C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_N-1R!H->C_3R->C_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_N-1R!H->C_3R->C_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 638, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_3R->S_1R!H->C_2CNS->C", + kinetics = ArrheniusBM(A=(4.21e-06,'m^3/(mol*s)'), n=3.3, w0=(264000,'J/mol'), E0=(62986.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_3R->S_1R!H->C_2CNS->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_3R->S_1R!H->C_2CNS->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_3R->S_1R!H->C_2CNS->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_3R->S_1R!H->C_2CNS->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 639, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_3R->S_1R!H->C_N-2CNS->C", + kinetics = ArrheniusBM(A=(3.19e-05,'m^3/(mol*s)'), n=3, w0=(286500,'J/mol'), E0=(61852.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_3R->S_1R!H->C_N-2CNS->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_3R->S_1R!H->C_N-2CNS->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_3R->S_1R!H->C_N-2CNS->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_3R->S_1R!H->C_N-2CNS->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 640, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_Ext-2CNS-R", + kinetics = ArrheniusBM(A=(9.99778e-16,'m^3/(mol*s)'), n=6.19349, w0=(305500,'J/mol'), E0=(8709.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04899590138295173, var=1.5342310779804613, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_Ext-2CNS-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_Ext-2CNS-R + Total Standard Deviation in ln(k): 2.6062519775833977"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_Ext-2CNS-R +Total Standard Deviation in ln(k): 2.6062519775833977""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_Ext-2CNS-R +Total Standard Deviation in ln(k): 2.6062519775833977 +""", +) + +entry( + index = 641, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_2CNS->C", + kinetics = ArrheniusBM(A=(5.20826e-08,'m^3/(mol*s)'), n=4.05352, w0=(305800,'J/mol'), E0=(41894.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1855295209783601, var=0.4080403066094532, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_2CNS->C',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_2CNS->C + Total Standard Deviation in ln(k): 1.7467399043104908"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_2CNS->C +Total Standard Deviation in ln(k): 1.7467399043104908""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_2CNS->C +Total Standard Deviation in ln(k): 1.7467399043104908 +""", +) + +entry( + index = 642, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_N-2CNS->C", + kinetics = ArrheniusBM(A=(0.00333177,'m^3/(mol*s)'), n=2.51948, w0=(309000,'J/mol'), E0=(42756.3,'J/mol'), Tmin=(300,'K'), Tmax=(3000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_N-2CNS->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_N-2CNS->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_N-2CNS->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_N-2CNS->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 643, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_Ext-1CS-R_2CS->C_Sp-2C=1CS_Sp-4R!H-1CS", + kinetics = ArrheniusBM(A=(21609,'m^3/(mol*s)'), n=0.890505, w0=(285500,'J/mol'), E0=(1352.24,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.8994258662693768, var=0.19615965509855238, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_Ext-1CS-R_2CS->C_Sp-2C=1CS_Sp-4R!H-1CS',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_Ext-1CS-R_2CS->C_Sp-2C=1CS_Sp-4R!H-1CS + Total Standard Deviation in ln(k): 5.66032225696144"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_Ext-1CS-R_2CS->C_Sp-2C=1CS_Sp-4R!H-1CS +Total Standard Deviation in ln(k): 5.66032225696144""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_Ext-1CS-R_2CS->C_Sp-2C=1CS_Sp-4R!H-1CS +Total Standard Deviation in ln(k): 5.66032225696144 +""", +) + +entry( + index = 644, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_Ext-1CS-R_2CS->C_Sp-2C=1CS_N-Sp-4R!H-1CS", + kinetics = ArrheniusBM(A=(0.04161,'m^3/(mol*s)'), n=2.487, w0=(307000,'J/mol'), E0=(30700,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_Ext-1CS-R_2CS->C_Sp-2C=1CS_N-Sp-4R!H-1CS',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_Ext-1CS-R_2CS->C_Sp-2C=1CS_N-Sp-4R!H-1CS + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_Ext-1CS-R_2CS->C_Sp-2C=1CS_N-Sp-4R!H-1CS +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_Ext-1CS-R_2CS->C_Sp-2C=1CS_N-Sp-4R!H-1CS +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 645, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_Ext-2CS-R_3OS-u1_Sp-2CS=1C", + kinetics = ArrheniusBM(A=(1305.23,'m^3/(mol*s)'), n=1.09988, w0=(307000,'J/mol'), E0=(-307.409,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.051669863063861496, var=0.1870875943189753, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_Ext-2CS-R_3OS-u1_Sp-2CS=1C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_Ext-2CS-R_3OS-u1_Sp-2CS=1C + Total Standard Deviation in ln(k): 0.9969443384674724"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_Ext-2CS-R_3OS-u1_Sp-2CS=1C +Total Standard Deviation in ln(k): 0.9969443384674724""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_Ext-2CS-R_3OS-u1_Sp-2CS=1C +Total Standard Deviation in ln(k): 0.9969443384674724 +""", +) + +entry( + index = 646, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_Ext-2CS-R_3OS-u1_N-Sp-2CS=1C", + kinetics = ArrheniusBM(A=(65.08,'m^3/(mol*s)'), n=1.628, w0=(295500,'J/mol'), E0=(29550,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_Ext-2CS-R_3OS-u1_N-Sp-2CS=1C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_Ext-2CS-R_3OS-u1_N-Sp-2CS=1C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_Ext-2CS-R_3OS-u1_N-Sp-2CS=1C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_Ext-2CS-R_3OS-u1_N-Sp-2CS=1C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 647, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_3OS-u1_Sp-2CS=1C_3OS->O", + kinetics = ArrheniusBM(A=(2.71e+06,'m^3/(mol*s)'), n=0, w0=(307000,'J/mol'), E0=(26053,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_3OS-u1_Sp-2CS=1C_3OS->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_3OS-u1_Sp-2CS=1C_3OS->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_3OS-u1_Sp-2CS=1C_3OS->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_3OS-u1_Sp-2CS=1C_3OS->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 648, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_3OS-u1_Sp-2CS=1C_N-3OS->O", + kinetics = ArrheniusBM(A=(3.49474,'m^3/(mol*s)'), n=1.81556, w0=(275250,'J/mol'), E0=(18707.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.9177532273833771, var=0.06051100349855445, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_3OS-u1_Sp-2CS=1C_N-3OS->O',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_3OS-u1_Sp-2CS=1C_N-3OS->O + Total Standard Deviation in ln(k): 2.7990571011667074"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_3OS-u1_Sp-2CS=1C_N-3OS->O +Total Standard Deviation in ln(k): 2.7990571011667074""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_3OS-u1_Sp-2CS=1C_N-3OS->O +Total Standard Deviation in ln(k): 2.7990571011667074 +""", +) + +entry( + index = 649, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_Ext-2COS-R_Ext-8R!H-R_Sp-10R!H#8R!H_Ext-9R!H-R_Sp-11R!H=9R!H", + kinetics = ArrheniusBM(A=(15.4,'m^3/(mol*s)'), n=1.64, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_Ext-2COS-R_Ext-8R!H-R_Sp-10R!H#8R!H_Ext-9R!H-R_Sp-11R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_Ext-2COS-R_Ext-8R!H-R_Sp-10R!H#8R!H_Ext-9R!H-R_Sp-11R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_Ext-2COS-R_Ext-8R!H-R_Sp-10R!H#8R!H_Ext-9R!H-R_Sp-11R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_Ext-2COS-R_Ext-8R!H-R_Sp-10R!H#8R!H_Ext-9R!H-R_Sp-11R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 650, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_Ext-2COS-R_Ext-8R!H-R_Sp-10R!H#8R!H_Ext-9R!H-R_N-Sp-11R!H=9R!H", + kinetics = ArrheniusBM(A=(45.6,'m^3/(mol*s)'), n=1.64, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_Ext-2COS-R_Ext-8R!H-R_Sp-10R!H#8R!H_Ext-9R!H-R_N-Sp-11R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_Ext-2COS-R_Ext-8R!H-R_Sp-10R!H#8R!H_Ext-9R!H-R_N-Sp-11R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_Ext-2COS-R_Ext-8R!H-R_Sp-10R!H#8R!H_Ext-9R!H-R_N-Sp-11R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_Ext-2COS-R_Ext-8R!H-R_Sp-10R!H#8R!H_Ext-9R!H-R_N-Sp-11R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 651, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Sp-2R!H=1R!H_Sp-8R!H-1R!H", + kinetics = ArrheniusBM(A=(0.00971881,'m^3/(mol*s)'), n=2.24464, w0=(301000,'J/mol'), E0=(60780.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.004086167061120997, var=0.49682792436340806, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Sp-2R!H=1R!H_Sp-8R!H-1R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Sp-2R!H=1R!H_Sp-8R!H-1R!H + Total Standard Deviation in ln(k): 1.4233247514598613"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Sp-2R!H=1R!H_Sp-8R!H-1R!H +Total Standard Deviation in ln(k): 1.4233247514598613""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Sp-2R!H=1R!H_Sp-8R!H-1R!H +Total Standard Deviation in ln(k): 1.4233247514598613 +""", +) + +entry( + index = 652, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H", + kinetics = ArrheniusBM(A=(0.00494,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(108857,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 653, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_N-Sp-2R!H=1R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.469365,'m^3/(mol*s)'), n=1.93621, w0=(289500,'J/mol'), E0=(78738.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.00016153115716042323, var=1.5075690938253237, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_N-Sp-2R!H=1R!H_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_N-Sp-2R!H=1R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 2.4618818375185567"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_N-Sp-2R!H=1R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.4618818375185567""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_N-Sp-2R!H=1R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.4618818375185567 +""", +) + +entry( + index = 654, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.00306402,'m^3/(mol*s)'), n=2.51045, w0=(301000,'J/mol'), E0=(59150.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.004294461481169441, var=0.46069558161990276, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.3714952055050993"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.3714952055050993""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.3714952055050993 +""", +) + +entry( + index = 655, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.0137,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(74056.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 656, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.0379,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(75306.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 657, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(0.000341303,'m^3/(mol*s)'), n=2.89149, w0=(301000,'J/mol'), E0=(67075.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.034499676324448086, var=0.10430840632485314, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 0.7341481222179538"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 0.7341481222179538""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 0.7341481222179538 +""", +) + +entry( + index = 658, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(0.00789527,'m^3/(mol*s)'), n=2.59215, w0=(289500,'J/mol'), E0=(76271.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=4.32775926716892e-05, var=16.265639545936455, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 8.085342137110404"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 8.085342137110404""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 8.085342137110404 +""", +) + +entry( + index = 659, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(6.23785e-08,'m^3/(mol*s)'), n=3.81966, w0=(289500,'J/mol'), E0=(71230,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.17679673989809194, var=1.1687216670393634, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 2.6114805079007977"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 2.6114805079007977""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 2.6114805079007977 +""", +) + +entry( + index = 660, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(2.16758e-08,'m^3/(mol*s)'), n=4.26648, w0=(289500,'J/mol'), E0=(57173.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2470069663753619, var=1.2231565274439222, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 2.8377854870002714"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 2.8377854870002714""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 2.8377854870002714 +""", +) + +entry( + index = 661, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.0531828,'m^3/(mol*s)'), n=2.3629, w0=(289500,'J/mol'), E0=(79292.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.004321931737795818, var=7.209876953824359, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-7R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-7R!H-R + Total Standard Deviation in ln(k): 5.393816190482627"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 5.393816190482627""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 5.393816190482627 +""", +) + +entry( + index = 662, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(3.81884e-23,'m^3/(mol*s)'), n=8.33376, w0=(289500,'J/mol'), E0=(9404.41,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3231029464588274, var=2.9115611082123443, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R + Total Standard Deviation in ln(k): 4.232555488651955"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 4.232555488651955""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 4.232555488651955 +""", +) + +entry( + index = 663, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0442,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(74052.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 664, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0375,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(82327.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 665, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Sp-5R!H=4R!H_Ext-7R!H-R_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00679,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(78623.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Sp-5R!H=4R!H_Ext-7R!H-R_Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Sp-5R!H=4R!H_Ext-7R!H-R_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Sp-5R!H=4R!H_Ext-7R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Sp-5R!H=4R!H_Ext-7R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 666, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.0188,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(79458.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 667, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.000107326,'m^3/(mol*s)'), n=2.93012, w0=(289500,'J/mol'), E0=(78580.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.01436529470036263, var=2.390588085372499, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-8R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 3.1357202019977963"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 3.1357202019977963""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 3.1357202019977963 +""", +) + +entry( + index = 668, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(1.1745e-05,'m^3/(mol*s)'), n=3.29882, w0=(289500,'J/mol'), E0=(73171.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.014855507361973155, var=2.3026985188237092, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 3.0794397138796534"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 3.0794397138796534""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 3.0794397138796534 +""", +) + +entry( + index = 669, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_1R!H-inRing", + kinetics = ArrheniusBM(A=(0.00089094,'m^3/(mol*s)'), n=2.58533, w0=(259000,'J/mol'), E0=(52635.4,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_1R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_1R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_1R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_1R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 670, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-1R!H-inRing", + kinetics = ArrheniusBM(A=(0.000556,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-1R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-1R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-1R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-1R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 671, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H", + kinetics = ArrheniusBM(A=(5.13741e-12,'m^3/(mol*s)'), n=4.79657, w0=(301000,'J/mol'), E0=(5337.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2261243208649358, var=0.32497245617338555, Tref=1000.0, N=27, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H',), comment="""BM rule fitted to 27 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H + Total Standard Deviation in ln(k): 1.7109779640196874"""), + rank = 11, + shortDesc = """BM rule fitted to 27 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H +Total Standard Deviation in ln(k): 1.7109779640196874""", + longDesc = +""" +BM rule fitted to 27 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H +Total Standard Deviation in ln(k): 1.7109779640196874 +""", +) + +entry( + index = 672, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_N-Sp-5R!H-1R!H", + kinetics = ArrheniusBM(A=(1.10291e-10,'m^3/(mol*s)'), n=4.57641, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.20528035565675207, var=0.4064687645059009, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_N-Sp-5R!H-1R!H',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_N-Sp-5R!H-1R!H + Total Standard Deviation in ln(k): 1.7938966902769249"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_N-Sp-5R!H-1R!H +Total Standard Deviation in ln(k): 1.7938966902769249""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_N-Sp-5R!H-1R!H +Total Standard Deviation in ln(k): 1.7938966902769249 +""", +) + +entry( + index = 673, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_Sp-5R!H-1R!H", + kinetics = ArrheniusBM(A=(1.78594e-12,'m^3/(mol*s)'), n=4.92238, w0=(301000,'J/mol'), E0=(13756.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2402072559533738, var=0.2766784973520448, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_Sp-5R!H-1R!H',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_Sp-5R!H-1R!H + Total Standard Deviation in ln(k): 1.658031228735119"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_Sp-5R!H-1R!H +Total Standard Deviation in ln(k): 1.658031228735119""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_Sp-5R!H-1R!H +Total Standard Deviation in ln(k): 1.658031228735119 +""", +) + +entry( + index = 674, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_N-Sp-5R!H-1R!H", + kinetics = ArrheniusBM(A=(2.6882e-13,'m^3/(mol*s)'), n=5.2926, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.273143706680528, var=0.3893393233020957, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_N-Sp-5R!H-1R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_N-Sp-5R!H-1R!H + Total Standard Deviation in ln(k): 1.9371864912936194"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_N-Sp-5R!H-1R!H +Total Standard Deviation in ln(k): 1.9371864912936194""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_N-Sp-5R!H-1R!H +Total Standard Deviation in ln(k): 1.9371864912936194 +""", +) + +entry( + index = 675, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H_5R!H->O", + kinetics = ArrheniusBM(A=(0.00165,'m^3/(mol*s)'), n=2.54, w0=(323500,'J/mol'), E0=(49781.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H_5R!H->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H_5R!H->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H_5R!H->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H_5R!H->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 676, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H_N-5R!H->O", + kinetics = ArrheniusBM(A=(887.945,'m^3/(mol*s)'), n=0.844511, w0=(323500,'J/mol'), E0=(58362.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.19543407596013598, var=1.6076719124119314, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H_N-5R!H->O',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H_N-5R!H->O + Total Standard Deviation in ln(k): 3.032924240289897"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H_N-5R!H->O +Total Standard Deviation in ln(k): 3.032924240289897""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H_N-5R!H->O +Total Standard Deviation in ln(k): 3.032924240289897 +""", +) + +entry( + index = 677, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(4.34916e-10,'m^3/(mol*s)'), n=4.32362, w0=(289500,'J/mol'), E0=(-4577.32,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.18132727261960072, var=0.6156358511090345, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 2.0285607332231232"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 2.0285607332231232""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 2.0285607332231232 +""", +) + +entry( + index = 678, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(5.25043e-08,'m^3/(mol*s)'), n=4.04893, w0=(289500,'J/mol'), E0=(-4043.43,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.15529886140856639, var=0.6131930407112612, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 1.9600388932492478"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 1.9600388932492478""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 1.9600388932492478 +""", +) + +entry( + index = 679, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-7R!H=5R!H", + kinetics = ArrheniusBM(A=(4.08035e-15,'m^3/(mol*s)'), n=5.92849, w0=(289500,'J/mol'), E0=(8232.61,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3929553568179794, var=0.5143494237365032, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-7R!H=5R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-7R!H=5R!H + Total Standard Deviation in ln(k): 2.4250840944689727"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 2.4250840944689727""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 2.4250840944689727 +""", +) + +entry( + index = 680, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-7R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000291312,'m^3/(mol*s)'), n=2.98578, w0=(289500,'J/mol'), E0=(57993.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1684821686367922, var=1.128973813248579, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-7R!H=5R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-7R!H=5R!H + Total Standard Deviation in ln(k): 2.553416790017468"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 2.553416790017468""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 2.553416790017468 +""", +) + +entry( + index = 681, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-3R-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.0222,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(53830.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-3R-R_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-3R-R_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 682, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3R-R", + kinetics = ArrheniusBM(A=(3.98008e-14,'m^3/(mol*s)'), n=5.52301, w0=(289500,'J/mol'), E0=(20316.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.01919063687396042, var=1.239114468356021, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3R-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3R-R + Total Standard Deviation in ln(k): 2.279798928758938"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3R-R +Total Standard Deviation in ln(k): 2.279798928758938""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3R-R +Total Standard Deviation in ln(k): 2.279798928758938 +""", +) + +entry( + index = 683, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.000302264,'m^3/(mol*s)'), n=2.86229, w0=(289500,'J/mol'), E0=(60350.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.02013380523700533, var=1.215829063084737, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-3R-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-3R-R + Total Standard Deviation in ln(k): 2.2611013478889195"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-3R-R +Total Standard Deviation in ln(k): 2.2611013478889195""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-3R-R +Total Standard Deviation in ln(k): 2.2611013478889195 +""", +) + +entry( + index = 684, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Sp-2CO=1C_5R!H->C", + kinetics = ArrheniusBM(A=(0.754533,'m^3/(mol*s)'), n=1.65467, w0=(301000,'J/mol'), E0=(55387.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.18478400395520994, var=0.9499895671401184, Tref=1000.0, N=13, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Sp-2CO=1C_5R!H->C',), comment="""BM rule fitted to 13 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Sp-2CO=1C_5R!H->C + Total Standard Deviation in ln(k): 2.418244739231704"""), + rank = 11, + shortDesc = """BM rule fitted to 13 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Sp-2CO=1C_5R!H->C +Total Standard Deviation in ln(k): 2.418244739231704""", + longDesc = +""" +BM rule fitted to 13 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Sp-2CO=1C_5R!H->C +Total Standard Deviation in ln(k): 2.418244739231704 +""", +) + +entry( + index = 685, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Sp-2CO=1C_N-5R!H->C", + kinetics = ArrheniusBM(A=(0.001071,'m^3/(mol*s)'), n=2.72, w0=(301000,'J/mol'), E0=(72703,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Sp-2CO=1C_N-5R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Sp-2CO=1C_N-5R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Sp-2CO=1C_N-5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Sp-2CO=1C_N-5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 686, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_N-Sp-2CO=1C_Ext-3R-R", + kinetics = ArrheniusBM(A=(9.58603e-11,'m^3/(mol*s)'), n=4.73848, w0=(289500,'J/mol'), E0=(19764.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.024321391181922287, var=1.1458058817585983, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_N-Sp-2CO=1C_Ext-3R-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_N-Sp-2CO=1C_Ext-3R-R + Total Standard Deviation in ln(k): 2.2070240109517796"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_N-Sp-2CO=1C_Ext-3R-R +Total Standard Deviation in ln(k): 2.2070240109517796""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_N-Sp-2CO=1C_Ext-3R-R +Total Standard Deviation in ln(k): 2.2070240109517796 +""", +) + +entry( + index = 687, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_N-3R->S_Sp-2CO=1C_3CO->C", + kinetics = ArrheniusBM(A=(1.47785e-15,'m^3/(mol*s)'), n=5.87211, w0=(319500,'J/mol'), E0=(-1047.77,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.0114470382281189, var=8.216490070171186, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_N-3R->S_Sp-2CO=1C_3CO->C',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_N-3R->S_Sp-2CO=1C_3CO->C + Total Standard Deviation in ln(k): 8.28778115704949"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_N-3R->S_Sp-2CO=1C_3CO->C +Total Standard Deviation in ln(k): 8.28778115704949""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_N-3R->S_Sp-2CO=1C_3CO->C +Total Standard Deviation in ln(k): 8.28778115704949 +""", +) + +entry( + index = 688, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_N-3R->S_Sp-2CO=1C_N-3CO->C", + kinetics = ArrheniusBM(A=(100000,'m^3/(mol*s)'), n=0, w0=(307000,'J/mol'), E0=(85808.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_N-3R->S_Sp-2CO=1C_N-3CO->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_N-3R->S_Sp-2CO=1C_N-3CO->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_N-3R->S_Sp-2CO=1C_N-3CO->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_N-3R->S_Sp-2CO=1C_N-3CO->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 689, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_N-3R->S_N-Sp-2CO=1C_3CO->C", + kinetics = ArrheniusBM(A=(0.145521,'m^3/(mol*s)'), n=1.92108, w0=(289500,'J/mol'), E0=(58775.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.020935096550885983, var=1.1716961115937874, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_N-3R->S_N-Sp-2CO=1C_3CO->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_N-3R->S_N-Sp-2CO=1C_3CO->C + Total Standard Deviation in ln(k): 2.222624478615241"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_N-3R->S_N-Sp-2CO=1C_3CO->C +Total Standard Deviation in ln(k): 2.222624478615241""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_N-3R->S_N-Sp-2CO=1C_3CO->C +Total Standard Deviation in ln(k): 2.222624478615241 +""", +) + +entry( + index = 690, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_N-3R->S_N-Sp-2CO=1C_N-3CO->C", + kinetics = ArrheniusBM(A=(520000,'m^3/(mol*s)'), n=0, w0=(295500,'J/mol'), E0=(29550,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_N-3R->S_N-Sp-2CO=1C_N-3CO->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_N-3R->S_N-Sp-2CO=1C_N-3CO->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_N-3R->S_N-Sp-2CO=1C_N-3CO->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_N-3R->S_N-Sp-2CO=1C_N-3CO->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 691, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_Ext-2CNS-R_Ext-2CNS-R", + kinetics = ArrheniusBM(A=(3.55985e-06,'m^3/(mol*s)'), n=3.48077, w0=(307000,'J/mol'), E0=(31659.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.020096497205268505, var=1.5478207392653665, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_Ext-2CNS-R_Ext-2CNS-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_Ext-2CNS-R_Ext-2CNS-R + Total Standard Deviation in ln(k): 2.5446135692875336"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_Ext-2CNS-R_Ext-2CNS-R +Total Standard Deviation in ln(k): 2.5446135692875336""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_Ext-2CNS-R_Ext-2CNS-R +Total Standard Deviation in ln(k): 2.5446135692875336 +""", +) + +entry( + index = 692, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_Ext-2CNS-R_3CO->C", + kinetics = ArrheniusBM(A=(0.0189934,'m^3/(mol*s)'), n=2.33435, w0=(301000,'J/mol'), E0=(71102,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.0348907405361862, var=2.7512770325416556, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_Ext-2CNS-R_3CO->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_Ext-2CNS-R_3CO->C + Total Standard Deviation in ln(k): 5.925476832385444"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_Ext-2CNS-R_3CO->C +Total Standard Deviation in ln(k): 5.925476832385444""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_Ext-2CNS-R_3CO->C +Total Standard Deviation in ln(k): 5.925476832385444 +""", +) + +entry( + index = 693, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_Ext-2CNS-R_N-3CO->C", + kinetics = ArrheniusBM(A=(9.08499e-05,'m^3/(mol*s)'), n=3.08628, w0=(307000,'J/mol'), E0=(41030.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.004750852604738474, var=0.11831190329511665, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_Ext-2CNS-R_N-3CO->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_Ext-2CNS-R_N-3CO->C + Total Standard Deviation in ln(k): 0.701495464235196"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_Ext-2CNS-R_N-3CO->C +Total Standard Deviation in ln(k): 0.701495464235196""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_Ext-2CNS-R_N-3CO->C +Total Standard Deviation in ln(k): 0.701495464235196 +""", +) + +entry( + index = 694, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_2CNS->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.03172e-07,'m^3/(mol*s)'), n=3.93481, w0=(307000,'J/mol'), E0=(39512,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.20590051694599146, var=0.36107320928612047, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_2CNS->C_Ext-1C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_2CNS->C_Ext-1C-R + Total Standard Deviation in ln(k): 1.7219706113859112"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_2CNS->C_Ext-1C-R +Total Standard Deviation in ln(k): 1.7219706113859112""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_2CNS->C_Ext-1C-R +Total Standard Deviation in ln(k): 1.7219706113859112 +""", +) + +entry( + index = 695, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_2CNS->C_3CO->C", + kinetics = ArrheniusBM(A=(24100,'m^3/(mol*s)'), n=0, w0=(301000,'J/mol'), E0=(61586.2,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_2CNS->C_3CO->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_2CNS->C_3CO->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_2CNS->C_3CO->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_2CNS->C_3CO->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 696, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_2CNS->C_N-3CO->C", + kinetics = ArrheniusBM(A=(3.56e-05,'m^3/(mol*s)'), n=3.22, w0=(307000,'J/mol'), E0=(49103.6,'J/mol'), Tmin=(400,'K'), Tmax=(1100,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_2CNS->C_N-3CO->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_2CNS->C_N-3CO->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_2CNS->C_N-3CO->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_2CNS->C_N-3CO->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 697, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_Ext-1CS-R_2CS->C_Sp-2C=1CS_Sp-4R!H-1CS_Ext-2C-R", + kinetics = ArrheniusBM(A=(0.128,'m^3/(mol*s)'), n=2.39, w0=(264000,'J/mol'), E0=(8864.64,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_Ext-1CS-R_2CS->C_Sp-2C=1CS_Sp-4R!H-1CS_Ext-2C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_Ext-1CS-R_2CS->C_Sp-2C=1CS_Sp-4R!H-1CS_Ext-2C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_Ext-1CS-R_2CS->C_Sp-2C=1CS_Sp-4R!H-1CS_Ext-2C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_Ext-1CS-R_2CS->C_Sp-2C=1CS_Sp-4R!H-1CS_Ext-2C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 698, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_Ext-2CS-R_3OS-u1_Sp-2CS=1C_Sp-4R!H-2CS", + kinetics = ArrheniusBM(A=(97161.6,'m^3/(mol*s)'), n=0.447213, w0=(307000,'J/mol'), E0=(-16502.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.4970764228925182, var=0.04657478633476765, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_Ext-2CS-R_3OS-u1_Sp-2CS=1C_Sp-4R!H-2CS',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_Ext-2CS-R_3OS-u1_Sp-2CS=1C_Sp-4R!H-2CS + Total Standard Deviation in ln(k): 4.194144283187987"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_Ext-2CS-R_3OS-u1_Sp-2CS=1C_Sp-4R!H-2CS +Total Standard Deviation in ln(k): 4.194144283187987""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_Ext-2CS-R_3OS-u1_Sp-2CS=1C_Sp-4R!H-2CS +Total Standard Deviation in ln(k): 4.194144283187987 +""", +) + +entry( + index = 699, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_Ext-2CS-R_3OS-u1_Sp-2CS=1C_N-Sp-4R!H-2CS", + kinetics = ArrheniusBM(A=(0.9865,'m^3/(mol*s)'), n=2.037, w0=(307000,'J/mol'), E0=(26128.5,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_Ext-2CS-R_3OS-u1_Sp-2CS=1C_N-Sp-4R!H-2CS',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_Ext-2CS-R_3OS-u1_Sp-2CS=1C_N-Sp-4R!H-2CS + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_Ext-2CS-R_3OS-u1_Sp-2CS=1C_N-Sp-4R!H-2CS +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_Ext-2CS-R_3OS-u1_Sp-2CS=1C_N-Sp-4R!H-2CS +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 700, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_3OS-u1_Sp-2CS=1C_N-3OS->O_2CS->C", + kinetics = ArrheniusBM(A=(0.00249,'m^3/(mol*s)'), n=2.7, w0=(264000,'J/mol'), E0=(8787.64,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_3OS-u1_Sp-2CS=1C_N-3OS->O_2CS->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_3OS-u1_Sp-2CS=1C_N-3OS->O_2CS->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_3OS-u1_Sp-2CS=1C_N-3OS->O_2CS->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_3OS-u1_Sp-2CS=1C_N-3OS->O_2CS->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 701, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_3OS-u1_Sp-2CS=1C_N-3OS->O_N-2CS->C", + kinetics = ArrheniusBM(A=(0.0146,'m^3/(mol*s)'), n=2.5, w0=(286500,'J/mol'), E0=(19864.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_3OS-u1_Sp-2CS=1C_N-3OS->O_N-2CS->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_3OS-u1_Sp-2CS=1C_N-3OS->O_N-2CS->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_3OS-u1_Sp-2CS=1C_N-3OS->O_N-2CS->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->N_N-3NOS->N_1CS->C_3OS-u1_Sp-2CS=1C_N-3OS->O_N-2CS->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 702, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.0058817,'m^3/(mol*s)'), n=2.31708, w0=(301000,'J/mol'), E0=(58817.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.005999411118754137, var=0.5068284881348897, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.4422826432582034"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.4422826432582034""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.4422826432582034 +""", +) + +entry( + index = 703, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-10R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00467,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(71096.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-10R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-10R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 704, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H", + kinetics = ArrheniusBM(A=(0.013,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(72394.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 705, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.0049,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(55239.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 706, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00541,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(60141.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 707, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(6.33308e-05,'m^3/(mol*s)'), n=3.12035, w0=(301000,'J/mol'), E0=(66788.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04648511889451075, var=0.2716609634554164, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 1.1616868650591439"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.1616868650591439""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.1616868650591439 +""", +) + +entry( + index = 708, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00874,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(65583.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 709, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.0113,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(67351.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 710, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00806,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(77888.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 711, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.107,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(75646.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 712, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.000984892,'m^3/(mol*s)'), n=2.9822, w0=(289500,'J/mol'), E0=(71246.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.030649432269445658, var=2.24053590813859, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_Sp-5R!H=4R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 3.0777802430987156"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 3.0777802430987156""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 3.0777802430987156 +""", +) + +entry( + index = 713, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(1.5904e-16,'m^3/(mol*s)'), n=6.53113, w0=(289500,'J/mol'), E0=(10693.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.215355655222118, var=1.2014884809141833, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 2.7385334443802924"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 2.7385334443802924""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 2.7385334443802924 +""", +) + +entry( + index = 714, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H", + kinetics = ArrheniusBM(A=(0.018,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(80701.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 715, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H", + kinetics = ArrheniusBM(A=(0.05,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(73325,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 716, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00238258,'m^3/(mol*s)'), n=2.62931, w0=(289500,'J/mol'), E0=(81036.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.013891719444489052, var=2.4203144440266464, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H + Total Standard Deviation in ln(k): 3.1537423109079437"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H +Total Standard Deviation in ln(k): 3.1537423109079437""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H +Total Standard Deviation in ln(k): 3.1537423109079437 +""", +) + +entry( + index = 717, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H", + kinetics = ArrheniusBM(A=(0.000344743,'m^3/(mol*s)'), n=2.98456, w0=(289500,'J/mol'), E0=(69908.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.013354531855441148, var=2.576786773598482, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H + Total Standard Deviation in ln(k): 3.251629613179111"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H +Total Standard Deviation in ln(k): 3.251629613179111""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H +Total Standard Deviation in ln(k): 3.251629613179111 +""", +) + +entry( + index = 718, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-8R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00444,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(74443.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-8R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-8R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-8R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-8R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 719, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-8R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00377,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(82571.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-8R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-8R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-8R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-8R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 720, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0123,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(75101.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 721, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0104,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(83068.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 722, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing", + kinetics = ArrheniusBM(A=(0.0246638,'m^3/(mol*s)'), n=2.11804, w0=(301000,'J/mol'), E0=(54501.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.039514156668386057, var=0.4092016613061734, Tref=1000.0, N=45, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing',), comment="""BM rule fitted to 45 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing + Total Standard Deviation in ln(k): 1.3816882206763181"""), + rank = 11, + shortDesc = """BM rule fitted to 45 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing +Total Standard Deviation in ln(k): 1.3816882206763181""", + longDesc = +""" +BM rule fitted to 45 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing +Total Standard Deviation in ln(k): 1.3816882206763181 +""", +) + +entry( + index = 723, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R", + kinetics = ArrheniusBM(A=(1.49038e-11,'m^3/(mol*s)'), n=4.64433, w0=(301000,'J/mol'), E0=(14182.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.21358600268045108, var=0.21161909013264382, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R + Total Standard Deviation in ln(k): 1.458867981145836"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R +Total Standard Deviation in ln(k): 1.458867981145836""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R +Total Standard Deviation in ln(k): 1.458867981145836 +""", +) + +entry( + index = 724, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R", + kinetics = ArrheniusBM(A=(5.01626e-11,'m^3/(mol*s)'), n=4.5291, w0=(301000,'J/mol'), E0=(6558.52,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.20277002577675962, var=0.2694471469999436, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R + Total Standard Deviation in ln(k): 1.5500962979334951"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R +Total Standard Deviation in ln(k): 1.5500962979334951""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R +Total Standard Deviation in ln(k): 1.5500962979334951 +""", +) + +entry( + index = 725, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(1.33021e-13,'m^3/(mol*s)'), n=5.31567, w0=(301000,'J/mol'), E0=(29164.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.041628001063061616, var=0.6530232999992368, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.724616518208995"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.724616518208995""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.724616518208995 +""", +) + +entry( + index = 726, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Sp-6R!H-2C", + kinetics = ArrheniusBM(A=(0.00102,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(58334.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Sp-6R!H-2C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Sp-6R!H-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 727, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_N-Sp-6R!H-2C", + kinetics = ArrheniusBM(A=(0.0011,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(65158.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_N-Sp-6R!H-2C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_N-Sp-6R!H-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_N-Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_N-Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 728, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-2C-R", + kinetics = ArrheniusBM(A=(7.2113e-10,'m^3/(mol*s)'), n=4.35823, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.184606217781082, var=0.3910701556750936, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-2C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-2C-R + Total Standard Deviation in ln(k): 1.7175078734875564"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-2C-R +Total Standard Deviation in ln(k): 1.7175078734875564""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-2C-R +Total Standard Deviation in ln(k): 1.7175078734875564 +""", +) + +entry( + index = 729, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-3R-R", + kinetics = ArrheniusBM(A=(1.78659e-10,'m^3/(mol*s)'), n=4.48557, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=2.1462276858951475, var=0.006281203127758888, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-3R-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-3R-R + Total Standard Deviation in ln(k): 5.551415231554619"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-3R-R +Total Standard Deviation in ln(k): 5.551415231554619""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-3R-R +Total Standard Deviation in ln(k): 5.551415231554619 +""", +) + +entry( + index = 730, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_Sp-5R!H-1R!H_Ext-3C-R", + kinetics = ArrheniusBM(A=(1.88139e-11,'m^3/(mol*s)'), n=4.6168, w0=(301000,'J/mol'), E0=(14824.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.18200793619456634, var=0.4423116448328161, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_Sp-5R!H-1R!H_Ext-3C-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_Sp-5R!H-1R!H_Ext-3C-R + Total Standard Deviation in ln(k): 1.790585793874074"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_Sp-5R!H-1R!H_Ext-3C-R +Total Standard Deviation in ln(k): 1.790585793874074""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_Sp-5R!H-1R!H_Ext-3C-R +Total Standard Deviation in ln(k): 1.790585793874074 +""", +) + +entry( + index = 731, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_Sp-5R!H-1R!H_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(1.77361e-05,'m^3/(mol*s)'), n=3.01837, w0=(301000,'J/mol'), E0=(55948.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0038266895781465396, var=0.015446773867695683, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_Sp-5R!H-1R!H_Ext-5R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_Sp-5R!H-1R!H_Ext-5R!H-R + Total Standard Deviation in ln(k): 0.2587733989932082"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_Sp-5R!H-1R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.2587733989932082""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_Sp-5R!H-1R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.2587733989932082 +""", +) + +entry( + index = 732, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_N-Sp-5R!H-1R!H_Ext-3C-R", + kinetics = ArrheniusBM(A=(2.82847e-12,'m^3/(mol*s)'), n=4.98438, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=2.6620271257152592, var=0.0060106401633691795, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_N-Sp-5R!H-1R!H_Ext-3C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_N-Sp-5R!H-1R!H_Ext-3C-R + Total Standard Deviation in ln(k): 6.84393410562862"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_N-Sp-5R!H-1R!H_Ext-3C-R +Total Standard Deviation in ln(k): 6.84393410562862""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_N-Sp-5R!H-1R!H_Ext-3C-R +Total Standard Deviation in ln(k): 6.84393410562862 +""", +) + +entry( + index = 733, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H_N-5R!H->O_Ext-3R-R", + kinetics = ArrheniusBM(A=(229.899,'m^3/(mol*s)'), n=0.929086, w0=(323500,'J/mol'), E0=(53826.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10724665319053257, var=4.565554649707123, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H_N-5R!H->O_Ext-3R-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H_N-5R!H->O_Ext-3R-R + Total Standard Deviation in ln(k): 4.553013179886984"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H_N-5R!H->O_Ext-3R-R +Total Standard Deviation in ln(k): 4.553013179886984""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H_N-5R!H->O_Ext-3R-R +Total Standard Deviation in ln(k): 4.553013179886984 +""", +) + +entry( + index = 734, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(5.01744e-10,'m^3/(mol*s)'), n=4.27225, w0=(289500,'J/mol'), E0=(-12465.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1764598552503772, var=0.7885781625624114, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-5R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-5R!H-R + Total Standard Deviation in ln(k): 2.2236097812231552"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 2.2236097812231552""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 2.2236097812231552 +""", +) + +entry( + index = 735, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-3R-R", + kinetics = ArrheniusBM(A=(3.43872e-09,'m^3/(mol*s)'), n=4.11815, w0=(289500,'J/mol'), E0=(21686.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.7662997722525255, var=0.0064461553556304264, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-3R-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-3R-R + Total Standard Deviation in ln(k): 4.5988952014182845"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-3R-R +Total Standard Deviation in ln(k): 4.5988952014182845""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-3R-R +Total Standard Deviation in ln(k): 4.5988952014182845 +""", +) + +entry( + index = 736, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(6.06854e-08,'m^3/(mol*s)'), n=3.99729, w0=(289500,'J/mol'), E0=(-8118.93,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.15040572992085732, var=0.7841753616996141, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-5R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-5R!H-R + Total Standard Deviation in ln(k): 2.1531704586112106"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 2.1531704586112106""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 2.1531704586112106 +""", +) + +entry( + index = 737, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-3R-R", + kinetics = ArrheniusBM(A=(4.16209e-07,'m^3/(mol*s)'), n=3.84319, w0=(289500,'J/mol'), E0=(1156.67,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.033582325299017446, var=0.9212723977565185, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-3R-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-3R-R + Total Standard Deviation in ln(k): 2.008581285386075"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-3R-R +Total Standard Deviation in ln(k): 2.008581285386075""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-3R-R +Total Standard Deviation in ln(k): 2.008581285386075 +""", +) + +entry( + index = 738, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-7R!H=5R!H_Ext-3R-R", + kinetics = ArrheniusBM(A=(4.32165e-14,'m^3/(mol*s)'), n=5.61947, w0=(289500,'J/mol'), E0=(15895.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.018047057115837598, var=1.2603276511009318, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-7R!H=5R!H_Ext-3R-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-7R!H=5R!H_Ext-3R-R + Total Standard Deviation in ln(k): 2.295946474723791"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-7R!H=5R!H_Ext-3R-R +Total Standard Deviation in ln(k): 2.295946474723791""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-7R!H=5R!H_Ext-3R-R +Total Standard Deviation in ln(k): 2.295946474723791 +""", +) + +entry( + index = 739, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-7R!H=5R!H_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.00562031,'m^3/(mol*s)'), n=2.61085, w0=(289500,'J/mol'), E0=(58117.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.018897791521775415, var=1.3337578030533972, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-7R!H=5R!H_Ext-3R-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-7R!H=5R!H_Ext-3R-R + Total Standard Deviation in ln(k): 2.3627190039707777"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-7R!H=5R!H_Ext-3R-R +Total Standard Deviation in ln(k): 2.3627190039707777""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-7R!H=5R!H_Ext-3R-R +Total Standard Deviation in ln(k): 2.3627190039707777 +""", +) + +entry( + index = 740, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3R-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.00223,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(55015,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3R-R_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3R-R_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 741, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-3R-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.00618,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(55145.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-3R-R_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-3R-R_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 742, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Sp-2CO=1C_5R!H->C_Sp-5C-2CO", + kinetics = ArrheniusBM(A=(1.2919,'m^3/(mol*s)'), n=1.58557, w0=(301000,'J/mol'), E0=(55807.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1898379089628909, var=1.0155592552096948, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Sp-2CO=1C_5R!H->C_Sp-5C-2CO',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Sp-2CO=1C_5R!H->C_Sp-5C-2CO + Total Standard Deviation in ln(k): 2.4972506420262985"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Sp-2CO=1C_5R!H->C_Sp-5C-2CO +Total Standard Deviation in ln(k): 2.4972506420262985""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Sp-2CO=1C_5R!H->C_Sp-5C-2CO +Total Standard Deviation in ln(k): 2.4972506420262985 +""", +) + +entry( + index = 743, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Sp-2CO=1C_5R!H->C_N-Sp-5C-2CO", + kinetics = ArrheniusBM(A=(7.03335e-11,'m^3/(mol*s)'), n=4.5318, w0=(301000,'J/mol'), E0=(13900.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10989394908222273, var=0.7808254270090514, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Sp-2CO=1C_5R!H->C_N-Sp-5C-2CO',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Sp-2CO=1C_5R!H->C_N-Sp-5C-2CO + Total Standard Deviation in ln(k): 2.047586107404402"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Sp-2CO=1C_5R!H->C_N-Sp-5C-2CO +Total Standard Deviation in ln(k): 2.047586107404402""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Sp-2CO=1C_5R!H->C_N-Sp-5C-2CO +Total Standard Deviation in ln(k): 2.047586107404402 +""", +) + +entry( + index = 744, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_N-Sp-2CO=1C_Ext-3R-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.0107,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(48279.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_N-Sp-2CO=1C_Ext-3R-R_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_N-Sp-2CO=1C_Ext-3R-R_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_N-Sp-2CO=1C_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_N-Sp-2CO=1C_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 745, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_N-3R->S_Sp-2CO=1C_3CO->C_Ext-3C-R", + kinetics = ArrheniusBM(A=(3.36285e-09,'m^3/(mol*s)'), n=4.03702, w0=(301000,'J/mol'), E0=(17020.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.035902328702275124, var=1.1011048110698205, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_N-3R->S_Sp-2CO=1C_3CO->C_Ext-3C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_N-3R->S_Sp-2CO=1C_3CO->C_Ext-3C-R + Total Standard Deviation in ln(k): 2.1938463684290435"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_N-3R->S_Sp-2CO=1C_3CO->C_Ext-3C-R +Total Standard Deviation in ln(k): 2.1938463684290435""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_N-3R->S_Sp-2CO=1C_3CO->C_Ext-3C-R +Total Standard Deviation in ln(k): 2.1938463684290435 +""", +) + +entry( + index = 746, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_N-3R->S_Sp-2CO=1C_3CO->C_2CO->O", + kinetics = ArrheniusBM(A=(79400,'m^3/(mol*s)'), n=0, w0=(393500,'J/mol'), E0=(44793.2,'J/mol'), Tmin=(333,'K'), Tmax=(363,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_N-3R->S_Sp-2CO=1C_3CO->C_2CO->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_N-3R->S_Sp-2CO=1C_3CO->C_2CO->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_N-3R->S_Sp-2CO=1C_3CO->C_2CO->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_N-3R->S_Sp-2CO=1C_3CO->C_2CO->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 747, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_N-3R->S_Sp-2CO=1C_3CO->C_N-2CO->O", + kinetics = ArrheniusBM(A=(4.56284e-06,'m^3/(mol*s)'), n=3.21833, w0=(301000,'J/mol'), E0=(64035.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.4250157386353617, var=5.216565228432019, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_N-3R->S_Sp-2CO=1C_3CO->C_N-2CO->O',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_N-3R->S_Sp-2CO=1C_3CO->C_N-2CO->O + Total Standard Deviation in ln(k): 8.159216634495753"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_N-3R->S_Sp-2CO=1C_3CO->C_N-2CO->O +Total Standard Deviation in ln(k): 8.159216634495753""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_N-3R->S_Sp-2CO=1C_3CO->C_N-2CO->O +Total Standard Deviation in ln(k): 8.159216634495753 +""", +) + +entry( + index = 748, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_N-3R->S_N-Sp-2CO=1C_3CO->C_Ext-3C-R", + kinetics = ArrheniusBM(A=(2.59105,'m^3/(mol*s)'), n=1.51917, w0=(289500,'J/mol'), E0=(58611.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0029621564307310104, var=1.9042254505765634, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_N-3R->S_N-Sp-2CO=1C_3CO->C_Ext-3C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_N-3R->S_N-Sp-2CO=1C_3CO->C_Ext-3C-R + Total Standard Deviation in ln(k): 2.773850223448158"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_N-3R->S_N-Sp-2CO=1C_3CO->C_Ext-3C-R +Total Standard Deviation in ln(k): 2.773850223448158""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_N-3R->S_N-Sp-2CO=1C_3CO->C_Ext-3C-R +Total Standard Deviation in ln(k): 2.773850223448158 +""", +) + +entry( + index = 749, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_Ext-2CNS-R_Ext-2CNS-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(3.08797e-06,'m^3/(mol*s)'), n=3.49527, w0=(307000,'J/mol'), E0=(27190.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.008597518620881898, var=0.07135469429395004, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_Ext-2CNS-R_Ext-2CNS-R_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_Ext-2CNS-R_Ext-2CNS-R_Ext-1C-R + Total Standard Deviation in ln(k): 0.5571126430204557"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_Ext-2CNS-R_Ext-2CNS-R_Ext-1C-R +Total Standard Deviation in ln(k): 0.5571126430204557""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_Ext-2CNS-R_Ext-2CNS-R_Ext-1C-R +Total Standard Deviation in ln(k): 0.5571126430204557 +""", +) + +entry( + index = 750, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_Ext-2CNS-R_N-3CO->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.84061e-05,'m^3/(mol*s)'), n=3.27906, w0=(307000,'J/mol'), E0=(37815.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.005091104343226491, var=0.05080977150356734, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_Ext-2CNS-R_N-3CO->C_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_Ext-2CNS-R_N-3CO->C_Ext-1C-R + Total Standard Deviation in ln(k): 0.46467951307208716"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_Ext-2CNS-R_N-3CO->C_Ext-1C-R +Total Standard Deviation in ln(k): 0.46467951307208716""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_Ext-2CNS-R_N-3CO->C_Ext-1C-R +Total Standard Deviation in ln(k): 0.46467951307208716 +""", +) + +entry( + index = 751, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_2CNS->C_Ext-1C-R_5R!H->C", + kinetics = ArrheniusBM(A=(5.97221e-05,'m^3/(mol*s)'), n=3.15175, w0=(307000,'J/mol'), E0=(46470.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.00025155081357531575, var=0.07340693141573185, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_2CNS->C_Ext-1C-R_5R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_2CNS->C_Ext-1C-R_5R!H->C + Total Standard Deviation in ln(k): 0.5437892166098776"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_2CNS->C_Ext-1C-R_5R!H->C +Total Standard Deviation in ln(k): 0.5437892166098776""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_2CNS->C_Ext-1C-R_5R!H->C +Total Standard Deviation in ln(k): 0.5437892166098776 +""", +) + +entry( + index = 752, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_2CNS->C_Ext-1C-R_N-5R!H->C", + kinetics = ArrheniusBM(A=(0.00034435,'m^3/(mol*s)'), n=2.35842, w0=(307000,'J/mol'), E0=(36532.8,'J/mol'), Tmin=(303.03,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_2CNS->C_Ext-1C-R_N-5R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_2CNS->C_Ext-1C-R_N-5R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_2CNS->C_Ext-1C-R_N-5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_2CNS->C_Ext-1C-R_N-5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 753, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00167,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(51335.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 754, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00185,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(56515.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 755, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-10R!H-R", + kinetics = ArrheniusBM(A=(0.0302,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(80642.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-10R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-10R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 756, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00992,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(66951.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 757, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.0116,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(66527.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 758, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_Sp-5R!H=4R!H_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(5.76555e-05,'m^3/(mol*s)'), n=3.30244, w0=(289500,'J/mol'), E0=(67979.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.008265897340735368, var=6.476818136421091, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_Sp-5R!H=4R!H_Ext-7R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_Sp-5R!H=4R!H_Ext-7R!H-R + Total Standard Deviation in ln(k): 5.122737882812394"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_Sp-5R!H=4R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 5.122737882812394""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_Sp-5R!H=4R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 5.122737882812394 +""", +) + +entry( + index = 759, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(1.83595e-16,'m^3/(mol*s)'), n=6.47962, w0=(289500,'J/mol'), E0=(11669.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.15367674580397633, var=1.9140317540611227, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R + Total Standard Deviation in ln(k): 3.1596441163685234"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 3.1596441163685234""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 3.1596441163685234 +""", +) + +entry( + index = 760, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0718,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(68272,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 761, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0608,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(75643.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 762, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0118,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(76546,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 763, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.01,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(84703.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 764, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0327,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(69573.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 765, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0277,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(77929.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 766, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.000161761,'m^3/(mol*s)'), n=2.57988, w0=(301000,'J/mol'), E0=(63101.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.2974214066504408, var=3.2915285104334426, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-5R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-5R!H-R + Total Standard Deviation in ln(k): 6.896957454568748"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-5R!H-R +Total Standard Deviation in ln(k): 6.896957454568748""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-5R!H-R +Total Standard Deviation in ln(k): 6.896957454568748 +""", +) + +entry( + index = 767, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R", + kinetics = ArrheniusBM(A=(0.0801063,'m^3/(mol*s)'), n=1.99513, w0=(301000,'J/mol'), E0=(56448.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0479203071439326, var=0.38414752159181387, Tref=1000.0, N=27, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R',), comment="""BM rule fitted to 27 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R + Total Standard Deviation in ln(k): 1.3629302753496755"""), + rank = 11, + shortDesc = """BM rule fitted to 27 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R +Total Standard Deviation in ln(k): 1.3629302753496755""", + longDesc = +""" +BM rule fitted to 27 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R +Total Standard Deviation in ln(k): 1.3629302753496755 +""", +) + +entry( + index = 768, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R", + kinetics = ArrheniusBM(A=(1.03495e-05,'m^3/(mol*s)'), n=3.02207, w0=(301000,'J/mol'), E0=(33746.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06779689080468558, var=0.23165867309318805, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R + Total Standard Deviation in ln(k): 1.135241647730675"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R +Total Standard Deviation in ln(k): 1.135241647730675""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R +Total Standard Deviation in ln(k): 1.135241647730675 +""", +) + +entry( + index = 769, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(1.83232e-06,'m^3/(mol*s)'), n=3.28758, w0=(301000,'J/mol'), E0=(45954.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.051190179386316724, var=0.10995524874364915, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R + Total Standard Deviation in ln(k): 0.7933786834240059"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.7933786834240059""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.7933786834240059 +""", +) + +entry( + index = 770, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00115,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 771, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00149,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 772, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Sp-6R!H-2C", + kinetics = ArrheniusBM(A=(0.000821,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(49883.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Sp-6R!H-2C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Sp-6R!H-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 773, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_N-Sp-6R!H-2C", + kinetics = ArrheniusBM(A=(0.000883,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(56726.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_N-Sp-6R!H-2C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_N-Sp-6R!H-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_N-Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_N-Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 774, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(2.28248e-05,'m^3/(mol*s)'), n=2.98178, w0=(301000,'J/mol'), E0=(50608.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0025303966857293018, var=0.0013349508168772634, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-5R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 0.07960474355872454"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.07960474355872454""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.07960474355872454 +""", +) + +entry( + index = 775, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H", + kinetics = ArrheniusBM(A=(9.92175e-06,'m^3/(mol*s)'), n=3.08434, w0=(301000,'J/mol'), E0=(55482.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0038799080579166095, var=0.5721512207988181, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H + Total Standard Deviation in ln(k): 1.5261437226124812"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 1.5261437226124812""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 1.5261437226124812 +""", +) + +entry( + index = 776, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H", + kinetics = ArrheniusBM(A=(1.14941e-14,'m^3/(mol*s)'), n=5.62849, w0=(301000,'J/mol'), E0=(20553.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.05517128044425261, var=2.996404891736423, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H + Total Standard Deviation in ln(k): 3.608843142846136"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 3.608843142846136""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 3.608843142846136 +""", +) + +entry( + index = 777, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(7.58888e-09,'m^3/(mol*s)'), n=4.05001, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.69584430616881, var=0.006588644275577886, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R + Total Standard Deviation in ln(k): 4.4236406191743844"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R +Total Standard Deviation in ln(k): 4.4236406191743844""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R +Total Standard Deviation in ln(k): 4.4236406191743844 +""", +) + +entry( + index = 778, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-3R-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.0027,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-3R-R_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-3R-R_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 779, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(7.49271e-07,'m^3/(mol*s)'), n=3.38458, w0=(301000,'J/mol'), E0=(40121.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07568905235607604, var=0.37910842547410956, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.424524596251766"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.424524596251766""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.424524596251766 +""", +) + +entry( + index = 780, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_Sp-5R!H-1R!H_Ext-3C-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.000606,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(39963.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_Sp-5R!H-1R!H_Ext-3C-R_Ext-3C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_Sp-5R!H-1R!H_Ext-3C-R_Ext-3C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_Sp-5R!H-1R!H_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_Sp-5R!H-1R!H_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 781, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00134,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(56585.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-6R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 782, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00148,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(58349.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 783, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_N-Sp-5R!H-1R!H_Ext-3C-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.00235,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_N-Sp-5R!H-1R!H_Ext-3C-R_Ext-3C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_N-Sp-5R!H-1R!H_Ext-3C-R_Ext-3C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_N-Sp-5R!H-1R!H_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_N-Sp-5R!H-1R!H_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 784, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H_N-5R!H->O_Ext-3R-R_6R!H->C", + kinetics = ArrheniusBM(A=(0.0312881,'m^3/(mol*s)'), n=2.1262, w0=(323500,'J/mol'), E0=(39236.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.260781399629125, var=0.05044486391825372, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H_N-5R!H->O_Ext-3R-R_6R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H_N-5R!H->O_Ext-3R-R_6R!H->C + Total Standard Deviation in ln(k): 1.1054918243066554"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H_N-5R!H->O_Ext-3R-R_6R!H->C +Total Standard Deviation in ln(k): 1.1054918243066554""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H_N-5R!H->O_Ext-3R-R_6R!H->C +Total Standard Deviation in ln(k): 1.1054918243066554 +""", +) + +entry( + index = 785, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H_N-5R!H->O_Ext-3R-R_N-6R!H->C", + kinetics = ArrheniusBM(A=(2.57e-06,'m^3/(mol*s)'), n=3.04, w0=(323500,'J/mol'), E0=(22308.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H_N-5R!H->O_Ext-3R-R_N-6R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H_N-5R!H->O_Ext-3R-R_N-6R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H_N-5R!H->O_Ext-3R-R_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H_N-5R!H->O_Ext-3R-R_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 786, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(1.30549e-10,'m^3/(mol*s)'), n=4.38043, w0=(289500,'J/mol'), E0=(29308.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.18437737650058625, var=0.39292463437256925, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 1.7199018773364987"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 1.7199018773364987""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 1.7199018773364987 +""", +) + +entry( + index = 787, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(1.52208e-09,'m^3/(mol*s)'), n=4.19763, w0=(289500,'J/mol'), E0=(15436.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1693891628273331, var=0.391368657524081, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 1.6797524369568726"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 1.6797524369568726""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 1.6797524369568726 +""", +) + +entry( + index = 788, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-3R-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.00271,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(28950,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-3R-R_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-3R-R_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 789, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(2.01569e-08,'m^3/(mol*s)'), n=4.0711, w0=(289500,'J/mol'), E0=(9971.29,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.22879901604931505, var=0.539825096580564, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 2.0478067061096024"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 2.0478067061096024""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 2.0478067061096024 +""", +) + +entry( + index = 790, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(1.82703e-07,'m^3/(mol*s)'), n=3.92348, w0=(289500,'J/mol'), E0=(2067.42,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.21786064175767086, var=0.5471275337238477, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 2.0302523867608904"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 2.0302523867608904""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 2.0302523867608904 +""", +) + +entry( + index = 791, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-3R-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.036,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(44483.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-3R-R_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-3R-R_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 792, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-7R!H=5R!H_Ext-3R-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.00592,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(57287.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-7R!H=5R!H_Ext-3R-R_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-7R!H=5R!H_Ext-3R-R_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-7R!H=5R!H_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-7R!H=5R!H_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 793, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-7R!H=5R!H_Ext-3R-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.0164,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(51027.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-7R!H=5R!H_Ext-3R-R_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-7R!H=5R!H_Ext-3R-R_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-7R!H=5R!H_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-7R!H=5R!H_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 794, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Sp-2CO=1C_5R!H->C_Sp-5C-2CO_Ext-3R-R", + kinetics = ArrheniusBM(A=(2.38791e-09,'m^3/(mol*s)'), n=3.9948, w0=(301000,'J/mol'), E0=(16255.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.03416735808061004, var=0.42215638274626216, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Sp-2CO=1C_5R!H->C_Sp-5C-2CO_Ext-3R-R',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Sp-2CO=1C_5R!H->C_Sp-5C-2CO_Ext-3R-R + Total Standard Deviation in ln(k): 1.388395432381697"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Sp-2CO=1C_5R!H->C_Sp-5C-2CO_Ext-3R-R +Total Standard Deviation in ln(k): 1.388395432381697""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Sp-2CO=1C_5R!H->C_Sp-5C-2CO_Ext-3R-R +Total Standard Deviation in ln(k): 1.388395432381697 +""", +) + +entry( + index = 795, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Sp-2CO=1C_5R!H->C_Sp-5C-2CO_Ext-2CO-R", + kinetics = ArrheniusBM(A=(0.00268,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(51824.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Sp-2CO=1C_5R!H->C_Sp-5C-2CO_Ext-2CO-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Sp-2CO=1C_5R!H->C_Sp-5C-2CO_Ext-2CO-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Sp-2CO=1C_5R!H->C_Sp-5C-2CO_Ext-2CO-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Sp-2CO=1C_5R!H->C_Sp-5C-2CO_Ext-2CO-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 796, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Sp-2CO=1C_5R!H->C_N-Sp-5C-2CO_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.000152597,'m^3/(mol*s)'), n=2.75686, w0=(301000,'J/mol'), E0=(47010.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.018956490874032037, var=0.8185007572273703, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Sp-2CO=1C_5R!H->C_N-Sp-5C-2CO_Ext-3R-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Sp-2CO=1C_5R!H->C_N-Sp-5C-2CO_Ext-3R-R + Total Standard Deviation in ln(k): 1.861333880917221"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Sp-2CO=1C_5R!H->C_N-Sp-5C-2CO_Ext-3R-R +Total Standard Deviation in ln(k): 1.861333880917221""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Sp-2CO=1C_5R!H->C_N-Sp-5C-2CO_Ext-3R-R +Total Standard Deviation in ln(k): 1.861333880917221 +""", +) + +entry( + index = 797, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_N-3R->S_Sp-2CO=1C_3CO->C_Ext-3C-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.00126,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(36106.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_N-3R->S_Sp-2CO=1C_3CO->C_Ext-3C-R_Ext-3C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_N-3R->S_Sp-2CO=1C_3CO->C_Ext-3C-R_Ext-3C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_N-3R->S_Sp-2CO=1C_3CO->C_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_N-3R->S_Sp-2CO=1C_3CO->C_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 798, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_N-3R->S_N-Sp-2CO=1C_3CO->C_Ext-3C-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(12.9488,'m^3/(mol*s)'), n=1.23518, w0=(289500,'J/mol'), E0=(55892.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-3.0999318005449506e-15, var=7.016874896617057, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_N-3R->S_N-Sp-2CO=1C_3CO->C_Ext-3C-R_Ext-3C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_N-3R->S_N-Sp-2CO=1C_3CO->C_Ext-3C-R_Ext-3C-R + Total Standard Deviation in ln(k): 5.310419822794325"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_N-3R->S_N-Sp-2CO=1C_3CO->C_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 5.310419822794325""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_N-3R->S_N-Sp-2CO=1C_3CO->C_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 5.310419822794325 +""", +) + +entry( + index = 799, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_Ext-2CNS-R_Ext-2CNS-R_Ext-1C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.69e-06,'m^3/(mol*s)'), n=3.44, w0=(307000,'J/mol'), E0=(17859.3,'J/mol'), Tmin=(400,'K'), Tmax=(1100,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_Ext-2CNS-R_Ext-2CNS-R_Ext-1C-R_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_Ext-2CNS-R_Ext-2CNS-R_Ext-1C-R_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_Ext-2CNS-R_Ext-2CNS-R_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_Ext-2CNS-R_Ext-2CNS-R_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 800, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_Ext-2CNS-R_N-3CO->C_Ext-1C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.72e-07,'m^3/(mol*s)'), n=3.7, w0=(307000,'J/mol'), E0=(22353.5,'J/mol'), Tmin=(400,'K'), Tmax=(1100,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_Ext-2CNS-R_N-3CO->C_Ext-1C-R_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_Ext-2CNS-R_N-3CO->C_Ext-1C-R_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_Ext-2CNS-R_N-3CO->C_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_Ext-2CNS-R_N-3CO->C_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 801, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_2CNS->C_Ext-1C-R_5R!H->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(3.37e-07,'m^3/(mol*s)'), n=3.67, w0=(307000,'J/mol'), E0=(32342.4,'J/mol'), Tmin=(400,'K'), Tmax=(1100,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_2CNS->C_Ext-1C-R_5R!H->C_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_2CNS->C_Ext-1C-R_5R!H->C_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_2CNS->C_Ext-1C-R_5R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-4R!H->C_N-2R!H->O_4OS-u0_N-3R->S_1R!H->C_2CNS->C_Ext-1C-R_5R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 802, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H", + kinetics = ArrheniusBM(A=(0.0293,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(75913.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 803, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H", + kinetics = ArrheniusBM(A=(0.0812,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(69122.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 804, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H", + kinetics = ArrheniusBM(A=(6.14906e-17,'m^3/(mol*s)'), n=6.5594, w0=(289500,'J/mol'), E0=(23942.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.01961816668484739, var=1.8103201103963755, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H + Total Standard Deviation in ln(k): 2.7466255695795536"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 2.7466255695795536""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 2.7466255695795536 +""", +) + +entry( + index = 805, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H", + kinetics = ArrheniusBM(A=(5.60362e-07,'m^3/(mol*s)'), n=3.86577, w0=(289500,'J/mol'), E0=(56193.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.020324288658852895, var=1.8885968666564439, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H + Total Standard Deviation in ln(k): 2.806097888400831"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 2.806097888400831""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 2.806097888400831 +""", +) + +entry( + index = 806, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000494,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(62275.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 807, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000545,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 808, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(4.62957e-05,'m^3/(mol*s)'), n=2.84735, w0=(301000,'J/mol'), E0=(34768.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03858264155536826, var=0.163378375967603, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R + Total Standard Deviation in ln(k): 0.9072570538326945"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R +Total Standard Deviation in ln(k): 0.9072570538326945""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R +Total Standard Deviation in ln(k): 0.9072570538326945 +""", +) + +entry( + index = 809, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(8.75396e-06,'m^3/(mol*s)'), n=3.1082, w0=(301000,'J/mol'), E0=(47776.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03350319047065934, var=0.029648888652975144, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 0.42937124949799865"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.42937124949799865""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.42937124949799865 +""", +) + +entry( + index = 810, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.0013,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(54364.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 811, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00153,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 812, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(1.99885e-05,'m^3/(mol*s)'), n=2.94246, w0=(301000,'J/mol'), E0=(32466.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03612915311417055, var=0.18398451702274918, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 0.9506761310268272"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.9506761310268272""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.9506761310268272 +""", +) + +entry( + index = 813, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(4.21969e-05,'m^3/(mol*s)'), n=2.77256, w0=(301000,'J/mol'), E0=(-1604.93,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.001225690602170875, var=0.2541375012598865, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-3R-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-3R-R + Total Standard Deviation in ln(k): 1.013707719426374"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 1.013707719426374""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 1.013707719426374 +""", +) + +entry( + index = 814, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.000922,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(48239.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 815, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.0012,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(47762,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 816, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(9.4806e-05,'m^3/(mol*s)'), n=2.80481, w0=(301000,'J/mol'), E0=(51810.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0011576321297095435, var=0.072464405000711, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 0.5425675370046807"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 0.5425675370046807""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 0.5425675370046807 +""", +) + +entry( + index = 817, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(4.22311e-08,'m^3/(mol*s)'), n=3.74342, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.3788187632359576, var=0.1826069714159427, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 4.321042909540643"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 4.321042909540643""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 4.321042909540643 +""", +) + +entry( + index = 818, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-5R!H-R_Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(0.0017,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(53973.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-5R!H-R_Sp-8R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-5R!H-R_Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-5R!H-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-5R!H-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 819, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-5R!H-R_N-Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00187,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(55134.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-5R!H-R_N-Sp-8R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-5R!H-R_N-Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-5R!H-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-5R!H-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 820, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H_Sp-6R!H-2C", + kinetics = ArrheniusBM(A=(0.00135,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(55211.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H_Sp-6R!H-2C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H_Sp-6R!H-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H_Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H_Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 821, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H_N-Sp-6R!H-2C", + kinetics = ArrheniusBM(A=(0.00145,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(60837,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H_N-Sp-6R!H-2C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H_N-Sp-6R!H-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H_N-Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H_N-Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 822, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H_Sp-6R!H-2C", + kinetics = ArrheniusBM(A=(0.00149,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(56458,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H_Sp-6R!H-2C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H_Sp-6R!H-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H_Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H_Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 823, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H_N-Sp-6R!H-2C", + kinetics = ArrheniusBM(A=(0.0016,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(69121.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H_N-Sp-6R!H-2C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H_N-Sp-6R!H-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H_N-Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H_N-Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 824, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.00346,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 825, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.000193254,'m^3/(mol*s)'), n=2.69271, w0=(301000,'J/mol'), E0=(43286.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.005399748877167737, var=0.00621520555493069, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Ext-3C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Ext-3C-R + Total Standard Deviation in ln(k): 0.17161365548260346"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Ext-3C-R +Total Standard Deviation in ln(k): 0.17161365548260346""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Ext-3C-R +Total Standard Deviation in ln(k): 0.17161365548260346 +""", +) + +entry( + index = 826, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Sp-7R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00108,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(48226.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Sp-7R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Sp-7R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 827, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_N-Sp-7R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00119,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(49856.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_N-Sp-7R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_N-Sp-7R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_N-Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_N-Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 828, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H_N-5R!H->O_Ext-3R-R_6R!H->C_5CS->C", + kinetics = ArrheniusBM(A=(5.08e-05,'m^3/(mol*s)'), n=2.9, w0=(323500,'J/mol'), E0=(26937,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H_N-5R!H->O_Ext-3R-R_6R!H->C_5CS->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H_N-5R!H->O_Ext-3R-R_6R!H->C_5CS->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H_N-5R!H->O_Ext-3R-R_6R!H->C_5CS->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H_N-5R!H->O_Ext-3R-R_6R!H->C_5CS->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 829, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H_N-5R!H->O_Ext-3R-R_6R!H->C_N-5CS->C", + kinetics = ArrheniusBM(A=(195000,'m^3/(mol*s)'), n=0, w0=(323500,'J/mol'), E0=(55890.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H_N-5R!H->O_Ext-3R-R_6R!H->C_N-5CS->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H_N-5R!H->O_Ext-3R-R_6R!H->C_N-5CS->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H_N-5R!H->O_Ext-3R-R_6R!H->C_N-5CS->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H_N-5R!H->O_Ext-3R-R_6R!H->C_N-5CS->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 830, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_Ext-3R-R", + kinetics = ArrheniusBM(A=(1.09129e-09,'m^3/(mol*s)'), n=4.10716, w0=(289500,'J/mol'), E0=(31424.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.6832698456378232, var=0.006065785537777879, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_Ext-3R-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_Ext-3R-R + Total Standard Deviation in ln(k): 4.3854563091657734"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_Ext-3R-R +Total Standard Deviation in ln(k): 4.3854563091657734""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_Ext-3R-R +Total Standard Deviation in ln(k): 4.3854563091657734 +""", +) + +entry( + index = 831, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_Ext-3R-R", + kinetics = ArrheniusBM(A=(1.60164e-08,'m^3/(mol*s)'), n=3.88942, w0=(289500,'J/mol'), E0=(18550.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.0410549198651968, var=0.31668886425799864, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_Ext-3R-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_Ext-3R-R + Total Standard Deviation in ln(k): 3.7438828625444094"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_Ext-3R-R +Total Standard Deviation in ln(k): 3.7438828625444094""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_Ext-3R-R +Total Standard Deviation in ln(k): 3.7438828625444094 +""", +) + +entry( + index = 832, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_Ext-3R-R", + kinetics = ArrheniusBM(A=(2.12043e-07,'m^3/(mol*s)'), n=3.76289, w0=(289500,'J/mol'), E0=(12850,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.9600899784587261, var=0.21431880343623486, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_Ext-3R-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_Ext-3R-R + Total Standard Deviation in ln(k): 3.340370039924747"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_Ext-3R-R +Total Standard Deviation in ln(k): 3.340370039924747""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_Ext-3R-R +Total Standard Deviation in ln(k): 3.340370039924747 +""", +) + +entry( + index = 833, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_Ext-3R-R", + kinetics = ArrheniusBM(A=(1.93529e-06,'m^3/(mol*s)'), n=3.61446, w0=(289500,'J/mol'), E0=(9468.81,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03879166616535233, var=0.8839001197963462, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_Ext-3R-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_Ext-3R-R + Total Standard Deviation in ln(k): 1.982237475761071"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_Ext-3R-R +Total Standard Deviation in ln(k): 1.982237475761071""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_Ext-3R-R +Total Standard Deviation in ln(k): 1.982237475761071 +""", +) + +entry( + index = 834, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Sp-2CO=1C_5R!H->C_Sp-5C-2CO_Ext-3R-R_Ext-2CO-R", + kinetics = ArrheniusBM(A=(3.71348e-09,'m^3/(mol*s)'), n=3.9298, w0=(301000,'J/mol'), E0=(10378.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.21670575793781, var=1.1606699673135947, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Sp-2CO=1C_5R!H->C_Sp-5C-2CO_Ext-3R-R_Ext-2CO-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Sp-2CO=1C_5R!H->C_Sp-5C-2CO_Ext-3R-R_Ext-2CO-R + Total Standard Deviation in ln(k): 2.7042760180271417"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Sp-2CO=1C_5R!H->C_Sp-5C-2CO_Ext-3R-R_Ext-2CO-R +Total Standard Deviation in ln(k): 2.7042760180271417""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Sp-2CO=1C_5R!H->C_Sp-5C-2CO_Ext-3R-R_Ext-2CO-R +Total Standard Deviation in ln(k): 2.7042760180271417 +""", +) + +entry( + index = 835, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Sp-2CO=1C_5R!H->C_Sp-5C-2CO_Ext-3R-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(9.78019e-05,'m^3/(mol*s)'), n=2.72029, w0=(301000,'J/mol'), E0=(41366.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.9737796549957556, var=2.435940710789093, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Sp-2CO=1C_5R!H->C_Sp-5C-2CO_Ext-3R-R_Ext-3R-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Sp-2CO=1C_5R!H->C_Sp-5C-2CO_Ext-3R-R_Ext-3R-R + Total Standard Deviation in ln(k): 5.575572917519861"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Sp-2CO=1C_5R!H->C_Sp-5C-2CO_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 5.575572917519861""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Sp-2CO=1C_5R!H->C_Sp-5C-2CO_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 5.575572917519861 +""", +) + +entry( + index = 836, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Sp-2CO=1C_5R!H->C_N-Sp-5C-2CO_Ext-3R-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.00136,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(41251.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Sp-2CO=1C_5R!H->C_N-Sp-5C-2CO_Ext-3R-R_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Sp-2CO=1C_5R!H->C_N-Sp-5C-2CO_Ext-3R-R_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Sp-2CO=1C_5R!H->C_N-Sp-5C-2CO_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Sp-2CO=1C_5R!H->C_N-Sp-5C-2CO_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 837, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0192,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(70365.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 838, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0162,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(77650.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 839, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0531,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(63955.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 840, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.045,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(71353.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 841, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(5.14373e-05,'m^3/(mol*s)'), n=2.83698, w0=(301000,'J/mol'), E0=(32473.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.02802393795441633, var=0.13044617006831624, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 0.7944687363249711"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.7944687363249711""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.7944687363249711 +""", +) + +entry( + index = 842, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00105,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(44784.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 843, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00122,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(46236.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 844, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(2.14689e-05,'m^3/(mol*s)'), n=3.00254, w0=(301000,'J/mol'), E0=(49277.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.00018933061481095866, var=0.03505807460825446, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 0.37583832341274354"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 0.37583832341274354""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 0.37583832341274354 +""", +) + +entry( + index = 845, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(1.21124e-07,'m^3/(mol*s)'), n=3.62176, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.2530140218164187, var=0.024360780596238238, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 3.461174294344387"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 3.461174294344387""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 3.461174294344387 +""", +) + +entry( + index = 846, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.000358041,'m^3/(mol*s)'), n=2.57192, w0=(301000,'J/mol'), E0=(33457,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.011046793072806834, var=0.1586405840982791, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Ext-3R-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Ext-3R-R + Total Standard Deviation in ln(k): 0.8262359397288507"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 0.8262359397288507""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 0.8262359397288507 +""", +) + +entry( + index = 847, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000184466,'m^3/(mol*s)'), n=2.69977, w0=(301000,'J/mol'), E0=(44820.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.00020949559026852343, var=0.15904669412603684, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 0.800027925617087"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 0.800027925617087""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 0.800027925617087 +""", +) + +entry( + index = 848, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(3.62748e-06,'m^3/(mol*s)'), n=3.16188, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.7774733019727531, var=0.1787504820520991, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 2.801030312226548"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 2.801030312226548""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 2.801030312226548 +""", +) + +entry( + index = 849, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-3R-R_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.000683,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(35411.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-3R-R_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-3R-R_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-3R-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-3R-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 850, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-3R-R_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.000885,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(33771.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-3R-R_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-3R-R_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-3R-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-3R-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 851, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00151,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(53433.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 852, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00196,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(54226.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 853, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00167,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 854, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00217,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 855, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-7R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000798,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(37752.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-7R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-7R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 856, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-7R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00088,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(39252.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-7R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-7R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_3R->C_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 857, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_Ext-3R-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.000724,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(28950,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_Ext-3R-R_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_Ext-3R-R_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 858, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_Ext-3R-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.00201,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(48548.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_Ext-3R-R_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_Ext-3R-R_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 859, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_Ext-3R-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.00961,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(45660.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_Ext-3R-R_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_Ext-3R-R_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 860, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_Ext-3R-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.0266,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(39895.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_Ext-3R-R_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_Ext-3R-R_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 861, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Sp-2CO=1C_5R!H->C_Sp-5C-2CO_Ext-3R-R_Ext-2CO-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.00175708,'m^3/(mol*s)'), n=2.34631, w0=(301000,'J/mol'), E0=(39597,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.1704218508036057, var=3.519088286705212, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Sp-2CO=1C_5R!H->C_Sp-5C-2CO_Ext-3R-R_Ext-2CO-R_Ext-3R-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Sp-2CO=1C_5R!H->C_Sp-5C-2CO_Ext-3R-R_Ext-2CO-R_Ext-3R-R + Total Standard Deviation in ln(k): 6.7014876927599305"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Sp-2CO=1C_5R!H->C_Sp-5C-2CO_Ext-3R-R_Ext-2CO-R_Ext-3R-R +Total Standard Deviation in ln(k): 6.7014876927599305""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Sp-2CO=1C_5R!H->C_Sp-5C-2CO_Ext-3R-R_Ext-2CO-R_Ext-3R-R +Total Standard Deviation in ln(k): 6.7014876927599305 +""", +) + +entry( + index = 862, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.00103647,'m^3/(mol*s)'), n=2.45363, w0=(301000,'J/mol'), E0=(34145.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.011053668843095518, var=0.01796375008712883, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R + Total Standard Deviation in ln(k): 0.29646550481201356"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 0.29646550481201356""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 0.29646550481201356 +""", +) + +entry( + index = 863, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000136095,'m^3/(mol*s)'), n=2.75124, w0=(301000,'J/mol'), E0=(43132.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0002839733763619388, var=0.005095442991250287, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 0.14381624542454913"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 0.14381624542454913""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 0.14381624542454913 +""", +) + +entry( + index = 864, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(1.03882e-05,'m^3/(mol*s)'), n=3.04021, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.6516685605532138, var=0.026509565484763964, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 1.9637643131297844"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 1.9637643131297844""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 1.9637643131297844 +""", +) + +entry( + index = 865, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00172,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(53415.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 866, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00201,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(53686,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 867, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.0019,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 868, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00222,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 869, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(6.6412e-05,'m^3/(mol*s)'), n=2.75066, w0=(301000,'J/mol'), E0=(15971.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0009109981908819266, var=0.2569188259653679, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_Sp-9R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 1.0184322304317306"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 1.0184322304317306""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 1.0184322304317306 +""", +) + +entry( + index = 870, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_N-Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000785523,'m^3/(mol*s)'), n=2.46776, w0=(301000,'J/mol'), E0=(34912.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06541846553816033, var=0.18231662692794987, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_N-Sp-9R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_N-Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 1.0203608360661318"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 1.0203608360661318""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 1.0203608360661318 +""", +) + +entry( + index = 871, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00121,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(45117.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 872, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00157,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(44851,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 873, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00134,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 874, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00174,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 875, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_N-Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00195276,'m^3/(mol*s)'), n=2.3516, w0=(301000,'J/mol'), E0=(23761.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.060386275881378855, var=0.024254765612927102, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_N-Sp-10R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_N-Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 0.4639405809130151"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 0.4639405809130151""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 0.4639405809130151 +""", +) + +entry( + index = 876, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00138,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(42875.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 877, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00161,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(44203.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 878, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00152,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 879, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00178,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 880, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_Sp-9R!H=5R!H_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.0009,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(33387,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_Sp-9R!H=5R!H_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_Sp-9R!H=5R!H_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_Sp-9R!H=5R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_Sp-9R!H=5R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 881, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_Sp-9R!H=5R!H_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00117,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(31771.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_Sp-9R!H=5R!H_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_Sp-9R!H=5R!H_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_Sp-9R!H=5R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_Sp-9R!H=5R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 882, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_N-Sp-9R!H=5R!H_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.000993,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_N-Sp-9R!H=5R!H_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_N-Sp-9R!H=5R!H_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_N-Sp-9R!H=5R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_N-Sp-9R!H=5R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 883, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_N-Sp-9R!H=5R!H_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00129,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_N-Sp-9R!H=5R!H_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_N-Sp-9R!H=5R!H_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_N-Sp-9R!H=5R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_N-Sp-9R!H=5R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 884, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_N-Sp-10R!H=5R!H_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00113,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_N-Sp-10R!H=5R!H_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_N-Sp-10R!H=5R!H_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_N-Sp-10R!H=5R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_N-Sp-10R!H=5R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 885, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_N-Sp-10R!H=5R!H_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00132,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_N-Sp-10R!H=5R!H_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_N-Sp-10R!H=5R!H_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_N-Sp-10R!H=5R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_N-Sp-10R!H=5R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 886, + label = "Root_3R-inRing", + kinetics = ArrheniusBM(A=(9452.38,'m^3/(mol*s)'), n=0.746528, w0=(298422,'J/mol'), E0=(75499.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.12928456603292773, var=2.7971442792050922, Tref=1000.0, N=153, data_mean=0.0, correlation='Root_3R-inRing',), comment="""BM rule fitted to 153 training reactions at node Root_3R-inRing + Total Standard Deviation in ln(k): 3.677687902656937"""), + rank = 11, + shortDesc = """BM rule fitted to 153 training reactions at node Root_3R-inRing +Total Standard Deviation in ln(k): 3.677687902656937""", + longDesc = +""" +BM rule fitted to 153 training reactions at node Root_3R-inRing +Total Standard Deviation in ln(k): 3.677687902656937 +""", +) + +entry( + index = 887, + label = "Root_N-3R-inRing", + kinetics = ArrheniusBM(A=(265009,'m^3/(mol*s)'), n=0.21253, w0=(299622,'J/mol'), E0=(68105.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.13541350621150994, var=13.290994866221954, Tref=1000.0, N=2409, data_mean=0.0, correlation='Root_N-3R-inRing',), comment="""BM rule fitted to 2409 training reactions at node Root_N-3R-inRing + Total Standard Deviation in ln(k): 7.648860872583483"""), + rank = 11, + shortDesc = """BM rule fitted to 2409 training reactions at node Root_N-3R-inRing +Total Standard Deviation in ln(k): 7.648860872583483""", + longDesc = +""" +BM rule fitted to 2409 training reactions at node Root_N-3R-inRing +Total Standard Deviation in ln(k): 7.648860872583483 +""", +) + +entry( + index = 888, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_Sp-5R!H-4R!H", + kinetics = ArrheniusBM(A=(115.853,'m^3/(mol*s)'), n=1.54844, w0=(291500,'J/mol'), E0=(44064.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.01305965903172259, var=0.2881493702984935, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_Sp-5R!H-4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_Sp-5R!H-4R!H + Total Standard Deviation in ln(k): 1.1089459099525212"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_Sp-5R!H-4R!H +Total Standard Deviation in ln(k): 1.1089459099525212""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_Sp-5R!H-4R!H +Total Standard Deviation in ln(k): 1.1089459099525212 +""", +) + +entry( + index = 889, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_N-Sp-5R!H-4R!H", + kinetics = ArrheniusBM(A=(0.00881909,'m^3/(mol*s)'), n=2.97168, w0=(291500,'J/mol'), E0=(29150,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.6447326930923984, var=9.474606341146753, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_N-Sp-5R!H-4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_N-Sp-5R!H-4R!H + Total Standard Deviation in ln(k): 10.30323887287634"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_N-Sp-5R!H-4R!H +Total Standard Deviation in ln(k): 10.30323887287634""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_N-Sp-5R!H-4R!H +Total Standard Deviation in ln(k): 10.30323887287634 +""", +) + +entry( + index = 890, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_Ext-1R!H-R_Ext-2COS-R_Int-8R!H-5R!H", + kinetics = ArrheniusBM(A=(105.357,'m^3/(mol*s)'), n=1.45722, w0=(291500,'J/mol'), E0=(57066,'J/mol'), Tmin=(303.03,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_Ext-1R!H-R_Ext-2COS-R_Int-8R!H-5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_Ext-1R!H-R_Ext-2COS-R_Int-8R!H-5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_Ext-1R!H-R_Ext-2COS-R_Int-8R!H-5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_Ext-1R!H-R_Ext-2COS-R_Int-8R!H-5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 891, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_Ext-1R!H-R_Ext-2COS-R_Ext-8R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(49370,'m^3/(mol*s)'), n=0.925, w0=(291500,'J/mol'), E0=(24572.2,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_Ext-1R!H-R_Ext-2COS-R_Ext-8R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_Ext-1R!H-R_Ext-2COS-R_Ext-8R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_Ext-1R!H-R_Ext-2COS-R_Ext-8R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_Ext-1R!H-R_Ext-2COS-R_Ext-8R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 892, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_Ext-1R!H-R_Sp-5R!H-4R!H", + kinetics = ArrheniusBM(A=(1116.78,'m^3/(mol*s)'), n=1.35714, w0=(291500,'J/mol'), E0=(45132.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.037639104379002516, var=2.3250083445822587, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_Ext-1R!H-R_Sp-5R!H-4R!H',), comment="""BM rule fitted to 6 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_Ext-1R!H-R_Sp-5R!H-4R!H + Total Standard Deviation in ln(k): 3.1513862586153722"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_Ext-1R!H-R_Sp-5R!H-4R!H +Total Standard Deviation in ln(k): 3.1513862586153722""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_Ext-1R!H-R_Sp-5R!H-4R!H +Total Standard Deviation in ln(k): 3.1513862586153722 +""", +) + +entry( + index = 893, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_Ext-1R!H-R_N-Sp-5R!H-4R!H", + kinetics = ArrheniusBM(A=(3.60015,'m^3/(mol*s)'), n=2.16284, w0=(291500,'J/mol'), E0=(46200.8,'J/mol'), Tmin=(303.03,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_Ext-1R!H-R_N-Sp-5R!H-4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_Ext-1R!H-R_N-Sp-5R!H-4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_Ext-1R!H-R_N-Sp-5R!H-4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_Ext-1R!H-R_N-Sp-5R!H-4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 894, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_Ext-1COS-R_6R!H-inRing", + kinetics = ArrheniusBM(A=(17.4,'m^3/(mol*s)'), n=1.64, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_Ext-1COS-R_6R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_Ext-1COS-R_6R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_Ext-1COS-R_6R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_Ext-1COS-R_6R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 895, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_Ext-1COS-R_N-6R!H-inRing", + kinetics = ArrheniusBM(A=(18.7,'m^3/(mol*s)'), n=1.64, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_Ext-1COS-R_N-6R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_Ext-1COS-R_N-6R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_Ext-1COS-R_N-6R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_Ext-1COS-R_N-6R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 896, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-4R!H-R_Int-6R!H-5R!H", + kinetics = ArrheniusBM(A=(1028.78,'m^3/(mol*s)'), n=1.38474, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11964199290105265, var=3.666236744150506, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-4R!H-R_Int-6R!H-5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-4R!H-R_Int-6R!H-5R!H + Total Standard Deviation in ln(k): 4.139158378430778"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-4R!H-R_Int-6R!H-5R!H +Total Standard Deviation in ln(k): 4.139158378430778""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-4R!H-R_Int-6R!H-5R!H +Total Standard Deviation in ln(k): 4.139158378430778 +""", +) + +entry( + index = 897, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_6R!H-inRing_7R!H-inRing", + kinetics = ArrheniusBM(A=(51.4,'m^3/(mol*s)'), n=1.64, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_6R!H-inRing_7R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_6R!H-inRing_7R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_6R!H-inRing_7R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_6R!H-inRing_7R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 898, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_6R!H-inRing_N-7R!H-inRing", + kinetics = ArrheniusBM(A=(55,'m^3/(mol*s)'), n=1.64, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_6R!H-inRing_N-7R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_6R!H-inRing_N-7R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_6R!H-inRing_N-7R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2COS-R_Sp-2COS=1CCOOSS_N-5R!H-inRing_Sp-5R!H-2COS_Ext-2COS-R_Sp-4R!H-1COS_Ext-1COS-R_6R!H-inRing_N-7R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 899, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_Sp-4R!H-1R!H_N-4R!H-inRing_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(87.6237,'m^3/(mol*s)'), n=1.70829, w0=(291500,'J/mol'), E0=(61969.4,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_Sp-4R!H-1R!H_N-4R!H-inRing_Ext-4R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_Sp-4R!H-1R!H_N-4R!H-inRing_Ext-4R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_Sp-4R!H-1R!H_N-4R!H-inRing_Ext-4R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-1R!H-R_Sp-4R!H-1R!H_N-4R!H-inRing_Ext-4R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 900, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_N-Sp-2COS=1CCOOSS_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(2.03784e-07,'m^3/(mol*s)'), n=4.23795, w0=(322000,'J/mol'), E0=(32200,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=2.904579869894324, var=0.5733517991653517, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_N-Sp-2COS=1CCOOSS_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_N-Sp-2COS=1CCOOSS_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 8.815924718140455"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_N-Sp-2COS=1CCOOSS_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 8.815924718140455""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_N-Sp-2COS=1CCOOSS_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 8.815924718140455 +""", +) + +entry( + index = 901, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_Ext-2COS-R_Ext-8R!H-R_8R!H-inRing", + kinetics = ArrheniusBM(A=(35.9,'m^3/(mol*s)'), n=1.64, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_Ext-2COS-R_Ext-8R!H-R_8R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_Ext-2COS-R_Ext-8R!H-R_8R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_Ext-2COS-R_Ext-8R!H-R_8R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_Ext-2COS-R_Ext-8R!H-R_8R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 902, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_Ext-2COS-R_Ext-8R!H-R_N-8R!H-inRing", + kinetics = ArrheniusBM(A=(0.00340468,'m^3/(mol*s)'), n=2.83716, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.237918655568267, var=0.03390040018396214, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_Ext-2COS-R_Ext-8R!H-R_N-8R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_Ext-2COS-R_Ext-8R!H-R_N-8R!H-inRing + Total Standard Deviation in ln(k): 3.4794614324628332"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_Ext-2COS-R_Ext-8R!H-R_N-8R!H-inRing +Total Standard Deviation in ln(k): 3.4794614324628332""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_Ext-2COS-R_Ext-8R!H-R_N-8R!H-inRing +Total Standard Deviation in ln(k): 3.4794614324628332 +""", +) + +entry( + index = 903, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R", + kinetics = ArrheniusBM(A=(7597.18,'m^3/(mol*s)'), n=0.784156, w0=(298490,'J/mol'), E0=(75479.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1042682981834483, var=1.81517913191206, Tref=1000.0, N=148, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R',), comment="""BM rule fitted to 148 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R + Total Standard Deviation in ln(k): 2.96293182937876"""), + rank = 11, + shortDesc = """BM rule fitted to 148 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R +Total Standard Deviation in ln(k): 2.96293182937876""", + longDesc = +""" +BM rule fitted to 148 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R +Total Standard Deviation in ln(k): 2.96293182937876 +""", +) + +entry( + index = 904, + label = "Root_N-3R-inRing_Ext-3R-R", + kinetics = ArrheniusBM(A=(464447,'m^3/(mol*s)'), n=0.260144, w0=(299566,'J/mol'), E0=(78955.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.19074824962012066, var=16.228826991588665, Tref=1000.0, N=2199, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R',), comment="""BM rule fitted to 2199 training reactions at node Root_N-3R-inRing_Ext-3R-R + Total Standard Deviation in ln(k): 8.555345886114031"""), + rank = 11, + shortDesc = """BM rule fitted to 2199 training reactions at node Root_N-3R-inRing_Ext-3R-R +Total Standard Deviation in ln(k): 8.555345886114031""", + longDesc = +""" +BM rule fitted to 2199 training reactions at node Root_N-3R-inRing_Ext-3R-R +Total Standard Deviation in ln(k): 8.555345886114031 +""", +) + +entry( + index = 905, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(0.0351162,'m^3/(mol*s)'), n=2.21567, w0=(299214,'J/mol'), E0=(73819.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2115037494135421, var=5.7079015715995975, Tref=1000.0, N=154, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R',), comment="""BM rule fitted to 154 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R + Total Standard Deviation in ln(k): 5.320972143537814"""), + rank = 11, + shortDesc = """BM rule fitted to 154 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R +Total Standard Deviation in ln(k): 5.320972143537814""", + longDesc = +""" +BM rule fitted to 154 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R +Total Standard Deviation in ln(k): 5.320972143537814 +""", +) + +entry( + index = 906, + label = "Root_N-3R-inRing_3R->C_3C-u1_1R!H->S", + kinetics = ArrheniusBM(A=(0.017764,'m^3/(mol*s)'), n=2.75327, w0=(286500,'J/mol'), E0=(66801,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.02183044720731716, var=0.18946619648430052, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_3C-u1_1R!H->S',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_1R!H->S + Total Standard Deviation in ln(k): 0.9274657389544491"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_1R!H->S +Total Standard Deviation in ln(k): 0.9274657389544491""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_1R!H->S +Total Standard Deviation in ln(k): 0.9274657389544491 +""", +) + +entry( + index = 907, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S", + kinetics = ArrheniusBM(A=(4.04322e+09,'m^3/(mol*s)'), n=-1.77127, w0=(309783,'J/mol'), E0=(6803.31,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.7461544449582835, var=4.844505480161056, Tref=1000.0, N=30, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S',), comment="""BM rule fitted to 30 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S + Total Standard Deviation in ln(k): 6.287229398834376"""), + rank = 11, + shortDesc = """BM rule fitted to 30 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S +Total Standard Deviation in ln(k): 6.287229398834376""", + longDesc = +""" +BM rule fitted to 30 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S +Total Standard Deviation in ln(k): 6.287229398834376 +""", +) + +entry( + index = 908, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_Sp-5R!H-4R!H_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(98.4215,'m^3/(mol*s)'), n=1.55578, w0=(291500,'J/mol'), E0=(40476.4,'J/mol'), Tmin=(303.03,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_Sp-5R!H-4R!H_Ext-5R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_Sp-5R!H-4R!H_Ext-5R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_Sp-5R!H-4R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_Sp-5R!H-4R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 909, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_N-Sp-5R!H-4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(330.484,'m^3/(mol*s)'), n=1.57158, w0=(291500,'J/mol'), E0=(29150,'J/mol'), Tmin=(303.03,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_N-Sp-5R!H-4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_N-Sp-5R!H-4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_N-Sp-5R!H-4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_N-Sp-5R!H-4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 910, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_Ext-1R!H-R_Sp-5R!H-4R!H_Sp-6R!H-4R!H", + kinetics = ArrheniusBM(A=(81.1555,'m^3/(mol*s)'), n=1.68908, w0=(291500,'J/mol'), E0=(35495.9,'J/mol'), Tmin=(303.03,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_Ext-1R!H-R_Sp-5R!H-4R!H_Sp-6R!H-4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_Ext-1R!H-R_Sp-5R!H-4R!H_Sp-6R!H-4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_Ext-1R!H-R_Sp-5R!H-4R!H_Sp-6R!H-4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_Ext-1R!H-R_Sp-5R!H-4R!H_Sp-6R!H-4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 911, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_Ext-1R!H-R_Sp-5R!H-4R!H_N-Sp-6R!H-4R!H", + kinetics = ArrheniusBM(A=(230.866,'m^3/(mol*s)'), n=1.55329, w0=(291500,'J/mol'), E0=(43639.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.016046570925230486, var=3.166743877465652, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_Ext-1R!H-R_Sp-5R!H-4R!H_N-Sp-6R!H-4R!H',), comment="""BM rule fitted to 5 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_Ext-1R!H-R_Sp-5R!H-4R!H_N-Sp-6R!H-4R!H + Total Standard Deviation in ln(k): 3.607813724570956"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_Ext-1R!H-R_Sp-5R!H-4R!H_N-Sp-6R!H-4R!H +Total Standard Deviation in ln(k): 3.607813724570956""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_Ext-1R!H-R_Sp-5R!H-4R!H_N-Sp-6R!H-4R!H +Total Standard Deviation in ln(k): 3.607813724570956 +""", +) + +entry( + index = 912, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-4R!H-R_Int-6R!H-5R!H_Sp-6R!H-5R!H", + kinetics = ArrheniusBM(A=(81.1555,'m^3/(mol*s)'), n=1.68908, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(303.03,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-4R!H-R_Int-6R!H-5R!H_Sp-6R!H-5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-4R!H-R_Int-6R!H-5R!H_Sp-6R!H-5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-4R!H-R_Int-6R!H-5R!H_Sp-6R!H-5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-4R!H-R_Int-6R!H-5R!H_Sp-6R!H-5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 913, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-4R!H-R_Int-6R!H-5R!H_N-Sp-6R!H-5R!H", + kinetics = ArrheniusBM(A=(83750,'m^3/(mol*s)'), n=0.849, w0=(333500,'J/mol'), E0=(33350,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-4R!H-R_Int-6R!H-5R!H_N-Sp-6R!H-5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-4R!H-R_Int-6R!H-5R!H_N-Sp-6R!H-5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-4R!H-R_Int-6R!H-5R!H_N-Sp-6R!H-5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_N-Sp-2COS-=1R!H_1R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-4R!H-R_Int-6R!H-5R!H_N-Sp-6R!H-5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 914, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_N-Sp-2COS=1CCOOSS_Ext-5R!H-R_Ext-6R!H-R_Ext-9R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(1088,'m^3/(mol*s)'), n=1.419, w0=(322000,'J/mol'), E0=(32200,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_N-Sp-2COS=1CCOOSS_Ext-5R!H-R_Ext-6R!H-R_Ext-9R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_N-Sp-2COS=1CCOOSS_Ext-5R!H-R_Ext-6R!H-R_Ext-9R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_N-Sp-2COS=1CCOOSS_Ext-5R!H-R_Ext-6R!H-R_Ext-9R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_N-Sp-2COS=1CCOOSS_Ext-5R!H-R_Ext-6R!H-R_Ext-9R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 915, + label = "Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_Ext-2COS-R_Ext-8R!H-R_N-8R!H-inRing_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(50.3,'m^3/(mol*s)'), n=1.64, w0=(333500,'J/mol'), E0=(33350,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_Ext-2COS-R_Ext-8R!H-R_N-8R!H-inRing_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_Ext-2COS-R_Ext-8R!H-R_N-8R!H-inRing_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_Ext-2COS-R_Ext-8R!H-R_N-8R!H-inRing_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-2COS-inRing_N-1R!H->N_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2COS-R_Ext-2COS-R_Ext-8R!H-R_N-8R!H-inRing_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 916, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(1351.99,'m^3/(mol*s)'), n=0.916891, w0=(298992,'J/mol'), E0=(68594.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.03833591865863105, var=1.099894494231628, Tref=1000.0, N=122, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R',), comment="""BM rule fitted to 122 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R + Total Standard Deviation in ln(k): 2.198804454687423"""), + rank = 11, + shortDesc = """BM rule fitted to 122 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R +Total Standard Deviation in ln(k): 2.198804454687423""", + longDesc = +""" +BM rule fitted to 122 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R +Total Standard Deviation in ln(k): 2.198804454687423 +""", +) + +entry( + index = 917, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.00150411,'m^3/(mol*s)'), n=2.78419, w0=(297974,'J/mol'), E0=(29797.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.017684091594174063, var=6.903443724433007, Tref=1000.0, N=19, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R',), comment="""BM rule fitted to 19 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R + Total Standard Deviation in ln(k): 5.311754579760399"""), + rank = 11, + shortDesc = """BM rule fitted to 19 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R +Total Standard Deviation in ln(k): 5.311754579760399""", + longDesc = +""" +BM rule fitted to 19 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R +Total Standard Deviation in ln(k): 5.311754579760399 +""", +) + +entry( + index = 918, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_Sp-5R!H-4R!H", + kinetics = ArrheniusBM(A=(2.97136e-06,'m^3/(mol*s)'), n=3.5155, w0=(289500,'J/mol'), E0=(28950,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.912986898025515, var=0.049580554331472404, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_Sp-5R!H-4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_Sp-5R!H-4R!H + Total Standard Deviation in ln(k): 5.252887915688528"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_Sp-5R!H-4R!H +Total Standard Deviation in ln(k): 5.252887915688528""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_Sp-5R!H-4R!H +Total Standard Deviation in ln(k): 5.252887915688528 +""", +) + +entry( + index = 919, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_N-Sp-5R!H-4R!H", + kinetics = ArrheniusBM(A=(4.47758e-06,'m^3/(mol*s)'), n=3.53744, w0=(291800,'J/mol'), E0=(29180,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12310672631896205, var=4.251392696623524, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_N-Sp-5R!H-4R!H',), comment="""BM rule fitted to 5 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_N-Sp-5R!H-4R!H + Total Standard Deviation in ln(k): 4.442857721483239"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_N-Sp-5R!H-4R!H +Total Standard Deviation in ln(k): 4.442857721483239""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_N-Sp-5R!H-4R!H +Total Standard Deviation in ln(k): 4.442857721483239 +""", +) + +entry( + index = 920, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(7.13545e-11,'m^3/(mol*s)'), n=4.65759, w0=(299309,'J/mol'), E0=(49516.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1861898163117707, var=3.566341071739314, Tref=1000.0, N=1488, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R',), comment="""BM rule fitted to 1488 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R + Total Standard Deviation in ln(k): 4.253707407082371"""), + rank = 11, + shortDesc = """BM rule fitted to 1488 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 4.253707407082371""", + longDesc = +""" +BM rule fitted to 1488 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 4.253707407082371 +""", +) + +entry( + index = 921, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R", + kinetics = ArrheniusBM(A=(2.45593e+10,'m^3/(mol*s)'), n=-1.05303, w0=(300243,'J/mol'), E0=(86155,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3486145518010963, var=20.301660857287146, Tref=1000.0, N=447, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R',), comment="""BM rule fitted to 447 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R + Total Standard Deviation in ln(k): 9.908723847956418"""), + rank = 11, + shortDesc = """BM rule fitted to 447 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R +Total Standard Deviation in ln(k): 9.908723847956418""", + longDesc = +""" +BM rule fitted to 447 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R +Total Standard Deviation in ln(k): 9.908723847956418 +""", +) + +entry( + index = 922, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(174.3,'m^3/(mol*s)'), n=1.19389, w0=(301402,'J/mol'), E0=(71991.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07315231704918708, var=2.670834504625493, Tref=1000.0, N=230, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H',), comment="""BM rule fitted to 230 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 3.4600757771344908"""), + rank = 11, + shortDesc = """BM rule fitted to 230 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 3.4600757771344908""", + longDesc = +""" +BM rule fitted to 230 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 3.4600757771344908 +""", +) + +entry( + index = 923, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(1.69465e-09,'m^3/(mol*s)'), n=4.67688, w0=(289500,'J/mol'), E0=(28950,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.22499278587383234, var=1.3433897986958765, Tref=1000.0, N=34, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H',), comment="""BM rule fitted to 34 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 2.888890555167114"""), + rank = 11, + shortDesc = """BM rule fitted to 34 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 2.888890555167114""", + longDesc = +""" +BM rule fitted to 34 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 2.888890555167114 +""", +) + +entry( + index = 924, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(4.65047e-14,'m^3/(mol*s)'), n=5.39919, w0=(302123,'J/mol'), E0=(29408.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.3365307030045328, var=5.159626450605081, Tref=1000.0, N=65, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R',), comment="""BM rule fitted to 65 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R + Total Standard Deviation in ln(k): 7.911835210818174"""), + rank = 11, + shortDesc = """BM rule fitted to 65 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 7.911835210818174""", + longDesc = +""" +BM rule fitted to 65 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 7.911835210818174 +""", +) + +entry( + index = 925, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H", + kinetics = ArrheniusBM(A=(1.71228e-07,'m^3/(mol*s)'), n=4.32706, w0=(289500,'J/mol'), E0=(70308.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4326529621481395, var=2.103256015334261, Tref=1000.0, N=13, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H',), comment="""BM rule fitted to 13 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H + Total Standard Deviation in ln(k): 3.994456183635959"""), + rank = 11, + shortDesc = """BM rule fitted to 13 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H +Total Standard Deviation in ln(k): 3.994456183635959""", + longDesc = +""" +BM rule fitted to 13 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H +Total Standard Deviation in ln(k): 3.994456183635959 +""", +) + +entry( + index = 926, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H", + kinetics = ArrheniusBM(A=(0.217714,'m^3/(mol*s)'), n=2.07973, w0=(298388,'J/mol'), E0=(73677.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.25906942890583834, var=3.458675151536819, Tref=1000.0, N=76, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H',), comment="""BM rule fitted to 76 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H + Total Standard Deviation in ln(k): 4.379237016401635"""), + rank = 11, + shortDesc = """BM rule fitted to 76 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H +Total Standard Deviation in ln(k): 4.379237016401635""", + longDesc = +""" +BM rule fitted to 76 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H +Total Standard Deviation in ln(k): 4.379237016401635 +""", +) + +entry( + index = 927, + label = "Root_N-3R-inRing_3R->C_3C-u1_1R!H->S_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.026134,'m^3/(mol*s)'), n=2.70861, w0=(286500,'J/mol'), E0=(67271.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.023303125361878663, var=0.28517996537283424, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_3C-u1_1R!H->S_Ext-2R!H-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_1R!H->S_Ext-2R!H-R + Total Standard Deviation in ln(k): 1.1291240818472654"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_1R!H->S_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.1291240818472654""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_1R!H->S_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.1291240818472654 +""", +) + +entry( + index = 928, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_2R!H->S", + kinetics = ArrheniusBM(A=(0.0115,'m^3/(mol*s)'), n=2.8, w0=(323500,'J/mol'), E0=(32350,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_2R!H->S',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_2R!H->S + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_2R!H->S +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_2R!H->S +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 929, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S", + kinetics = ArrheniusBM(A=(4.14102e+09,'m^3/(mol*s)'), n=-1.77542, w0=(309310,'J/mol'), E0=(6765.82,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.7569841357346851, var=4.831968626308996, Tref=1000.0, N=29, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S',), comment="""BM rule fitted to 29 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S + Total Standard Deviation in ln(k): 6.308726573870944"""), + rank = 11, + shortDesc = """BM rule fitted to 29 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S +Total Standard Deviation in ln(k): 6.308726573870944""", + longDesc = +""" +BM rule fitted to 29 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S +Total Standard Deviation in ln(k): 6.308726573870944 +""", +) + +entry( + index = 930, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_Ext-1R!H-R_Sp-5R!H-4R!H_N-Sp-6R!H-4R!H_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(98.3,'m^3/(mol*s)'), n=1.663, w0=(291500,'J/mol'), E0=(42920.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04028026363975744, var=5.499669656415678, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_Ext-1R!H-R_Sp-5R!H-4R!H_N-Sp-6R!H-4R!H_Ext-7R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_Ext-1R!H-R_Sp-5R!H-4R!H_N-Sp-6R!H-4R!H_Ext-7R!H-R + Total Standard Deviation in ln(k): 4.802585998615472"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_Ext-1R!H-R_Sp-5R!H-4R!H_N-Sp-6R!H-4R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 4.802585998615472""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_Ext-1R!H-R_Sp-5R!H-4R!H_N-Sp-6R!H-4R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 4.802585998615472 +""", +) + +entry( + index = 931, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing", + kinetics = ArrheniusBM(A=(1301.32,'m^3/(mol*s)'), n=0.675079, w0=(297500,'J/mol'), E0=(52884.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.9213297983775462, var=4.338658015354595, Tref=1000.0, N=24, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing',), comment="""BM rule fitted to 24 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing + Total Standard Deviation in ln(k): 6.490651002721466"""), + rank = 11, + shortDesc = """BM rule fitted to 24 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing +Total Standard Deviation in ln(k): 6.490651002721466""", + longDesc = +""" +BM rule fitted to 24 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing +Total Standard Deviation in ln(k): 6.490651002721466 +""", +) + +entry( + index = 932, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing", + kinetics = ArrheniusBM(A=(0.00428229,'m^3/(mol*s)'), n=2.69923, w0=(299357,'J/mol'), E0=(62508.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08382930814456953, var=1.532698882140783, Tref=1000.0, N=98, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing',), comment="""BM rule fitted to 98 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing + Total Standard Deviation in ln(k): 2.692532864038524"""), + rank = 11, + shortDesc = """BM rule fitted to 98 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing +Total Standard Deviation in ln(k): 2.692532864038524""", + longDesc = +""" +BM rule fitted to 98 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing +Total Standard Deviation in ln(k): 2.692532864038524 +""", +) + +entry( + index = 933, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.059332,'m^3/(mol*s)'), n=2.34773, w0=(298125,'J/mol'), E0=(29812.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06082826496764228, var=17.100154488287977, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 12 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 8.442882096709324"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 8.442882096709324""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 8.442882096709324 +""", +) + +entry( + index = 934, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Sp-5R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000136116,'m^3/(mol*s)'), n=3.14725, w0=(296400,'J/mol'), E0=(29640,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03280575538948689, var=1.04551245426027, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Sp-5R!H-2R!H',), comment="""BM rule fitted to 5 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Sp-5R!H-2R!H + Total Standard Deviation in ln(k): 2.1322742198073974"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Sp-5R!H-2R!H +Total Standard Deviation in ln(k): 2.1322742198073974""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Sp-5R!H-2R!H +Total Standard Deviation in ln(k): 2.1322742198073974 +""", +) + +entry( + index = 935, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(35.6,'m^3/(mol*s)'), n=1.489, w0=(289500,'J/mol'), E0=(28950,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_Sp-6R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 936, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(2.034,'m^3/(mol*s)'), n=1.842, w0=(289500,'J/mol'), E0=(28950,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 937, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(1.56022e-06,'m^3/(mol*s)'), n=3.68435, w0=(289500,'J/mol'), E0=(28950,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.4097679323473575, var=7.775616296754492, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-4R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-4R!H-R + Total Standard Deviation in ln(k): 9.132292565335097"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-4R!H-R +Total Standard Deviation in ln(k): 9.132292565335097""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-4R!H-R +Total Standard Deviation in ln(k): 9.132292565335097 +""", +) + +entry( + index = 938, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(0.0226,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-2R!H=1R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 939, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(2.47206e-05,'m^3/(mol*s)'), n=3.2964, w0=(289500,'J/mol'), E0=(28950,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.702627155462103, var=1.0949218234063731, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-Sp-2R!H=1R!H',), comment="""BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 6.375682635446364"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 6.375682635446364""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 6.375682635446364 +""", +) + +entry( + index = 940, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(2.23446e-08,'m^3/(mol*s)'), n=3.85337, w0=(299413,'J/mol'), E0=(54650.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.13925900486571086, var=2.161199871160629, Tref=1000.0, N=1041, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R',), comment="""BM rule fitted to 1041 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R + Total Standard Deviation in ln(k): 3.297062030776488"""), + rank = 11, + shortDesc = """BM rule fitted to 1041 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 3.297062030776488""", + longDesc = +""" +BM rule fitted to 1041 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 3.297062030776488 +""", +) + +entry( + index = 941, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H", + kinetics = ArrheniusBM(A=(6.75053e-08,'m^3/(mol*s)'), n=4.03949, w0=(289500,'J/mol'), E0=(58530.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1773253575370632, var=2.9791012234289207, Tref=1000.0, N=63, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H',), comment="""BM rule fitted to 63 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H + Total Standard Deviation in ln(k): 3.905728491295238"""), + rank = 11, + shortDesc = """BM rule fitted to 63 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H +Total Standard Deviation in ln(k): 3.905728491295238""", + longDesc = +""" +BM rule fitted to 63 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H +Total Standard Deviation in ln(k): 3.905728491295238 +""", +) + +entry( + index = 942, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H", + kinetics = ArrheniusBM(A=(5.38118e-17,'m^3/(mol*s)'), n=6.40277, w0=(300635,'J/mol'), E0=(30913.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.281488582376035, var=4.239020890919868, Tref=1000.0, N=384, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H',), comment="""BM rule fitted to 384 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H + Total Standard Deviation in ln(k): 4.834783271485008"""), + rank = 11, + shortDesc = """BM rule fitted to 384 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H +Total Standard Deviation in ln(k): 4.834783271485008""", + longDesc = +""" +BM rule fitted to 384 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H +Total Standard Deviation in ln(k): 4.834783271485008 +""", +) + +entry( + index = 943, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C", + kinetics = ArrheniusBM(A=(0.0118773,'m^3/(mol*s)'), n=2.44292, w0=(299520,'J/mol'), E0=(23397.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10108735728968206, var=5.403988018445817, Tref=1000.0, N=422, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C',), comment="""BM rule fitted to 422 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C + Total Standard Deviation in ln(k): 4.914291591381964"""), + rank = 11, + shortDesc = """BM rule fitted to 422 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C +Total Standard Deviation in ln(k): 4.914291591381964""", + longDesc = +""" +BM rule fitted to 422 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C +Total Standard Deviation in ln(k): 4.914291591381964 +""", +) + +entry( + index = 944, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->O", + kinetics = ArrheniusBM(A=(520000,'m^3/(mol*s)'), n=0, w0=(393500,'J/mol'), E0=(95494.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 945, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O", + kinetics = ArrheniusBM(A=(92.5044,'m^3/(mol*s)'), n=1.27244, w0=(301000,'J/mol'), E0=(70876.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0650114770829459, var=2.6576459383487587, Tref=1000.0, N=229, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O',), comment="""BM rule fitted to 229 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O + Total Standard Deviation in ln(k): 3.4315222781143975"""), + rank = 11, + shortDesc = """BM rule fitted to 229 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O +Total Standard Deviation in ln(k): 3.4315222781143975""", + longDesc = +""" +BM rule fitted to 229 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O +Total Standard Deviation in ln(k): 3.4315222781143975 +""", +) + +entry( + index = 946, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(8.09173e-06,'m^3/(mol*s)'), n=3.51754, w0=(289500,'J/mol'), E0=(28950,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10494590866961478, var=2.2688151082348846, Tref=1000.0, N=24, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R',), comment="""BM rule fitted to 24 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 3.2833327306004088"""), + rank = 11, + shortDesc = """BM rule fitted to 24 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.2833327306004088""", + longDesc = +""" +BM rule fitted to 24 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.2833327306004088 +""", +) + +entry( + index = 947, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(5.00889e-10,'m^3/(mol*s)'), n=4.67455, w0=(289500,'J/mol'), E0=(28950,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.21457995219725726, var=0.6777648602318892, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-1R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-1R!H-R + Total Standard Deviation in ln(k): 2.1895733450144186"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-1R!H-R +Total Standard Deviation in ln(k): 2.1895733450144186""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-1R!H-R +Total Standard Deviation in ln(k): 2.1895733450144186 +""", +) + +entry( + index = 948, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.0243,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(28950,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 949, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(47.8224,'m^3/(mol*s)'), n=1.30241, w0=(300208,'J/mol'), E0=(81264.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.27048739206261974, var=1.7489161376437787, Tref=1000.0, N=53, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R',), comment="""BM rule fitted to 53 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R + Total Standard Deviation in ln(k): 3.33081040273881"""), + rank = 11, + shortDesc = """BM rule fitted to 53 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.33081040273881""", + longDesc = +""" +BM rule fitted to 53 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.33081040273881 +""", +) + +entry( + index = 950, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_2R!H->O", + kinetics = ArrheniusBM(A=(31600,'m^3/(mol*s)'), n=0, w0=(393500,'J/mol'), E0=(51039.2,'J/mol'), Tmin=(413,'K'), Tmax=(563,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_2R!H->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_2R!H->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_2R!H->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_2R!H->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 951, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-2R!H->O", + kinetics = ArrheniusBM(A=(4.84232e-14,'m^3/(mol*s)'), n=5.37802, w0=(303045,'J/mol'), E0=(29410.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.2662988977272296, var=4.702958152388587, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-2R!H->O',), comment="""BM rule fitted to 11 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-2R!H->O + Total Standard Deviation in ln(k): 7.529185112133276"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-2R!H->O +Total Standard Deviation in ln(k): 7.529185112133276""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-2R!H->O +Total Standard Deviation in ln(k): 7.529185112133276 +""", +) + +entry( + index = 952, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(5.05921e-14,'m^3/(mol*s)'), n=6.00482, w0=(289500,'J/mol'), E0=(30800.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.20938816163408916, var=3.274849720832236, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_Ext-2R!H-R',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 4.153978935261282"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 4.153978935261282""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 4.153978935261282 +""", +) + +entry( + index = 953, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.5632,'m^3/(mol*s)'), n=2.488, w0=(289500,'J/mol'), E0=(87971.7,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 954, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00152808,'m^3/(mol*s)'), n=2.93461, w0=(289500,'J/mol'), E0=(76322.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.23561280019975328, var=1.5570493622881867, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_N-4R!H-inRing',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 3.0935361547213414"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 3.0935361547213414""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 3.0935361547213414 +""", +) + +entry( + index = 955, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(8705.09,'m^3/(mol*s)'), n=0.818675, w0=(295492,'J/mol'), E0=(83213.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.17877577667040703, var=4.306503413942541, Tref=1000.0, N=61, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R',), comment="""BM rule fitted to 61 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 4.609434966746403"""), + rank = 11, + shortDesc = """BM rule fitted to 61 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 4.609434966746403""", + longDesc = +""" +BM rule fitted to 61 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 4.609434966746403 +""", +) + +entry( + index = 956, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_2R!H->S", + kinetics = ArrheniusBM(A=(1.32987e-10,'m^3/(mol*s)'), n=4.65411, w0=(323500,'J/mol'), E0=(19365.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.373409522902914, var=0.004263426877970153, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_2R!H->S',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_2R!H->S + Total Standard Deviation in ln(k): 3.581676716843538"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_2R!H->S +Total Standard Deviation in ln(k): 3.581676716843538""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_2R!H->S +Total Standard Deviation in ln(k): 3.581676716843538 +""", +) + +entry( + index = 957, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S", + kinetics = ArrheniusBM(A=(2.82709e-18,'m^3/(mol*s)'), n=6.82036, w0=(308115,'J/mol'), E0=(4352.02,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4477493880501877, var=1.6927305903665912, Tref=1000.0, N=13, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S',), comment="""BM rule fitted to 13 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S + Total Standard Deviation in ln(k): 3.7332586403184864"""), + rank = 11, + shortDesc = """BM rule fitted to 13 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S +Total Standard Deviation in ln(k): 3.7332586403184864""", + longDesc = +""" +BM rule fitted to 13 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S +Total Standard Deviation in ln(k): 3.7332586403184864 +""", +) + +entry( + index = 958, + label = "Root_N-3R-inRing_3R->C_3C-u1_1R!H->S_Ext-2R!H-R_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(9.62826e-12,'m^3/(mol*s)'), n=5.51026, w0=(286500,'J/mol'), E0=(28650,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=2.440611983539063, var=0.9052040223650154, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_3C-u1_1R!H->S_Ext-2R!H-R_Ext-4R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_1R!H->S_Ext-2R!H-R_Ext-4R!H-R + Total Standard Deviation in ln(k): 8.039540181224611"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_1R!H->S_Ext-2R!H-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 8.039540181224611""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_1R!H->S_Ext-2R!H-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 8.039540181224611 +""", +) + +entry( + index = 959, + label = "Root_N-3R-inRing_3R->C_3C-u1_1R!H->S_Ext-2R!H-R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.00529,'m^3/(mol*s)'), n=2.7, w0=(286500,'J/mol'), E0=(54502.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_3C-u1_1R!H->S_Ext-2R!H-R_Ext-2R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_1R!H->S_Ext-2R!H-R_Ext-2R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_1R!H->S_Ext-2R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_1R!H->S_Ext-2R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 960, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R", + kinetics = ArrheniusBM(A=(8.03396e-14,'m^3/(mol*s)'), n=5.67812, w0=(298909,'J/mol'), E0=(17970.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2417782026906007, var=14.51519972561542, Tref=1000.0, N=22, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R',), comment="""BM rule fitted to 22 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R + Total Standard Deviation in ln(k): 8.245286710611369"""), + rank = 11, + shortDesc = """BM rule fitted to 22 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R +Total Standard Deviation in ln(k): 8.245286710611369""", + longDesc = +""" +BM rule fitted to 22 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R +Total Standard Deviation in ln(k): 8.245286710611369 +""", +) + +entry( + index = 961, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Sp-2CNO=1CCNNO", + kinetics = ArrheniusBM(A=(1.07714e-12,'m^3/(mol*s)'), n=5.3621, w0=(338000,'J/mol'), E0=(-2383.72,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.7202712624020127, var=7.6726424546397345, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Sp-2CNO=1CCNNO',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Sp-2CNO=1CCNNO + Total Standard Deviation in ln(k): 9.875312570834637"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Sp-2CNO=1CCNNO +Total Standard Deviation in ln(k): 9.875312570834637""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Sp-2CNO=1CCNNO +Total Standard Deviation in ln(k): 9.875312570834637 +""", +) + +entry( + index = 962, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_N-Sp-2CNO=1CCNNO", + kinetics = ArrheniusBM(A=(7.81572e+21,'m^3/(mol*s)'), n=-5.63281, w0=(352000,'J/mol'), E0=(53687.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.8182764262934893, var=1.1718426064521752, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_N-Sp-2CNO=1CCNNO',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_N-Sp-2CNO=1CCNNO + Total Standard Deviation in ln(k): 4.22613030650584"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_N-Sp-2CNO=1CCNNO +Total Standard Deviation in ln(k): 4.22613030650584""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_N-Sp-2CNO=1CCNNO +Total Standard Deviation in ln(k): 4.22613030650584 +""", +) + +entry( + index = 963, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_Ext-1R!H-R_Sp-5R!H-4R!H_N-Sp-6R!H-4R!H_Ext-7R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(21.8349,'m^3/(mol*s)'), n=1.84289, w0=(291500,'J/mol'), E0=(39589.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.21535709522426758, var=27.720606167621803, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_Ext-1R!H-R_Sp-5R!H-4R!H_N-Sp-6R!H-4R!H_Ext-7R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_Ext-1R!H-R_Sp-5R!H-4R!H_N-Sp-6R!H-4R!H_Ext-7R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 11.09610097934826"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_Ext-1R!H-R_Sp-5R!H-4R!H_N-Sp-6R!H-4R!H_Ext-7R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.09610097934826""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_Ext-1R!H-R_Sp-5R!H-4R!H_N-Sp-6R!H-4R!H_Ext-7R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.09610097934826 +""", +) + +entry( + index = 964, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_Ext-1R!H-R_Sp-5R!H-4R!H_N-Sp-6R!H-4R!H_Ext-7R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(272.92,'m^3/(mol*s)'), n=1.4845, w0=(291500,'J/mol'), E0=(42850,'J/mol'), Tmin=(303.03,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_Ext-1R!H-R_Sp-5R!H-4R!H_N-Sp-6R!H-4R!H_Ext-7R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_Ext-1R!H-R_Sp-5R!H-4R!H_N-Sp-6R!H-4R!H_Ext-7R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_Ext-1R!H-R_Sp-5R!H-4R!H_N-Sp-6R!H-4R!H_Ext-7R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_Ext-1R!H-R_Sp-5R!H-4R!H_N-Sp-6R!H-4R!H_Ext-7R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 965, + label = "Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_Ext-1R!H-R_Sp-5R!H-4R!H_N-Sp-6R!H-4R!H_Ext-7R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(1559.37,'m^3/(mol*s)'), n=1.39654, w0=(291500,'J/mol'), E0=(51035.7,'J/mol'), Tmin=(303.03,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_Ext-1R!H-R_Sp-5R!H-4R!H_N-Sp-6R!H-4R!H_Ext-7R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_Ext-1R!H-R_Sp-5R!H-4R!H_N-Sp-6R!H-4R!H_Ext-7R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_Ext-1R!H-R_Sp-5R!H-4R!H_N-Sp-6R!H-4R!H_Ext-7R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_2COS-inRing_Sp-2COS-=1R!H_Ext-2COS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-4R!H-R_N-5R!H-u1_Ext-1R!H-R_Sp-5R!H-4R!H_N-Sp-6R!H-4R!H_Ext-7R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 966, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(0.283371,'m^3/(mol*s)'), n=1.84157, w0=(297500,'J/mol'), E0=(63843.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.15744908452412915, var=0.6203037122420348, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R',), comment="""BM rule fitted to 12 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R + Total Standard Deviation in ln(k): 1.974517274147114"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 1.974517274147114""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 1.974517274147114 +""", +) + +entry( + index = 967, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(9299.23,'m^3/(mol*s)'), n=0.40455, w0=(297182,'J/mol'), E0=(50659,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.42513538896165515, var=0.7252010661909815, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 11 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 2.7753864618918804"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.7753864618918804""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.7753864618918804 +""", +) + +entry( + index = 968, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(124034,'m^3/(mol*s)'), n=0.419471, w0=(301000,'J/mol'), E0=(78215.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.19830265132094752, var=0.7806779397367635, Tref=1000.0, N=44, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R',), comment="""BM rule fitted to 44 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R + Total Standard Deviation in ln(k): 2.2695512138668703"""), + rank = 11, + shortDesc = """BM rule fitted to 44 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 2.2695512138668703""", + longDesc = +""" +BM rule fitted to 44 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 2.2695512138668703 +""", +) + +entry( + index = 969, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(1.05447,'m^3/(mol*s)'), n=1.95326, w0=(298476,'J/mol'), E0=(29847.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.04327886750932716, var=1.913972221429319, Tref=1000.0, N=41, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 41 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 2.8822193794921254"""), + rank = 11, + shortDesc = """BM rule fitted to 41 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.8822193794921254""", + longDesc = +""" +BM rule fitted to 41 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.8822193794921254 +""", +) + +entry( + index = 970, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H", + kinetics = ArrheniusBM(A=(1.38882e-08,'m^3/(mol*s)'), n=4.24633, w0=(295773,'J/mol'), E0=(12202.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1587297832258235, var=1.2167122067477687, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H',), comment="""BM rule fitted to 11 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H + Total Standard Deviation in ln(k): 2.61013512985152"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H +Total Standard Deviation in ln(k): 2.61013512985152""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H +Total Standard Deviation in ln(k): 2.61013512985152 +""", +) + +entry( + index = 971, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_N-Sp-5R!H-1R!H", + kinetics = ArrheniusBM(A=(1.12116e-07,'m^3/(mol*s)'), n=4.14109, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.7611895441654045, var=0.448477203316633, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_N-Sp-5R!H-1R!H',), comment="""BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_N-Sp-5R!H-1R!H + Total Standard Deviation in ln(k): 3.255076362137843"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_N-Sp-5R!H-1R!H +Total Standard Deviation in ln(k): 3.255076362137843""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_N-Sp-5R!H-1R!H +Total Standard Deviation in ln(k): 3.255076362137843 +""", +) + +entry( + index = 972, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_5R!H-inRing", + kinetics = ArrheniusBM(A=(32.6467,'m^3/(mol*s)'), n=1.42696, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.0165023106698778, var=1.2466020714493422, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_5R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_5R!H-inRing + Total Standard Deviation in ln(k): 4.792339392954612"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_5R!H-inRing +Total Standard Deviation in ln(k): 4.792339392954612""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_5R!H-inRing +Total Standard Deviation in ln(k): 4.792339392954612 +""", +) + +entry( + index = 973, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing", + kinetics = ArrheniusBM(A=(0.0523678,'m^3/(mol*s)'), n=2.36595, w0=(297550,'J/mol'), E0=(29755,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06247879587963176, var=18.004769347682803, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing',), comment="""BM rule fitted to 10 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing + Total Standard Deviation in ln(k): 8.663479238300411"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing +Total Standard Deviation in ln(k): 8.663479238300411""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing +Total Standard Deviation in ln(k): 8.663479238300411 +""", +) + +entry( + index = 974, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Sp-5R!H-2R!H_Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(0.00101566,'m^3/(mol*s)'), n=2.8083, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.9889079868321314, var=2.3459664366073323, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Sp-5R!H-2R!H_Sp-2R!H=1R!H',), comment="""BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Sp-5R!H-2R!H_Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 5.555255544974901"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Sp-5R!H-2R!H_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 5.555255544974901""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Sp-5R!H-2R!H_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 5.555255544974901 +""", +) + +entry( + index = 975, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.21345,'m^3/(mol*s)'), n=2.28, w0=(289500,'J/mol'), E0=(28950,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 976, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.00974663,'m^3/(mol*s)'), n=2.33926, w0=(299496,'J/mol'), E0=(71829,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.040677748006973206, var=2.1292143199595706, Tref=1000.0, N=260, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R',), comment="""BM rule fitted to 260 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 3.027480255411104"""), + rank = 11, + shortDesc = """BM rule fitted to 260 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 3.027480255411104""", + longDesc = +""" +BM rule fitted to 260 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 3.027480255411104 +""", +) + +entry( + index = 977, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(1.57758e-10,'m^3/(mol*s)'), n=4.26013, w0=(299789,'J/mol'), E0=(43305.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.21891521429186847, var=2.0953712833829155, Tref=1000.0, N=342, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R',), comment="""BM rule fitted to 342 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R + Total Standard Deviation in ln(k): 3.451971908833327"""), + rank = 11, + shortDesc = """BM rule fitted to 342 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 3.451971908833327""", + longDesc = +""" +BM rule fitted to 342 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 3.451971908833327 +""", +) + +entry( + index = 978, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(1.69941e-05,'m^3/(mol*s)'), n=2.94967, w0=(298346,'J/mol'), E0=(58921.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0910085420885635, var=1.2192112169303282, Tref=1000.0, N=13, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R',), comment="""BM rule fitted to 13 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 2.442251008869653"""), + rank = 11, + shortDesc = """BM rule fitted to 13 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.442251008869653""", + longDesc = +""" +BM rule fitted to 13 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.442251008869653 +""", +) + +entry( + index = 979, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(6.3307e-09,'m^3/(mol*s)'), n=3.90367, w0=(298346,'J/mol'), E0=(39894.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1852562217415212, var=1.462555036680389, Tref=1000.0, N=26, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R',), comment="""BM rule fitted to 26 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 2.8899171475244567"""), + rank = 11, + shortDesc = """BM rule fitted to 26 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.8899171475244567""", + longDesc = +""" +BM rule fitted to 26 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.8899171475244567 +""", +) + +entry( + index = 980, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(1.98185e-12,'m^3/(mol*s)'), n=5.0519, w0=(299392,'J/mol'), E0=(45038.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.26940192513303257, var=1.5896327218817634, Tref=1000.0, N=348, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R',), comment="""BM rule fitted to 348 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R + Total Standard Deviation in ln(k): 3.204472030172697"""), + rank = 11, + shortDesc = """BM rule fitted to 348 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 3.204472030172697""", + longDesc = +""" +BM rule fitted to 348 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 3.204472030172697 +""", +) + +entry( + index = 981, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing", + kinetics = ArrheniusBM(A=(0.00106514,'m^3/(mol*s)'), n=2.48604, w0=(301000,'J/mol'), E0=(71663,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.004431325121613613, var=0.11754519714153795, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing + Total Standard Deviation in ln(k): 0.6984546985884353"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing +Total Standard Deviation in ln(k): 0.6984546985884353""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing +Total Standard Deviation in ln(k): 0.6984546985884353 +""", +) + +entry( + index = 982, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing", + kinetics = ArrheniusBM(A=(0.00250368,'m^3/(mol*s)'), n=2.73282, w0=(297618,'J/mol'), E0=(74548.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.24445069935245253, var=0.8777207886019697, Tref=1000.0, N=34, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing',), comment="""BM rule fitted to 34 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing + Total Standard Deviation in ln(k): 2.4923689585493816"""), + rank = 11, + shortDesc = """BM rule fitted to 34 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing +Total Standard Deviation in ln(k): 2.4923689585493816""", + longDesc = +""" +BM rule fitted to 34 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing +Total Standard Deviation in ln(k): 2.4923689585493816 +""", +) + +entry( + index = 983, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R", + kinetics = ArrheniusBM(A=(0.000842024,'m^3/(mol*s)'), n=2.88247, w0=(289500,'J/mol'), E0=(68217.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.007064481386452778, var=1.6671353416618255, Tref=1000.0, N=58, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R',), comment="""BM rule fitted to 58 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R + Total Standard Deviation in ln(k): 2.6062156773429526"""), + rank = 11, + shortDesc = """BM rule fitted to 58 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R +Total Standard Deviation in ln(k): 2.6062156773429526""", + longDesc = +""" +BM rule fitted to 58 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R +Total Standard Deviation in ln(k): 2.6062156773429526 +""", +) + +entry( + index = 984, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_N-Sp-4R!H-3R", + kinetics = ArrheniusBM(A=(0.000234293,'m^3/(mol*s)'), n=2.98588, w0=(289500,'J/mol'), E0=(73276.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6987055529095573, var=19.941607515756964, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_N-Sp-4R!H-3R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_N-Sp-4R!H-3R + Total Standard Deviation in ln(k): 10.707891973938404"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_N-Sp-4R!H-3R +Total Standard Deviation in ln(k): 10.707891973938404""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_N-Sp-4R!H-3R +Total Standard Deviation in ln(k): 10.707891973938404 +""", +) + +entry( + index = 985, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R", + kinetics = ArrheniusBM(A=(2.97528e-18,'m^3/(mol*s)'), n=6.74493, w0=(300853,'J/mol'), E0=(26705.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3436408171105115, var=2.0959932671659685, Tref=1000.0, N=380, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R',), comment="""BM rule fitted to 380 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R + Total Standard Deviation in ln(k): 3.7657834891646527"""), + rank = 11, + shortDesc = """BM rule fitted to 380 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R +Total Standard Deviation in ln(k): 3.7657834891646527""", + longDesc = +""" +BM rule fitted to 380 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R +Total Standard Deviation in ln(k): 3.7657834891646527 +""", +) + +entry( + index = 986, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_N-Sp-4R!H-3R", + kinetics = ArrheniusBM(A=(1.73306e+14,'m^3/(mol*s)'), n=-2.07942, w0=(280000,'J/mol'), E0=(100092,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.48316428315877546, var=293.0547622976881, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_N-Sp-4R!H-3R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_N-Sp-4R!H-3R + Total Standard Deviation in ln(k): 35.532724289589545"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_N-Sp-4R!H-3R +Total Standard Deviation in ln(k): 35.532724289589545""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_N-Sp-4R!H-3R +Total Standard Deviation in ln(k): 35.532724289589545 +""", +) + +entry( + index = 987, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(3.22117e-05,'m^3/(mol*s)'), n=2.97173, w0=(299656,'J/mol'), E0=(53048.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04686302686009749, var=1.8029385744576516, Tref=1000.0, N=355, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R',), comment="""BM rule fitted to 355 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R + Total Standard Deviation in ln(k): 2.809575218948063"""), + rank = 11, + shortDesc = """BM rule fitted to 355 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R +Total Standard Deviation in ln(k): 2.809575218948063""", + longDesc = +""" +BM rule fitted to 355 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R +Total Standard Deviation in ln(k): 2.809575218948063 +""", +) + +entry( + index = 988, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(1.81285,'m^3/(mol*s)'), n=1.46338, w0=(301000,'J/mol'), E0=(78195.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.7711343501935464, var=8.944851962853761, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 10.445837024723735"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 10.445837024723735""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 10.445837024723735 +""", +) + +entry( + index = 989, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C", + kinetics = ArrheniusBM(A=(3.79683,'m^3/(mol*s)'), n=1.56225, w0=(301000,'J/mol'), E0=(56468,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07879046849495823, var=0.43198546607088645, Tref=1000.0, N=15, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C',), comment="""BM rule fitted to 15 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C + Total Standard Deviation in ln(k): 1.5155901844883857"""), + rank = 11, + shortDesc = """BM rule fitted to 15 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C +Total Standard Deviation in ln(k): 1.5155901844883857""", + longDesc = +""" +BM rule fitted to 15 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C +Total Standard Deviation in ln(k): 1.5155901844883857 +""", +) + +entry( + index = 990, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_N-Sp-2CO=1C", + kinetics = ArrheniusBM(A=(1.65913e-06,'m^3/(mol*s)'), n=3.45464, w0=(289500,'J/mol'), E0=(33049.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06180799882123668, var=4.10926293905831, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_N-Sp-2CO=1C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_N-Sp-2CO=1C + Total Standard Deviation in ln(k): 4.219158509839892"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_N-Sp-2CO=1C +Total Standard Deviation in ln(k): 4.219158509839892""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_N-Sp-2CO=1C +Total Standard Deviation in ln(k): 4.219158509839892 +""", +) + +entry( + index = 991, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(9.68683,'m^3/(mol*s)'), n=1.53371, w0=(301000,'J/mol'), E0=(67795.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.011949819032560403, var=3.0689775873628196, Tref=1000.0, N=206, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R',), comment="""BM rule fitted to 206 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R + Total Standard Deviation in ln(k): 3.5420193384230285"""), + rank = 11, + shortDesc = """BM rule fitted to 206 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R +Total Standard Deviation in ln(k): 3.5420193384230285""", + longDesc = +""" +BM rule fitted to 206 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R +Total Standard Deviation in ln(k): 3.5420193384230285 +""", +) + +entry( + index = 992, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R", + kinetics = ArrheniusBM(A=(109.079,'m^3/(mol*s)'), n=1.34042, w0=(301000,'J/mol'), E0=(68016.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.25992887177489155, var=0.6295448609145805, Tref=1000.0, N=21, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R',), comment="""BM rule fitted to 21 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R + Total Standard Deviation in ln(k): 2.2437218725361054"""), + rank = 11, + shortDesc = """BM rule fitted to 21 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R +Total Standard Deviation in ln(k): 2.2437218725361054""", + longDesc = +""" +BM rule fitted to 21 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R +Total Standard Deviation in ln(k): 2.2437218725361054 +""", +) + +entry( + index = 993, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.00759,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 994, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.000615568,'m^3/(mol*s)'), n=2.94501, w0=(289500,'J/mol'), E0=(28950,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.050695663037105945, var=3.0016950624640235, Tref=1000.0, N=16, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 16 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 3.600659870766279"""), + rank = 11, + shortDesc = """BM rule fitted to 16 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 3.600659870766279""", + longDesc = +""" +BM rule fitted to 16 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 3.600659870766279 +""", +) + +entry( + index = 995, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(2.47364e-10,'m^3/(mol*s)'), n=4.88381, w0=(289500,'J/mol'), E0=(28950,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.23440876191523427, var=0.6775968541992853, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-1R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-1R!H-R + Total Standard Deviation in ln(k): 2.2391899062230585"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 2.2391899062230585""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 2.2391899062230585 +""", +) + +entry( + index = 996, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.0645,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(28950,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 997, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-1R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(5.78263e-10,'m^3/(mol*s)'), n=4.62305, w0=(289500,'J/mol'), E0=(28950,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.20969971781126853, var=0.9812356497303563, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-1R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-1R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 2.5127209436183553"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-1R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 2.5127209436183553""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-1R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 2.5127209436183553 +""", +) + +entry( + index = 998, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-1R!H-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.0502,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(28950,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-1R!H-R_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-1R!H-R_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-1R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-1R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 999, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000231121,'m^3/(mol*s)'), n=2.73657, w0=(297182,'J/mol'), E0=(70361,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08494145020774375, var=0.43613403367822995, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing',), comment="""BM rule fitted to 11 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 1.5373566894255255"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 1.5373566894255255""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 1.5373566894255255 +""", +) + +entry( + index = 1000, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0352782,'m^3/(mol*s)'), n=2.25808, w0=(301000,'J/mol'), E0=(69833.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.029586477610578466, var=0.7166212710979603, Tref=1000.0, N=42, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 42 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 1.7714160137755994"""), + rank = 11, + shortDesc = """BM rule fitted to 42 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 1.7714160137755994""", + longDesc = +""" +BM rule fitted to 42 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 1.7714160137755994 +""", +) + +entry( + index = 1001, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-2R!H->O_1R!H-inRing", + kinetics = ArrheniusBM(A=(0.000263,'m^3/(mol*s)'), n=2.89, w0=(301000,'J/mol'), E0=(60323.8,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-2R!H->O_1R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-2R!H->O_1R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-2R!H->O_1R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-2R!H->O_1R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1002, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-2R!H->O_N-1R!H-inRing", + kinetics = ArrheniusBM(A=(1.8314e-05,'m^3/(mol*s)'), n=2.95407, w0=(303250,'J/mol'), E0=(68968.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3822450829096179, var=0.8841024240926951, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-2R!H->O_N-1R!H-inRing',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-2R!H->O_N-1R!H-inRing + Total Standard Deviation in ln(k): 2.8454014369427156"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-2R!H->O_N-1R!H-inRing +Total Standard Deviation in ln(k): 2.8454014369427156""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-2R!H->O_N-1R!H-inRing +Total Standard Deviation in ln(k): 2.8454014369427156 +""", +) + +entry( + index = 1003, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_Ext-2R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(4.54158e-11,'m^3/(mol*s)'), n=5.0809, w0=(289500,'J/mol'), E0=(-6505.97,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.253084369246274, var=4.125399599095244, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_Ext-2R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_Ext-2R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 4.7077237749869605"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_Ext-2R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 4.7077237749869605""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_Ext-2R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 4.7077237749869605 +""", +) + +entry( + index = 1004, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_Ext-2R!H-R_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(1.20025e-16,'m^3/(mol*s)'), n=6.74606, w0=(289500,'J/mol'), E0=(4144.57,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.010842095405620696, var=5.694203820265293, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_Ext-2R!H-R_Ext-4R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_Ext-2R!H-R_Ext-4R!H-R + Total Standard Deviation in ln(k): 4.811046723313455"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_Ext-2R!H-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 4.811046723313455""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_Ext-2R!H-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 4.811046723313455 +""", +) + +entry( + index = 1005, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_N-4R!H-inRing_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(0.0148407,'m^3/(mol*s)'), n=2.62134, w0=(289500,'J/mol'), E0=(80166.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.00015701419529387092, var=1.9650432284178023, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_N-4R!H-inRing_Ext-4R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_N-4R!H-inRing_Ext-4R!H-R + Total Standard Deviation in ln(k): 2.8106321312375364"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_N-4R!H-inRing_Ext-4R!H-R +Total Standard Deviation in ln(k): 2.8106321312375364""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_N-4R!H-inRing_Ext-4R!H-R +Total Standard Deviation in ln(k): 2.8106321312375364 +""", +) + +entry( + index = 1006, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H", + kinetics = ArrheniusBM(A=(4.67574e+07,'m^3/(mol*s)'), n=-0.257346, w0=(299320,'J/mol'), E0=(95367.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.28202013917084334, var=2.857724387138731, Tref=1000.0, N=50, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H',), comment="""BM rule fitted to 50 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H + Total Standard Deviation in ln(k): 4.097558909788234"""), + rank = 11, + shortDesc = """BM rule fitted to 50 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H +Total Standard Deviation in ln(k): 4.097558909788234""", + longDesc = +""" +BM rule fitted to 50 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H +Total Standard Deviation in ln(k): 4.097558909788234 +""", +) + +entry( + index = 1007, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_N-Sp-5R!H-2R!H", + kinetics = ArrheniusBM(A=(1.15038e-05,'m^3/(mol*s)'), n=3.38056, w0=(278091,'J/mol'), E0=(58858.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04760623985479906, var=9.658851327737322, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_N-Sp-5R!H-2R!H',), comment="""BM rule fitted to 11 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_N-Sp-5R!H-2R!H + Total Standard Deviation in ln(k): 6.350068186384799"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_N-Sp-5R!H-2R!H +Total Standard Deviation in ln(k): 6.350068186384799""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_N-Sp-5R!H-2R!H +Total Standard Deviation in ln(k): 6.350068186384799 +""", +) + +entry( + index = 1008, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_2R!H->S_4R!H->C", + kinetics = ArrheniusBM(A=(0.000871,'m^3/(mol*s)'), n=2.7, w0=(323500,'J/mol'), E0=(32350,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_2R!H->S_4R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_2R!H->S_4R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_2R!H->S_4R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_2R!H->S_4R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1009, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_2R!H->S_N-4R!H->C", + kinetics = ArrheniusBM(A=(0.0232,'m^3/(mol*s)'), n=2.35, w0=(323500,'J/mol'), E0=(58535.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_2R!H->S_N-4R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_2R!H->S_N-4R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_2R!H->S_N-4R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_2R!H->S_N-4R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1010, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_4R!H-u0", + kinetics = ArrheniusBM(A=(2.82586e-18,'m^3/(mol*s)'), n=6.82263, w0=(308708,'J/mol'), E0=(9411.76,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6494773105443566, var=2.00896451176334, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_4R!H-u0',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_4R!H-u0 + Total Standard Deviation in ln(k): 4.473322845032152"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_4R!H-u0 +Total Standard Deviation in ln(k): 4.473322845032152""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_4R!H-u0 +Total Standard Deviation in ln(k): 4.473322845032152 +""", +) + +entry( + index = 1011, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_N-4R!H-u0", + kinetics = ArrheniusBM(A=(0.000335,'m^3/(mol*s)'), n=2.68, w0=(301000,'J/mol'), E0=(34261.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_N-4R!H-u0',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_N-4R!H-u0 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_N-4R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_N-4R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1012, + label = "Root_N-3R-inRing_3R->C_3C-u1_1R!H->S_Ext-2R!H-R_Ext-4R!H-R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.00168,'m^3/(mol*s)'), n=3.1, w0=(286500,'J/mol'), E0=(28650,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_3C-u1_1R!H->S_Ext-2R!H-R_Ext-4R!H-R_Ext-2R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_1R!H->S_Ext-2R!H-R_Ext-4R!H-R_Ext-2R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_1R!H->S_Ext-2R!H-R_Ext-4R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_1R!H->S_Ext-2R!H-R_Ext-4R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1013, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO", + kinetics = ArrheniusBM(A=(3.39038e-05,'m^3/(mol*s)'), n=3.32156, w0=(298579,'J/mol'), E0=(58850.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.039437443669911934, var=4.7182808176943185, Tref=1000.0, N=19, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO',), comment="""BM rule fitted to 19 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO + Total Standard Deviation in ln(k): 4.453695208682912"""), + rank = 11, + shortDesc = """BM rule fitted to 19 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO +Total Standard Deviation in ln(k): 4.453695208682912""", + longDesc = +""" +BM rule fitted to 19 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO +Total Standard Deviation in ln(k): 4.453695208682912 +""", +) + +entry( + index = 1014, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_N-Sp-4R!H-2CNO", + kinetics = ArrheniusBM(A=(1.33757e-19,'m^3/(mol*s)'), n=7.18671, w0=(301000,'J/mol'), E0=(-10357.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=2.807392977064808, var=14.908329370702182, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_N-Sp-4R!H-2CNO',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_N-Sp-4R!H-2CNO + Total Standard Deviation in ln(k): 14.794295114646237"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_N-Sp-4R!H-2CNO +Total Standard Deviation in ln(k): 14.794295114646237""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_N-Sp-4R!H-2CNO +Total Standard Deviation in ln(k): 14.794295114646237 +""", +) + +entry( + index = 1015, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Sp-2CNO=1CCNNO_2CNO->O", + kinetics = ArrheniusBM(A=(3.13732e-05,'m^3/(mol*s)'), n=3.24549, w0=(393500,'J/mol'), E0=(36013.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-4.352240335794364, var=43.03969908795607, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Sp-2CNO=1CCNNO_2CNO->O',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Sp-2CNO=1CCNNO_2CNO->O + Total Standard Deviation in ln(k): 24.08727124051201"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Sp-2CNO=1CCNNO_2CNO->O +Total Standard Deviation in ln(k): 24.08727124051201""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Sp-2CNO=1CCNNO_2CNO->O +Total Standard Deviation in ln(k): 24.08727124051201 +""", +) + +entry( + index = 1016, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Sp-2CNO=1CCNNO_N-2CNO->O", + kinetics = ArrheniusBM(A=(8.68758e-05,'m^3/(mol*s)'), n=3.18125, w0=(301000,'J/mol'), E0=(67068.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.44854756166388343, var=1.5478586952655955, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Sp-2CNO=1CCNNO_N-2CNO->O',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Sp-2CNO=1CCNNO_N-2CNO->O + Total Standard Deviation in ln(k): 3.621154361985193"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Sp-2CNO=1CCNNO_N-2CNO->O +Total Standard Deviation in ln(k): 3.621154361985193""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Sp-2CNO=1CCNNO_N-2CNO->O +Total Standard Deviation in ln(k): 3.621154361985193 +""", +) + +entry( + index = 1017, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_N-Sp-2CNO=1CCNNO_1CN->C", + kinetics = ArrheniusBM(A=(0.0669,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(71583.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_N-Sp-2CNO=1CCNNO_1CN->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_N-Sp-2CNO=1CCNNO_1CN->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_N-Sp-2CNO=1CCNNO_1CN->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_N-Sp-2CNO=1CCNNO_1CN->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1018, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_N-Sp-2CNO=1CCNNO_N-1CN->C", + kinetics = ArrheniusBM(A=(3.6e+22,'m^3/(mol*s)'), n=-5.84, w0=(414500,'J/mol'), E0=(55144.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_N-Sp-2CNO=1CCNNO_N-1CN->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_N-Sp-2CNO=1CCNNO_N-1CN->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_N-Sp-2CNO=1CCNNO_N-1CN->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_N-Sp-2CNO=1CCNNO_N-1CN->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1019, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_1R!H-inRing", + kinetics = ArrheniusBM(A=(7.05685e-06,'m^3/(mol*s)'), n=3.09388, w0=(259000,'J/mol'), E0=(25900,'J/mol'), Tmin=(303.03,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_1R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_1R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_1R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_1R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1020, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing", + kinetics = ArrheniusBM(A=(242.651,'m^3/(mol*s)'), n=1.08791, w0=(301000,'J/mol'), E0=(81943.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2301403315971159, var=1.1563294565154216, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing',), comment="""BM rule fitted to 11 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing + Total Standard Deviation in ln(k): 2.733989007168661"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing +Total Standard Deviation in ln(k): 2.733989007168661""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing +Total Standard Deviation in ln(k): 2.733989007168661 +""", +) + +entry( + index = 1021, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.0524003,'m^3/(mol*s)'), n=2.11384, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.028063153270793888, var=2.1536216409817355, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 7 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 3.01250382602921"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 3.01250382602921""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 3.01250382602921 +""", +) + +entry( + index = 1022, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Sp-6R!H=2R!H", + kinetics = ArrheniusBM(A=(0.00437,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Sp-6R!H=2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Sp-6R!H=2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Sp-6R!H=2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Sp-6R!H=2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1023, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_N-Sp-6R!H=2R!H", + kinetics = ArrheniusBM(A=(5548.57,'m^3/(mol*s)'), n=0.458321, w0=(287000,'J/mol'), E0=(48792,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4758588946869718, var=1.1669524729418637, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_N-Sp-6R!H=2R!H',), comment="""BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_N-Sp-6R!H=2R!H + Total Standard Deviation in ln(k): 3.3612519465494475"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_N-Sp-6R!H=2R!H +Total Standard Deviation in ln(k): 3.3612519465494475""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_N-Sp-6R!H=2R!H +Total Standard Deviation in ln(k): 3.3612519465494475 +""", +) + +entry( + index = 1024, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(134266,'m^3/(mol*s)'), n=0.411304, w0=(301000,'J/mol'), E0=(78108.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.19955494180241337, var=0.8422637991780162, Tref=1000.0, N=40, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R',), comment="""BM rule fitted to 40 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R + Total Standard Deviation in ln(k): 2.3412385636130346"""), + rank = 11, + shortDesc = """BM rule fitted to 40 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.3412385636130346""", + longDesc = +""" +BM rule fitted to 40 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.3412385636130346 +""", +) + +entry( + index = 1025, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(6.49973e-06,'m^3/(mol*s)'), n=3.31517, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.085770481803607, var=0.32091304144070365, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.3511698506870726"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.3511698506870726""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.3511698506870726 +""", +) + +entry( + index = 1026, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing", + kinetics = ArrheniusBM(A=(0.1393,'m^3/(mol*s)'), n=2.04177, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.03489229347769002, var=0.4372995436123926, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing',), comment="""BM rule fitted to 6 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing + Total Standard Deviation in ln(k): 1.413372880041431"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing +Total Standard Deviation in ln(k): 1.413372880041431""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing +Total Standard Deviation in ln(k): 1.413372880041431 +""", +) + +entry( + index = 1027, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing", + kinetics = ArrheniusBM(A=(1.49188,'m^3/(mol*s)'), n=1.93809, w0=(298043,'J/mol'), E0=(29804.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.044716552425968545, var=1.792450344947578, Tref=1000.0, N=35, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing',), comment="""BM rule fitted to 35 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing + Total Standard Deviation in ln(k): 2.796341062695327"""), + rank = 11, + shortDesc = """BM rule fitted to 35 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing +Total Standard Deviation in ln(k): 2.796341062695327""", + longDesc = +""" +BM rule fitted to 35 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing +Total Standard Deviation in ln(k): 2.796341062695327 +""", +) + +entry( + index = 1028, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(7.54138e-08,'m^3/(mol*s)'), n=3.99001, w0=(301000,'J/mol'), E0=(-24989.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.11326554801333298, var=2.568216295321567, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Sp-2R!H=1R!H',), comment="""BM rule fitted to 6 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 3.497306146736473"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 3.497306146736473""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 3.497306146736473 +""", +) + +entry( + index = 1029, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_N-Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(1.1408e-09,'m^3/(mol*s)'), n=4.62495, w0=(289500,'J/mol'), E0=(28950,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.17019495915886704, var=2.1166547503218465, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_N-Sp-2R!H=1R!H',), comment="""BM rule fitted to 5 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_N-Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 3.3442599823863697"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 3.3442599823863697""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 3.3442599823863697 +""", +) + +entry( + index = 1030, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_5R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.0176,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_5R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_5R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_5R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_5R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1031, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(1.0802e+06,'m^3/(mol*s)'), n=0.293071, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2005918478899516, var=1.803485864872869, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 3.196237065731531"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.196237065731531""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.196237065731531 +""", +) + +entry( + index = 1032, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(0.296107,'m^3/(mol*s)'), n=2.24756, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.03652361343960345, var=43.26676415185034, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H',), comment="""BM rule fitted to 4 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 13.278409317892523"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 13.278409317892523""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 13.278409317892523 +""", +) + +entry( + index = 1033, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(0.000399603,'m^3/(mol*s)'), n=2.78203, w0=(289500,'J/mol'), E0=(28950,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=3.877552602781672, var=37.52863063356539, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H',), comment="""BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 22.02372503986096"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 22.02372503986096""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 22.02372503986096 +""", +) + +entry( + index = 1034, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(0.0057216,'m^3/(mol*s)'), n=2.34769, w0=(299789,'J/mol'), E0=(70373.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.02848372568960627, var=2.37223270834359, Tref=1000.0, N=228, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R',), comment="""BM rule fitted to 228 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R + Total Standard Deviation in ln(k): 3.159270963973492"""), + rank = 11, + shortDesc = """BM rule fitted to 228 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 3.159270963973492""", + longDesc = +""" +BM rule fitted to 228 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 3.159270963973492 +""", +) + +entry( + index = 1035, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.00848856,'m^3/(mol*s)'), n=2.35878, w0=(298444,'J/mol'), E0=(72528.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.016144689514152082, var=1.4185445972178272, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 2.4282575476844666"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 2.4282575476844666""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 2.4282575476844666 +""", +) + +entry( + index = 1036, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing", + kinetics = ArrheniusBM(A=(0.0208728,'m^3/(mol*s)'), n=2.20685, w0=(301000,'J/mol'), E0=(76476.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0019282230424840145, var=0.08374903840927046, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing + Total Standard Deviation in ln(k): 0.5850036081164235"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing +Total Standard Deviation in ln(k): 0.5850036081164235""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing +Total Standard Deviation in ln(k): 0.5850036081164235 +""", +) + +entry( + index = 1037, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing", + kinetics = ArrheniusBM(A=(4.07834e-06,'m^3/(mol*s)'), n=2.85968, w0=(301000,'J/mol'), E0=(59503.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0939734580157574, var=1.167163185172181, Tref=1000.0, N=66, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing',), comment="""BM rule fitted to 66 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing + Total Standard Deviation in ln(k): 2.4019363098430424"""), + rank = 11, + shortDesc = """BM rule fitted to 66 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing +Total Standard Deviation in ln(k): 2.4019363098430424""", + longDesc = +""" +BM rule fitted to 66 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing +Total Standard Deviation in ln(k): 2.4019363098430424 +""", +) + +entry( + index = 1038, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing", + kinetics = ArrheniusBM(A=(1.27831e-13,'m^3/(mol*s)'), n=5.1746, w0=(299500,'J/mol'), E0=(33285.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.29861412068767323, var=1.5835702997974972, Tref=1000.0, N=276, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing',), comment="""BM rule fitted to 276 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing + Total Standard Deviation in ln(k): 3.273045149526901"""), + rank = 11, + shortDesc = """BM rule fitted to 276 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing +Total Standard Deviation in ln(k): 3.273045149526901""", + longDesc = +""" +BM rule fitted to 276 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing +Total Standard Deviation in ln(k): 3.273045149526901 +""", +) + +entry( + index = 1039, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.0297207,'m^3/(mol*s)'), n=2.01958, w0=(298444,'J/mol'), E0=(70129.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0020546315943778693, var=1.4066893641926708, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 2.3828570997141623"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.3828570997141623""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.3828570997141623 +""", +) + +entry( + index = 1040, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(0.0150838,'m^3/(mol*s)'), n=2.05718, w0=(301000,'J/mol'), E0=(58942.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.00735014748859096, var=0.5721446109114067, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 1.5348541579124422"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 1.5348541579124422""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 1.5348541579124422 +""", +) + +entry( + index = 1041, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(0.00422,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(64704.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-2R!H=1R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1042, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(7.61208e-05,'m^3/(mol*s)'), n=2.73602, w0=(298444,'J/mol'), E0=(53800.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06196258380948914, var=1.6518810920167608, Tref=1000.0, N=18, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 18 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 2.7322811938239635"""), + rank = 11, + shortDesc = """BM rule fitted to 18 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.7322811938239635""", + longDesc = +""" +BM rule fitted to 18 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.7322811938239635 +""", +) + +entry( + index = 1043, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(5.29549e-06,'m^3/(mol*s)'), n=3.02415, w0=(301000,'J/mol'), E0=(42966.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08746353087062912, var=1.1969220716954727, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 2.413016650911463"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 2.413016650911463""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 2.413016650911463 +""", +) + +entry( + index = 1044, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(0.000632765,'m^3/(mol*s)'), n=2.66293, w0=(289500,'J/mol'), E0=(57501.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.017115775058903826, var=3.9837427880711833, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-2R!H=1R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 4.04431846828145"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 4.04431846828145""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 4.04431846828145 +""", +) + +entry( + index = 1045, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing", + kinetics = ArrheniusBM(A=(7.45801e-27,'m^3/(mol*s)'), n=9.20986, w0=(298600,'J/mol'), E0=(3538.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5598674306351537, var=1.146538483820164, Tref=1000.0, N=70, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing',), comment="""BM rule fitted to 70 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing + Total Standard Deviation in ln(k): 3.5533029897519466"""), + rank = 11, + shortDesc = """BM rule fitted to 70 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing +Total Standard Deviation in ln(k): 3.5533029897519466""", + longDesc = +""" +BM rule fitted to 70 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing +Total Standard Deviation in ln(k): 3.5533029897519466 +""", +) + +entry( + index = 1046, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing", + kinetics = ArrheniusBM(A=(4.87854e-12,'m^3/(mol*s)'), n=4.9567, w0=(299592,'J/mol'), E0=(47547.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.19629439330731815, var=1.0235635270842434, Tref=1000.0, N=278, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing',), comment="""BM rule fitted to 278 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing + Total Standard Deviation in ln(k): 2.5214188622319567"""), + rank = 11, + shortDesc = """BM rule fitted to 278 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing +Total Standard Deviation in ln(k): 2.5214188622319567""", + longDesc = +""" +BM rule fitted to 278 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing +Total Standard Deviation in ln(k): 2.5214188622319567 +""", +) + +entry( + index = 1047, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00184721,'m^3/(mol*s)'), n=2.46053, w0=(301000,'J/mol'), E0=(76559.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.004471479548166242, var=0.22806857851641077, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_Sp-5R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.9686267037132473"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.9686267037132473""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.9686267037132473 +""", +) + +entry( + index = 1048, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.000186027,'m^3/(mol*s)'), n=2.681, w0=(301000,'J/mol'), E0=(67296,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.011031659060274793, var=0.158372170387667, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.825522129866182"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.825522129866182""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.825522129866182 +""", +) + +entry( + index = 1049, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(8.82632e-05,'m^3/(mol*s)'), n=2.98284, w0=(297714,'J/mol'), E0=(64032.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.022009917101719987, var=0.8140495905885575, Tref=1000.0, N=21, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R',), comment="""BM rule fitted to 21 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R + Total Standard Deviation in ln(k): 1.864067443720935"""), + rank = 11, + shortDesc = """BM rule fitted to 21 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.864067443720935""", + longDesc = +""" +BM rule fitted to 21 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.864067443720935 +""", +) + +entry( + index = 1050, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R", + kinetics = ArrheniusBM(A=(0.000174187,'m^3/(mol*s)'), n=2.87236, w0=(298125,'J/mol'), E0=(60737.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.012522935176587017, var=0.24868948558572335, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R + Total Standard Deviation in ln(k): 1.0312015136467814"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R +Total Standard Deviation in ln(k): 1.0312015136467814""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R +Total Standard Deviation in ln(k): 1.0312015136467814 +""", +) + +entry( + index = 1051, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_N-Sp-6R!H-3R", + kinetics = ArrheniusBM(A=(0.0019,'m^3/(mol*s)'), n=2.92, w0=(289500,'J/mol'), E0=(81420,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_N-Sp-6R!H-3R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_N-Sp-6R!H-3R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_N-Sp-6R!H-3R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_N-Sp-6R!H-3R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1052, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(8.45294e-05,'m^3/(mol*s)'), n=3.16783, w0=(289500,'J/mol'), E0=(66056.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.003974592922626874, var=3.9040066112059986, Tref=1000.0, N=40, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R',), comment="""BM rule fitted to 40 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R + Total Standard Deviation in ln(k): 3.971054082343381"""), + rank = 11, + shortDesc = """BM rule fitted to 40 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.971054082343381""", + longDesc = +""" +BM rule fitted to 40 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.971054082343381 +""", +) + +entry( + index = 1053, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(4.88237e-05,'m^3/(mol*s)'), n=3.22453, w0=(289500,'J/mol'), E0=(69674.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2099652399383868, var=0.4894930096384201, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R + Total Standard Deviation in ln(k): 1.9301392337183334"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R +Total Standard Deviation in ln(k): 1.9301392337183334""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R +Total Standard Deviation in ln(k): 1.9301392337183334 +""", +) + +entry( + index = 1054, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00313939,'m^3/(mol*s)'), n=2.64248, w0=(289500,'J/mol'), E0=(69847.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.7738005194847344, var=1.3605093193172875, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 4.282562901130785"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 4.282562901130785""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 4.282562901130785 +""", +) + +entry( + index = 1055, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0171222,'m^3/(mol*s)'), n=2.53151, w0=(289500,'J/mol'), E0=(69454.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.006854581213682029, var=0.7214084705645532, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 1.7199597025616122"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.7199597025616122""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.7199597025616122 +""", +) + +entry( + index = 1056, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_N-Sp-4R!H-3R_5R!H-inRing", + kinetics = ArrheniusBM(A=(540.5,'m^3/(mol*s)'), n=1.21, w0=(289500,'J/mol'), E0=(28950,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_N-Sp-4R!H-3R_5R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_N-Sp-4R!H-3R_5R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_N-Sp-4R!H-3R_5R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_N-Sp-4R!H-3R_5R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1057, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_N-Sp-4R!H-3R_N-5R!H-inRing", + kinetics = ArrheniusBM(A=(1.76443e-19,'m^3/(mol*s)'), n=7.2587, w0=(289500,'J/mol'), E0=(2844.97,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.0197898146284223, var=20.04548682281598, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_N-Sp-4R!H-3R_N-5R!H-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_N-Sp-4R!H-3R_N-5R!H-inRing + Total Standard Deviation in ln(k): 11.53792323939473"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_N-Sp-4R!H-3R_N-5R!H-inRing +Total Standard Deviation in ln(k): 11.53792323939473""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_N-Sp-4R!H-3R_N-5R!H-inRing +Total Standard Deviation in ln(k): 11.53792323939473 +""", +) + +entry( + index = 1058, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(3.13476e-20,'m^3/(mol*s)'), n=7.3553, w0=(300231,'J/mol'), E0=(23261.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3964182510232421, var=2.041931266517131, Tref=1000.0, N=321, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R',), comment="""BM rule fitted to 321 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R + Total Standard Deviation in ln(k): 3.860715208696793"""), + rank = 11, + shortDesc = """BM rule fitted to 321 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R +Total Standard Deviation in ln(k): 3.860715208696793""", + longDesc = +""" +BM rule fitted to 321 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R +Total Standard Deviation in ln(k): 3.860715208696793 +""", +) + +entry( + index = 1059, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H", + kinetics = ArrheniusBM(A=(0.0272336,'m^3/(mol*s)'), n=2.04286, w0=(306139,'J/mol'), E0=(73446.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.05419696675887144, var=1.2593435366276036, Tref=1000.0, N=18, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H',), comment="""BM rule fitted to 18 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H + Total Standard Deviation in ln(k): 2.385896541549258"""), + rank = 11, + shortDesc = """BM rule fitted to 18 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H +Total Standard Deviation in ln(k): 2.385896541549258""", + longDesc = +""" +BM rule fitted to 18 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H +Total Standard Deviation in ln(k): 2.385896541549258 +""", +) + +entry( + index = 1060, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H", + kinetics = ArrheniusBM(A=(0.000445861,'m^3/(mol*s)'), n=2.84713, w0=(303402,'J/mol'), E0=(65775.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07030273133640426, var=0.5384059424733132, Tref=1000.0, N=41, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H',), comment="""BM rule fitted to 41 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H + Total Standard Deviation in ln(k): 1.6476374508803975"""), + rank = 11, + shortDesc = """BM rule fitted to 41 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H +Total Standard Deviation in ln(k): 1.6476374508803975""", + longDesc = +""" +BM rule fitted to 41 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H +Total Standard Deviation in ln(k): 1.6476374508803975 +""", +) + +entry( + index = 1061, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_N-Sp-4R!H-3R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.0224262,'m^3/(mol*s)'), n=2.58924, w0=(259000,'J/mol'), E0=(21538.2,'J/mol'), Tmin=(303.03,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_N-Sp-4R!H-3R_Ext-5R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_N-Sp-4R!H-3R_Ext-5R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_N-Sp-4R!H-3R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_N-Sp-4R!H-3R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1062, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_N-Sp-4R!H-3R_1R!H-inRing", + kinetics = ArrheniusBM(A=(5.205e-05,'m^3/(mol*s)'), n=2.973, w0=(259000,'J/mol'), E0=(68955.4,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_N-Sp-4R!H-3R_1R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_N-Sp-4R!H-3R_1R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_N-Sp-4R!H-3R_1R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_N-Sp-4R!H-3R_1R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1063, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_N-Sp-4R!H-3R_N-1R!H-inRing", + kinetics = ArrheniusBM(A=(1.75575e-28,'m^3/(mol*s)'), n=9.28569, w0=(301000,'J/mol'), E0=(19795.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=4.743821812833351, var=1.1291612397541195, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_N-Sp-4R!H-3R_N-1R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_N-Sp-4R!H-3R_N-1R!H-inRing + Total Standard Deviation in ln(k): 14.049421848193022"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_N-Sp-4R!H-3R_N-1R!H-inRing +Total Standard Deviation in ln(k): 14.049421848193022""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_N-Sp-4R!H-3R_N-1R!H-inRing +Total Standard Deviation in ln(k): 14.049421848193022 +""", +) + +entry( + index = 1064, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing", + kinetics = ArrheniusBM(A=(2.76676e-18,'m^3/(mol*s)'), n=6.67892, w0=(298042,'J/mol'), E0=(12122.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3178638387280672, var=1.131333464313223, Tref=1000.0, N=71, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing',), comment="""BM rule fitted to 71 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing + Total Standard Deviation in ln(k): 2.9309724968467847"""), + rank = 11, + shortDesc = """BM rule fitted to 71 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing +Total Standard Deviation in ln(k): 2.9309724968467847""", + longDesc = +""" +BM rule fitted to 71 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing +Total Standard Deviation in ln(k): 2.9309724968467847 +""", +) + +entry( + index = 1065, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(7.64519e-05,'m^3/(mol*s)'), n=2.76708, w0=(301045,'J/mol'), E0=(51563.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04096520899422161, var=1.0986116397860972, Tref=1000.0, N=133, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R',), comment="""BM rule fitted to 133 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R + Total Standard Deviation in ln(k): 2.2041842457004637"""), + rank = 11, + shortDesc = """BM rule fitted to 133 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 2.2041842457004637""", + longDesc = +""" +BM rule fitted to 133 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 2.2041842457004637 +""", +) + +entry( + index = 1066, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(1.35336,'m^3/(mol*s)'), n=1.5874, w0=(301000,'J/mol'), E0=(63624.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08996575519921686, var=1.0763732761413416, Tref=1000.0, N=63, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R',), comment="""BM rule fitted to 63 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 2.3059253963281123"""), + rank = 11, + shortDesc = """BM rule fitted to 63 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 2.3059253963281123""", + longDesc = +""" +BM rule fitted to 63 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 2.3059253963281123 +""", +) + +entry( + index = 1067, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(2.32254e-11,'m^3/(mol*s)'), n=4.60524, w0=(301000,'J/mol'), E0=(15152,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.21137126232597223, var=0.1877073192563143, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.399639110387628"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.399639110387628""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.399639110387628 +""", +) + +entry( + index = 1068, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(5.5382e-11,'m^3/(mol*s)'), n=4.43932, w0=(301000,'J/mol'), E0=(14043.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.02261260998965728, var=1.140475875058501, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-3R-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-3R-R + Total Standard Deviation in ln(k): 2.1977336390039652"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 2.1977336390039652""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 2.1977336390039652 +""", +) + +entry( + index = 1069, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(4.78129e-10,'m^3/(mol*s)'), n=4.23657, w0=(301000,'J/mol'), E0=(12865.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1728038146718153, var=0.22797865742020318, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R + Total Standard Deviation in ln(k): 1.391383514260255"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R +Total Standard Deviation in ln(k): 1.391383514260255""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R +Total Standard Deviation in ln(k): 1.391383514260255 +""", +) + +entry( + index = 1070, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Ext-6R!H-R_5R!H-inRing", + kinetics = ArrheniusBM(A=(8.58125e-08,'m^3/(mol*s)'), n=3.56154, w0=(301000,'J/mol'), E0=(28047.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1059811071408226, var=0.4904506457960959, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Ext-6R!H-R_5R!H-inRing',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Ext-6R!H-R_5R!H-inRing + Total Standard Deviation in ln(k): 1.6702438985530759"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Ext-6R!H-R_5R!H-inRing +Total Standard Deviation in ln(k): 1.6702438985530759""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Ext-6R!H-R_5R!H-inRing +Total Standard Deviation in ln(k): 1.6702438985530759 +""", +) + +entry( + index = 1071, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Ext-6R!H-R_N-5R!H-inRing", + kinetics = ArrheniusBM(A=(6.816e-06,'m^3/(mol*s)'), n=2.961, w0=(301000,'J/mol'), E0=(65094.2,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Ext-6R!H-R_N-5R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Ext-6R!H-R_N-5R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Ext-6R!H-R_N-5R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Ext-6R!H-R_N-5R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1072, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-2CO-R", + kinetics = ArrheniusBM(A=(11.3327,'m^3/(mol*s)'), n=1.44546, w0=(301000,'J/mol'), E0=(58042.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08761725278765926, var=0.4781854947079925, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-2CO-R',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-2CO-R + Total Standard Deviation in ln(k): 1.6064373560479754"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-2CO-R +Total Standard Deviation in ln(k): 1.6064373560479754""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-2CO-R +Total Standard Deviation in ln(k): 1.6064373560479754 +""", +) + +entry( + index = 1073, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.00209344,'m^3/(mol*s)'), n=2.39662, w0=(301000,'J/mol'), E0=(11839.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0012681115624985024, var=0.1759149033539614, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-3R-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-3R-R + Total Standard Deviation in ln(k): 0.844016418931146"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-3R-R +Total Standard Deviation in ln(k): 0.844016418931146""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-3R-R +Total Standard Deviation in ln(k): 0.844016418931146 +""", +) + +entry( + index = 1074, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00239,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Sp-6R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1075, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_N-Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(0.0031,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_N-Sp-6R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_N-Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1076, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_N-Sp-2CO=1C_Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(4.08581e-07,'m^3/(mol*s)'), n=3.44996, w0=(289500,'J/mol'), E0=(28557.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09738036366703748, var=0.38821467922261754, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_N-Sp-2CO=1C_Sp-6R!H=5R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_N-Sp-2CO=1C_Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 1.4937620786223251"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_N-Sp-2CO=1C_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 1.4937620786223251""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_N-Sp-2CO=1C_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 1.4937620786223251 +""", +) + +entry( + index = 1077, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_N-Sp-2CO=1C_N-Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(5.26158e-05,'m^3/(mol*s)'), n=3.16593, w0=(289500,'J/mol'), E0=(26855.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0714343594333419, var=0.3904045792616249, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_N-Sp-2CO=1C_N-Sp-6R!H=5R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_N-Sp-2CO=1C_N-Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 1.4320891804984675"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_N-Sp-2CO=1C_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 1.4320891804984675""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_N-Sp-2CO=1C_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 1.4320891804984675 +""", +) + +entry( + index = 1078, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing", + kinetics = ArrheniusBM(A=(0.195648,'m^3/(mol*s)'), n=2.02446, w0=(301000,'J/mol'), E0=(57115.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5349335764898576, var=9.324615303055188, Tref=1000.0, N=46, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing',), comment="""BM rule fitted to 46 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing + Total Standard Deviation in ln(k): 7.465759969634277"""), + rank = 11, + shortDesc = """BM rule fitted to 46 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing +Total Standard Deviation in ln(k): 7.465759969634277""", + longDesc = +""" +BM rule fitted to 46 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing +Total Standard Deviation in ln(k): 7.465759969634277 +""", +) + +entry( + index = 1079, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing", + kinetics = ArrheniusBM(A=(63.8897,'m^3/(mol*s)'), n=1.29409, w0=(301000,'J/mol'), E0=(72927.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11819811935720147, var=0.8388607101910329, Tref=1000.0, N=160, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing',), comment="""BM rule fitted to 160 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing + Total Standard Deviation in ln(k): 2.1331038146096457"""), + rank = 11, + shortDesc = """BM rule fitted to 160 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing +Total Standard Deviation in ln(k): 2.1331038146096457""", + longDesc = +""" +BM rule fitted to 160 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing +Total Standard Deviation in ln(k): 2.1331038146096457 +""", +) + +entry( + index = 1080, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.0176569,'m^3/(mol*s)'), n=2.40465, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.20478553884908932, var=1.080518349470213, Tref=1000.0, N=15, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R',), comment="""BM rule fitted to 15 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 2.5984182385495527"""), + rank = 11, + shortDesc = """BM rule fitted to 15 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 2.5984182385495527""", + longDesc = +""" +BM rule fitted to 15 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 2.5984182385495527 +""", +) + +entry( + index = 1081, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-2C-R", + kinetics = ArrheniusBM(A=(0.000268837,'m^3/(mol*s)'), n=2.89422, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.5007028708497665, var=0.6807026138044221, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-2C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-2C-R + Total Standard Deviation in ln(k): 2.9120481504278066"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-2C-R +Total Standard Deviation in ln(k): 2.9120481504278066""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-2C-R +Total Standard Deviation in ln(k): 2.9120481504278066 +""", +) + +entry( + index = 1082, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(9.8433e-06,'m^3/(mol*s)'), n=3.24217, w0=(301000,'J/mol'), E0=(27513.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.8605044313096494, var=0.04456833024979204, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-3R-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-3R-R + Total Standard Deviation in ln(k): 2.585295322107209"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-3R-R +Total Standard Deviation in ln(k): 2.585295322107209""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-3R-R +Total Standard Deviation in ln(k): 2.585295322107209 +""", +) + +entry( + index = 1083, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Sp-5R!H-2C", + kinetics = ArrheniusBM(A=(0.0144,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Sp-5R!H-2C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Sp-5R!H-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Sp-5R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Sp-5R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1084, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_N-Sp-5R!H-2C", + kinetics = ArrheniusBM(A=(0.0154,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_N-Sp-5R!H-2C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_N-Sp-5R!H-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_N-Sp-5R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_N-Sp-5R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1085, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(5.61133e-05,'m^3/(mol*s)'), n=3.08219, w0=(289500,'J/mol'), E0=(28950,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06369380510984617, var=0.6198097017252664, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 1.7383223948498971"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 1.7383223948498971""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 1.7383223948498971 +""", +) + +entry( + index = 1086, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00675284,'m^3/(mol*s)'), n=2.80784, w0=(289500,'J/mol'), E0=(28950,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03769751097909373, var=0.6168831973016901, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 1.6692746287242126"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 1.6692746287242126""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 1.6692746287242126 +""", +) + +entry( + index = 1087, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(2.85742e-10,'m^3/(mol*s)'), n=4.83231, w0=(289500,'J/mol'), E0=(28950,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.22952843129270412, var=0.982205395136274, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 2.563522880996459"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 2.563522880996459""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 2.563522880996459 +""", +) + +entry( + index = 1088, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.133,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(28950,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1089, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-1R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(1.91444e-10,'m^3/(mol*s)'), n=4.69726, w0=(289500,'J/mol'), E0=(28950,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=2.365129138687339, var=0.6732650395137146, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-1R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-1R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 7.587475371744029"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-1R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 7.587475371744029""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-1R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 7.587475371744029 +""", +) + +entry( + index = 1090, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-1R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(1.74666e-09,'m^3/(mol*s)'), n=4.54883, w0=(289500,'J/mol'), E0=(28950,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=2.2116497595998883, var=0.6775473777793724, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-1R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-1R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 7.2070718627862"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-1R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 7.2070718627862""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-1R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 7.2070718627862 +""", +) + +entry( + index = 1091, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.073847,'m^3/(mol*s)'), n=2.09487, w0=(301000,'J/mol'), E0=(81995.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.040431125765656536, var=1.1308434255370854, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 2.233443520117616"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 2.233443520117616""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 2.233443520117616 +""", +) + +entry( + index = 1092, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_1R!H-inRing", + kinetics = ArrheniusBM(A=(0.00014444,'m^3/(mol*s)'), n=2.6469, w0=(259000,'J/mol'), E0=(61712.2,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_1R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_1R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_1R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_1R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1093, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_N-1R!H-inRing", + kinetics = ArrheniusBM(A=(2.90225e-05,'m^3/(mol*s)'), n=3.06594, w0=(301000,'J/mol'), E0=(69769.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.02874478075556138, var=0.7262891344066165, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_N-1R!H-inRing',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_N-1R!H-inRing + Total Standard Deviation in ln(k): 1.7807103989814943"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_N-1R!H-inRing +Total Standard Deviation in ln(k): 1.7807103989814943""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_N-1R!H-inRing +Total Standard Deviation in ln(k): 1.7807103989814943 +""", +) + +entry( + index = 1094, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.190152,'m^3/(mol*s)'), n=2.04603, w0=(301000,'J/mol'), E0=(71840.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.04318502512640432, var=0.7142514595901982, Tref=1000.0, N=29, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R',), comment="""BM rule fitted to 29 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R + Total Standard Deviation in ln(k): 1.8027748413730311"""), + rank = 11, + shortDesc = """BM rule fitted to 29 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R +Total Standard Deviation in ln(k): 1.8027748413730311""", + longDesc = +""" +BM rule fitted to 29 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R +Total Standard Deviation in ln(k): 1.8027748413730311 +""", +) + +entry( + index = 1095, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000313706,'m^3/(mol*s)'), n=2.86705, w0=(301000,'J/mol'), E0=(61058.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.022402399288870393, var=0.25006428580948664, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H + Total Standard Deviation in ln(k): 1.0587838418296613"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 1.0587838418296613""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 1.0587838418296613 +""", +) + +entry( + index = 1096, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_N-Sp-6R!H-2R!H", + kinetics = ArrheniusBM(A=(5.64006e-05,'m^3/(mol*s)'), n=3.04973, w0=(301000,'J/mol'), E0=(68646.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.249690630666284, var=1.4951374540119236, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_N-Sp-6R!H-2R!H',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_N-Sp-6R!H-2R!H + Total Standard Deviation in ln(k): 3.0786695158267214"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_N-Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 3.0786695158267214""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_N-Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 3.0786695158267214 +""", +) + +entry( + index = 1097, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-2R!H->O_N-1R!H-inRing_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(7.45757e-06,'m^3/(mol*s)'), n=3.10666, w0=(301000,'J/mol'), E0=(71773.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.20531395523030108, var=1.8339754585342447, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-2R!H->O_N-1R!H-inRing_Ext-4R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-2R!H->O_N-1R!H-inRing_Ext-4R!H-R + Total Standard Deviation in ln(k): 3.230763657823647"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-2R!H->O_N-1R!H-inRing_Ext-4R!H-R +Total Standard Deviation in ln(k): 3.230763657823647""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-2R!H->O_N-1R!H-inRing_Ext-4R!H-R +Total Standard Deviation in ln(k): 3.230763657823647 +""", +) + +entry( + index = 1098, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-2R!H->O_N-1R!H-inRing_2CS->C", + kinetics = ArrheniusBM(A=(6.93633e-05,'m^3/(mol*s)'), n=2.97117, w0=(301000,'J/mol'), E0=(70084.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07052426274306799, var=0.3592942462888249, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-2R!H->O_N-1R!H-inRing_2CS->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-2R!H->O_N-1R!H-inRing_2CS->C + Total Standard Deviation in ln(k): 1.3788580670540407"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-2R!H->O_N-1R!H-inRing_2CS->C +Total Standard Deviation in ln(k): 1.3788580670540407""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-2R!H->O_N-1R!H-inRing_2CS->C +Total Standard Deviation in ln(k): 1.3788580670540407 +""", +) + +entry( + index = 1099, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-2R!H->O_N-1R!H-inRing_N-2CS->C", + kinetics = ArrheniusBM(A=(0.000195,'m^3/(mol*s)'), n=2.6, w0=(323500,'J/mol'), E0=(68271.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-2R!H->O_N-1R!H-inRing_N-2CS->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-2R!H->O_N-1R!H-inRing_N-2CS->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-2R!H->O_N-1R!H-inRing_N-2CS->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-2R!H->O_N-1R!H-inRing_N-2CS->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1100, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(4.14448e-12,'m^3/(mol*s)'), n=5.21798, w0=(289500,'J/mol'), E0=(28950,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2660728017653832, var=1.0979554178166733, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 2.7691535581321496"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 2.7691535581321496""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 2.7691535581321496 +""", +) + +entry( + index = 1101, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(4.97673e-10,'m^3/(mol*s)'), n=4.94383, w0=(289500,'J/mol'), E0=(16911.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06736116563179416, var=1.8055940722865145, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 2.8630597105660383"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 2.8630597105660383""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 2.8630597105660383 +""", +) + +entry( + index = 1102, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_Ext-2R!H-R_Ext-4R!H-R_Sp-6R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0981,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(82008,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_Ext-2R!H-R_Ext-4R!H-R_Sp-6R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_Ext-2R!H-R_Ext-4R!H-R_Sp-6R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_Ext-2R!H-R_Ext-4R!H-R_Sp-6R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_Ext-2R!H-R_Ext-4R!H-R_Sp-6R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1103, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_Ext-2R!H-R_Ext-4R!H-R_N-Sp-6R!H=4R!H", + kinetics = ArrheniusBM(A=(0.272,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(75748.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_Ext-2R!H-R_Ext-4R!H-R_N-Sp-6R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_Ext-2R!H-R_Ext-4R!H-R_N-Sp-6R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_Ext-2R!H-R_Ext-4R!H-R_N-Sp-6R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_Ext-2R!H-R_Ext-4R!H-R_N-Sp-6R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1104, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_N-4R!H-inRing_Ext-4R!H-R_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0369,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(79758.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_N-4R!H-inRing_Ext-4R!H-R_Sp-5R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_N-4R!H-inRing_Ext-4R!H-R_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_N-4R!H-inRing_Ext-4R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_N-4R!H-inRing_Ext-4R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1105, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_N-4R!H-inRing_Ext-4R!H-R_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.102,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(80002.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_N-4R!H-inRing_Ext-4R!H-R_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_N-4R!H-inRing_Ext-4R!H-R_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_N-4R!H-inRing_Ext-4R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_N-4R!H-inRing_Ext-4R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1106, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_Int-5R!H-4R!H", + kinetics = ArrheniusBM(A=(0.0650086,'m^3/(mol*s)'), n=2.39408, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(303.03,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_Int-5R!H-4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_Int-5R!H-4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_Int-5R!H-4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_Int-5R!H-4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1107, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(142935,'m^3/(mol*s)'), n=0.454715, w0=(296579,'J/mol'), E0=(89253.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.22282257658057594, var=2.9722123627686408, Tref=1000.0, N=19, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing',), comment="""BM rule fitted to 19 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing + Total Standard Deviation in ln(k): 4.0160401354440465"""), + rank = 11, + shortDesc = """BM rule fitted to 19 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing +Total Standard Deviation in ln(k): 4.0160401354440465""", + longDesc = +""" +BM rule fitted to 19 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing +Total Standard Deviation in ln(k): 4.0160401354440465 +""", +) + +entry( + index = 1108, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.015114,'m^3/(mol*s)'), n=2.39329, w0=(301000,'J/mol'), E0=(66201.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.10023730210472459, var=0.7232295655282492, Tref=1000.0, N=30, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing',), comment="""BM rule fitted to 30 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 1.956737461030127"""), + rank = 11, + shortDesc = """BM rule fitted to 30 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 1.956737461030127""", + longDesc = +""" +BM rule fitted to 30 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 1.956737461030127 +""", +) + +entry( + index = 1109, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_N-Sp-5R!H-2R!H_1R!H-inRing", + kinetics = ArrheniusBM(A=(0.000198828,'m^3/(mol*s)'), n=3.03145, w0=(259000,'J/mol'), E0=(61928.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0031136137843559655, var=10.040648328161595, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_N-Sp-5R!H-2R!H_1R!H-inRing',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_N-Sp-5R!H-2R!H_1R!H-inRing + Total Standard Deviation in ln(k): 6.360223595813961"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_N-Sp-5R!H-2R!H_1R!H-inRing +Total Standard Deviation in ln(k): 6.360223595813961""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_N-Sp-5R!H-2R!H_1R!H-inRing +Total Standard Deviation in ln(k): 6.360223595813961 +""", +) + +entry( + index = 1110, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_N-Sp-5R!H-2R!H_N-1R!H-inRing", + kinetics = ArrheniusBM(A=(0.00182825,'m^3/(mol*s)'), n=2.58318, w0=(301000,'J/mol'), E0=(72057.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2604298950750253, var=3.136763709888175, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_N-Sp-5R!H-2R!H_N-1R!H-inRing',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_N-Sp-5R!H-2R!H_N-1R!H-inRing + Total Standard Deviation in ln(k): 4.204914937837464"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_N-Sp-5R!H-2R!H_N-1R!H-inRing +Total Standard Deviation in ln(k): 4.204914937837464""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_N-Sp-5R!H-2R!H_N-1R!H-inRing +Total Standard Deviation in ln(k): 4.204914937837464 +""", +) + +entry( + index = 1111, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_4R!H-u0_4R!H->C", + kinetics = ArrheniusBM(A=(8.96849e-08,'m^3/(mol*s)'), n=3.81719, w0=(301000,'J/mol'), E0=(60291.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.11261521267024681, var=5.358150333886583, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_4R!H-u0_4R!H->C',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_4R!H-u0_4R!H->C + Total Standard Deviation in ln(k): 4.923449158812786"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_4R!H-u0_4R!H->C +Total Standard Deviation in ln(k): 4.923449158812786""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_4R!H-u0_4R!H->C +Total Standard Deviation in ln(k): 4.923449158812786 +""", +) + +entry( + index = 1112, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_4R!H-u0_N-4R!H->C", + kinetics = ArrheniusBM(A=(6.34535e-19,'m^3/(mol*s)'), n=7.04424, w0=(347250,'J/mol'), E0=(10739.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=3.756422708684298, var=0.5527656083290369, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_4R!H-u0_N-4R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_4R!H-u0_N-4R!H->C + Total Standard Deviation in ln(k): 10.928732623765171"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_4R!H-u0_N-4R!H->C +Total Standard Deviation in ln(k): 10.928732623765171""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_4R!H-u0_N-4R!H->C +Total Standard Deviation in ln(k): 10.928732623765171 +""", +) + +entry( + index = 1113, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO", + kinetics = ArrheniusBM(A=(3.81007e-05,'m^3/(mol*s)'), n=3.16324, w0=(301000,'J/mol'), E0=(55525,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09345352545054748, var=1.6862171893419369, Tref=1000.0, N=15, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO',), comment="""BM rule fitted to 15 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO + Total Standard Deviation in ln(k): 2.8380450759559475"""), + rank = 11, + shortDesc = """BM rule fitted to 15 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO +Total Standard Deviation in ln(k): 2.8380450759559475""", + longDesc = +""" +BM rule fitted to 15 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO +Total Standard Deviation in ln(k): 2.8380450759559475 +""", +) + +entry( + index = 1114, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-Sp-2CNO=1CCNNO", + kinetics = ArrheniusBM(A=(0.00033756,'m^3/(mol*s)'), n=3.54257, w0=(289500,'J/mol'), E0=(73570,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.6944774234296978, var=8.45897313247516, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-Sp-2CNO=1CCNNO',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-Sp-2CNO=1CCNNO + Total Standard Deviation in ln(k): 10.088115384962325"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-Sp-2CNO=1CCNNO +Total Standard Deviation in ln(k): 10.088115384962325""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-Sp-2CNO=1CCNNO +Total Standard Deviation in ln(k): 10.088115384962325 +""", +) + +entry( + index = 1115, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_N-Sp-4R!H-2CNO_4R!H->C", + kinetics = ArrheniusBM(A=(1.81203,'m^3/(mol*s)'), n=1.61914, w0=(301000,'J/mol'), E0=(65620.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.2055290335452585e-15, var=10.69650263122118, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_N-Sp-4R!H-2CNO_4R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_N-Sp-4R!H-2CNO_4R!H->C + Total Standard Deviation in ln(k): 6.5565879405329275"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_N-Sp-4R!H-2CNO_4R!H->C +Total Standard Deviation in ln(k): 6.5565879405329275""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_N-Sp-4R!H-2CNO_4R!H->C +Total Standard Deviation in ln(k): 6.5565879405329275 +""", +) + +entry( + index = 1116, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_N-Sp-4R!H-2CNO_N-4R!H->C", + kinetics = ArrheniusBM(A=(0.284303,'m^3/(mol*s)'), n=1.93802, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(303.03,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_N-Sp-4R!H-2CNO_N-4R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_N-Sp-4R!H-2CNO_N-4R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_N-Sp-4R!H-2CNO_N-4R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_N-Sp-4R!H-2CNO_N-4R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1117, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(186.465,'m^3/(mol*s)'), n=1.12287, w0=(301000,'J/mol'), E0=(81094.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.24128212619338282, var=1.308422840582412, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 10 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 2.8993790212545854"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.8993790212545854""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.8993790212545854 +""", +) + +entry( + index = 1118, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_6R!H-inRing", + kinetics = ArrheniusBM(A=(6.67958e-05,'m^3/(mol*s)'), n=2.84312, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.44786487945356, var=1.2546972557780343, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_6R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_6R!H-inRing + Total Standard Deviation in ln(k): 3.370857948071669"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_6R!H-inRing +Total Standard Deviation in ln(k): 3.370857948071669""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_6R!H-inRing +Total Standard Deviation in ln(k): 3.370857948071669 +""", +) + +entry( + index = 1119, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_N-6R!H-inRing", + kinetics = ArrheniusBM(A=(0.753647,'m^3/(mol*s)'), n=1.82213, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.05570467512066485, var=0.8864738531960124, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_N-6R!H-inRing',), comment="""BM rule fitted to 5 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_N-6R!H-inRing + Total Standard Deviation in ln(k): 2.027474509163799"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_N-6R!H-inRing +Total Standard Deviation in ln(k): 2.027474509163799""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_N-6R!H-inRing +Total Standard Deviation in ln(k): 2.027474509163799 +""", +) + +entry( + index = 1120, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_N-Sp-6R!H=2R!H_1R!H-inRing", + kinetics = ArrheniusBM(A=(159167,'m^3/(mol*s)'), n=0, w0=(259000,'J/mol'), E0=(25900,'J/mol'), Tmin=(298,'K'), Tmax=(1330,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_N-Sp-6R!H=2R!H_1R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_N-Sp-6R!H=2R!H_1R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_N-Sp-6R!H=2R!H_1R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_N-Sp-6R!H=2R!H_1R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1121, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_N-Sp-6R!H=2R!H_N-1R!H-inRing", + kinetics = ArrheniusBM(A=(3.69111e-06,'m^3/(mol*s)'), n=3.29571, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.9158585175342466, var=0.2120672331586811, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_N-Sp-6R!H=2R!H_N-1R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_N-Sp-6R!H=2R!H_N-1R!H-inRing + Total Standard Deviation in ln(k): 3.2243477573198813"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_N-Sp-6R!H=2R!H_N-1R!H-inRing +Total Standard Deviation in ln(k): 3.2243477573198813""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_N-Sp-6R!H=2R!H_N-1R!H-inRing +Total Standard Deviation in ln(k): 3.2243477573198813 +""", +) + +entry( + index = 1122, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.717143,'m^3/(mol*s)'), n=1.8825, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.04998336959570111, var=1.6006790765164907, Tref=1000.0, N=28, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 28 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 2.6619360067559255"""), + rank = 11, + shortDesc = """BM rule fitted to 28 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 2.6619360067559255""", + longDesc = +""" +BM rule fitted to 28 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 2.6619360067559255 +""", +) + +entry( + index = 1123, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.000120336,'m^3/(mol*s)'), n=2.97087, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.053145419948951396, var=0.2130239333105382, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R + Total Standard Deviation in ln(k): 1.0588069748956037"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.0588069748956037""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.0588069748956037 +""", +) + +entry( + index = 1124, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H", + kinetics = ArrheniusBM(A=(2.13997e-05,'m^3/(mol*s)'), n=3.15701, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07078370456427252, var=0.21214143144832384, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H',), comment="""BM rule fitted to 4 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H + Total Standard Deviation in ln(k): 1.1012056973246582"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 1.1012056973246582""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 1.1012056973246582 +""", +) + +entry( + index = 1125, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000522975,'m^3/(mol*s)'), n=2.8237, w0=(301000,'J/mol'), E0=(57294.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10076551110806536, var=0.3221832133003567, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H',), comment="""BM rule fitted to 4 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H + Total Standard Deviation in ln(k): 1.3910910640269554"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 1.3910910640269554""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 1.3910910640269554 +""", +) + +entry( + index = 1126, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.0152,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1127, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R_Sp-7R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00717,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R_Sp-7R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R_Sp-7R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R_Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R_Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1128, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R_N-Sp-7R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00757,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R_N-Sp-7R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R_N-Sp-7R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R_N-Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R_N-Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1129, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.27761,'m^3/(mol*s)'), n=2.00284, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.038581342896631954, var=0.268837790086642, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 1.1363845631388532"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.1363845631388532""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.1363845631388532 +""", +) + +entry( + index = 1130, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.119001,'m^3/(mol*s)'), n=2.02798, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3950268880573535, var=0.11630114300695707, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing_Ext-5R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.6762037385713517"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.6762037385713517""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.6762037385713517 +""", +) + +entry( + index = 1131, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(229.166,'m^3/(mol*s)'), n=1.3148, w0=(297714,'J/mol'), E0=(29771.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.10377649958478959, var=1.2742723430775218, Tref=1000.0, N=21, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R',), comment="""BM rule fitted to 21 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R + Total Standard Deviation in ln(k): 2.523763545425138"""), + rank = 11, + shortDesc = """BM rule fitted to 21 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R +Total Standard Deviation in ln(k): 2.523763545425138""", + longDesc = +""" +BM rule fitted to 21 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R +Total Standard Deviation in ln(k): 2.523763545425138 +""", +) + +entry( + index = 1132, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(0.00331597,'m^3/(mol*s)'), n=2.62678, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.020541318047604767, var=0.6928230533700117, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H',), comment="""BM rule fitted to 11 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 1.720272500928494"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 1.720272500928494""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 1.720272500928494 +""", +) + +entry( + index = 1133, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_N-Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(3.95321e-06,'m^3/(mol*s)'), n=3.77587, w0=(289500,'J/mol'), E0=(28950,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12942434935250424, var=1.08906209629596, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_N-Sp-2R!H=1R!H',), comment="""BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_N-Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 2.417291005648259"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 2.417291005648259""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 2.417291005648259 +""", +) + +entry( + index = 1134, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Sp-2R!H=1R!H_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(6.02319e-08,'m^3/(mol*s)'), n=4.07118, w0=(301000,'J/mol'), E0=(24604.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.012565004378588849, var=6.4333544237835465, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Sp-2R!H=1R!H_Ext-5R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Sp-2R!H=1R!H_Ext-5R!H-R + Total Standard Deviation in ln(k): 5.116392056930592"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Sp-2R!H=1R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 5.116392056930592""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Sp-2R!H=1R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 5.116392056930592 +""", +) + +entry( + index = 1135, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_N-Sp-2R!H=1R!H_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(2.85486e-08,'m^3/(mol*s)'), n=4.23707, w0=(289500,'J/mol'), E0=(28950,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.5523030429547133, var=1.4042676263802676, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_N-Sp-2R!H=1R!H_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_N-Sp-2R!H=1R!H_Ext-5R!H-R + Total Standard Deviation in ln(k): 3.763343211057473"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_N-Sp-2R!H=1R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 3.763343211057473""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_N-Sp-2R!H=1R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 3.763343211057473 +""", +) + +entry( + index = 1136, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.0881,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1137, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2R!H-R_Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(0.0289,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2R!H-R_Sp-6R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2R!H-R_Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2R!H-R_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2R!H-R_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1138, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(0.0338,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-Sp-6R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1139, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(0.582885,'m^3/(mol*s)'), n=2.49987, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-3.6272796851386526, var=16.549970069503853, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_Sp-6R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 17.269362016815688"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 17.269362016815688""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 17.269362016815688 +""", +) + +entry( + index = 1140, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_N-Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(0.150423,'m^3/(mol*s)'), n=1.99524, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.3163139029096782, var=12.61191085952028, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_N-Sp-6R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_N-Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 10.426787615523557"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 10.426787615523557""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 10.426787615523557 +""", +) + +entry( + index = 1141, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000231326,'m^3/(mol*s)'), n=2.83594, w0=(289500,'J/mol'), E0=(28950,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.5868293903236417, var=7.2772677798226635, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Sp-6R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 9.395064360127096"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 9.395064360127096""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 9.395064360127096 +""", +) + +entry( + index = 1142, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(0.312,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(28950,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-6R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1143, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing", + kinetics = ArrheniusBM(A=(0.0367053,'m^3/(mol*s)'), n=1.97339, w0=(301000,'J/mol'), E0=(76052.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0032068399974455016, var=1.0337425107310394, Tref=1000.0, N=44, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing',), comment="""BM rule fitted to 44 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing + Total Standard Deviation in ln(k): 2.046334263016774"""), + rank = 11, + shortDesc = """BM rule fitted to 44 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing +Total Standard Deviation in ln(k): 2.046334263016774""", + longDesc = +""" +BM rule fitted to 44 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing +Total Standard Deviation in ln(k): 2.046334263016774 +""", +) + +entry( + index = 1144, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(2.75856,'m^3/(mol*s)'), n=1.56064, w0=(301000,'J/mol'), E0=(73501.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.02649730604937129, var=1.3139073841411997, Tref=1000.0, N=88, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R',), comment="""BM rule fitted to 88 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R + Total Standard Deviation in ln(k): 2.3645197500861617"""), + rank = 11, + shortDesc = """BM rule fitted to 88 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 2.3645197500861617""", + longDesc = +""" +BM rule fitted to 88 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 2.3645197500861617 +""", +) + +entry( + index = 1145, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(7.38624e-07,'m^3/(mol*s)'), n=3.59333, w0=(298476,'J/mol'), E0=(62475,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.11023815751982968, var=2.683458666021723, Tref=1000.0, N=41, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 41 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 3.5609900954548506"""), + rank = 11, + shortDesc = """BM rule fitted to 41 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.5609900954548506""", + longDesc = +""" +BM rule fitted to 41 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.5609900954548506 +""", +) + +entry( + index = 1146, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(9.181e-06,'m^3/(mol*s)'), n=3.16695, w0=(298476,'J/mol'), E0=(64414.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09753644425192078, var=2.7278925473754008, Tref=1000.0, N=41, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R',), comment="""BM rule fitted to 41 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R + Total Standard Deviation in ln(k): 3.556153648099187"""), + rank = 11, + shortDesc = """BM rule fitted to 41 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.556153648099187""", + longDesc = +""" +BM rule fitted to 41 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.556153648099187 +""", +) + +entry( + index = 1147, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing", + kinetics = ArrheniusBM(A=(0.0265546,'m^3/(mol*s)'), n=2.05959, w0=(301000,'J/mol'), E0=(75966.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0016924070819177373, var=0.07549445035667904, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing + Total Standard Deviation in ln(k): 0.5550783699363031"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing +Total Standard Deviation in ln(k): 0.5550783699363031""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing +Total Standard Deviation in ln(k): 0.5550783699363031 +""", +) + +entry( + index = 1148, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing", + kinetics = ArrheniusBM(A=(0.00142575,'m^3/(mol*s)'), n=2.62551, w0=(297714,'J/mol'), E0=(69943.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.031224383916030666, var=0.995953426618264, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing + Total Standard Deviation in ln(k): 2.079128037808627"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing +Total Standard Deviation in ln(k): 2.079128037808627""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing +Total Standard Deviation in ln(k): 2.079128037808627 +""", +) + +entry( + index = 1149, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.00605,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(76919.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1150, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.000143181,'m^3/(mol*s)'), n=2.43224, w0=(301000,'J/mol'), E0=(68491,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06032840135261788, var=0.8008462374834765, Tref=1000.0, N=22, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H',), comment="""BM rule fitted to 22 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 1.945616573432604"""), + rank = 11, + shortDesc = """BM rule fitted to 22 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.945616573432604""", + longDesc = +""" +BM rule fitted to 22 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.945616573432604 +""", +) + +entry( + index = 1151, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(8.42336e-08,'m^3/(mol*s)'), n=3.33407, w0=(301000,'J/mol'), E0=(52515.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.13478387156646363, var=1.2105286321421664, Tref=1000.0, N=44, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 44 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 2.544343188619839"""), + rank = 11, + shortDesc = """BM rule fitted to 44 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 2.544343188619839""", + longDesc = +""" +BM rule fitted to 44 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 2.544343188619839 +""", +) + +entry( + index = 1152, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(2.56426e-05,'m^3/(mol*s)'), n=2.75334, w0=(301000,'J/mol'), E0=(53846.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09602536803313809, var=1.3352502083649829, Tref=1000.0, N=132, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R',), comment="""BM rule fitted to 132 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R + Total Standard Deviation in ln(k): 2.557801837204812"""), + rank = 11, + shortDesc = """BM rule fitted to 132 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 2.557801837204812""", + longDesc = +""" +BM rule fitted to 132 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 2.557801837204812 +""", +) + +entry( + index = 1153, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(3.71332e-19,'m^3/(mol*s)'), n=6.811, w0=(298125,'J/mol'), E0=(23968.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.42860707557261307, var=1.4420930137499128, Tref=1000.0, N=48, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H',), comment="""BM rule fitted to 48 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 3.484331965516267"""), + rank = 11, + shortDesc = """BM rule fitted to 48 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 3.484331965516267""", + longDesc = +""" +BM rule fitted to 48 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 3.484331965516267 +""", +) + +entry( + index = 1154, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(5.65286e-16,'m^3/(mol*s)'), n=5.87854, w0=(298125,'J/mol'), E0=(22275.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.34553793117371856, var=1.5790822374806055, Tref=1000.0, N=96, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 96 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 3.3873667071229026"""), + rank = 11, + shortDesc = """BM rule fitted to 96 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 3.3873667071229026""", + longDesc = +""" +BM rule fitted to 96 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 3.3873667071229026 +""", +) + +entry( + index = 1155, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing", + kinetics = ArrheniusBM(A=(0.0169685,'m^3/(mol*s)'), n=1.93931, w0=(301000,'J/mol'), E0=(72000.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.004843838514376358, var=0.20027535893656692, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing + Total Standard Deviation in ln(k): 0.9093321972731873"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing +Total Standard Deviation in ln(k): 0.9093321972731873""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing +Total Standard Deviation in ln(k): 0.9093321972731873 +""", +) + +entry( + index = 1156, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing", + kinetics = ArrheniusBM(A=(0.000587998,'m^3/(mol*s)'), n=2.54865, w0=(297714,'J/mol'), E0=(64729.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.038289767834890256, var=1.0061391211532622, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing + Total Standard Deviation in ln(k): 2.1070847643457977"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing +Total Standard Deviation in ln(k): 2.1070847643457977""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing +Total Standard Deviation in ln(k): 2.1070847643457977 +""", +) + +entry( + index = 1157, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.000628,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(48418.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1158, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_Sp-8R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000499,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(50879.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_Sp-8R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_Sp-8R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1159, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_N-Sp-8R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000537,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(55517.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_N-Sp-8R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_N-Sp-8R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_N-Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_N-Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1160, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing", + kinetics = ArrheniusBM(A=(3.75763e-07,'m^3/(mol*s)'), n=3.24979, w0=(301000,'J/mol'), E0=(50968.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10919404599851565, var=0.9368805417709483, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing + Total Standard Deviation in ln(k): 2.2147918972044205"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing +Total Standard Deviation in ln(k): 2.2147918972044205""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing +Total Standard Deviation in ln(k): 2.2147918972044205 +""", +) + +entry( + index = 1161, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing", + kinetics = ArrheniusBM(A=(7.91048e-08,'m^3/(mol*s)'), n=3.62617, w0=(297714,'J/mol'), E0=(43340.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.15043052900637124, var=1.1879632841189525, Tref=1000.0, N=14, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing',), comment="""BM rule fitted to 14 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing + Total Standard Deviation in ln(k): 2.563001659656869"""), + rank = 11, + shortDesc = """BM rule fitted to 14 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing +Total Standard Deviation in ln(k): 2.563001659656869""", + longDesc = +""" +BM rule fitted to 14 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing +Total Standard Deviation in ln(k): 2.563001659656869 +""", +) + +entry( + index = 1162, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(7.83754e-06,'m^3/(mol*s)'), n=2.9913, w0=(301000,'J/mol'), E0=(40047.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.020307477739639663, var=4.229746585589933, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 4.174031682325885"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 4.174031682325885""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 4.174031682325885 +""", +) + +entry( + index = 1163, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000114601,'m^3/(mol*s)'), n=2.6012, w0=(301000,'J/mol'), E0=(52125,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0009751579820380963, var=0.4365939386315393, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_4R!H-inRing + Total Standard Deviation in ln(k): 1.3270839697033463"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_4R!H-inRing +Total Standard Deviation in ln(k): 1.3270839697033463""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_4R!H-inRing +Total Standard Deviation in ln(k): 1.3270839697033463 +""", +) + +entry( + index = 1164, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.035938,'m^3/(mol*s)'), n=1.9525, w0=(301000,'J/mol'), E0=(50307.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0006137028511115025, var=0.45875004828957755, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_N-4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 1.3593708761800594"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 1.3593708761800594""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 1.3593708761800594 +""", +) + +entry( + index = 1165, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-2R!H=1R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00342,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(62452.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-2R!H=1R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-2R!H=1R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-2R!H=1R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-2R!H=1R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1166, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-2R!H=1R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00462,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(52950.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-2R!H=1R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-2R!H=1R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-2R!H=1R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-2R!H=1R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1167, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(8.72857e-06,'m^3/(mol*s)'), n=3.02347, w0=(301000,'J/mol'), E0=(72792.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.054512391694125306, var=0.6902146430570881, Tref=1000.0, N=22, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H',), comment="""BM rule fitted to 22 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 1.8024828230548662"""), + rank = 11, + shortDesc = """BM rule fitted to 22 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.8024828230548662""", + longDesc = +""" +BM rule fitted to 22 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.8024828230548662 +""", +) + +entry( + index = 1168, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(1.08943e-26,'m^3/(mol*s)'), n=9.18452, w0=(297500,'J/mol'), E0=(4121.41,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5305706988878702, var=0.9086726088438881, Tref=1000.0, N=48, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 48 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 3.244092299627045"""), + rank = 11, + shortDesc = """BM rule fitted to 48 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 3.244092299627045""", + longDesc = +""" +BM rule fitted to 48 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 3.244092299627045 +""", +) + +entry( + index = 1169, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(4.60911e-06,'m^3/(mol*s)'), n=3.17885, w0=(301000,'J/mol'), E0=(61236.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06465968045749322, var=0.7840458061059796, Tref=1000.0, N=132, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R',), comment="""BM rule fitted to 132 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R + Total Standard Deviation in ln(k): 1.9375814690762645"""), + rank = 11, + shortDesc = """BM rule fitted to 132 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 1.9375814690762645""", + longDesc = +""" +BM rule fitted to 132 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 1.9375814690762645 +""", +) + +entry( + index = 1170, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(8.98577e-13,'m^3/(mol*s)'), n=5.17751, w0=(301205,'J/mol'), E0=(45542.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4167722090356054, var=0.9503913111125658, Tref=1000.0, N=110, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H',), comment="""BM rule fitted to 110 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 3.0015427916894066"""), + rank = 11, + shortDesc = """BM rule fitted to 110 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 3.0015427916894066""", + longDesc = +""" +BM rule fitted to 110 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 3.0015427916894066 +""", +) + +entry( + index = 1171, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.000327451,'m^3/(mol*s)'), n=2.80293, w0=(289500,'J/mol'), E0=(83018.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.17501722163047234, var=2.5951712182248006, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_Sp-5R!H=4R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 3.6692767766969863"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 3.6692767766969863""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 3.6692767766969863 +""", +) + +entry( + index = 1172, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(1.31367e-18,'m^3/(mol*s)'), n=6.80608, w0=(289500,'J/mol'), E0=(15635.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.403139887949615, var=0.6078557101824283, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 2.5759080356450235"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 2.5759080356450235""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 2.5759080356450235 +""", +) + +entry( + index = 1173, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.003,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(76228.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1174, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(1.68444e-05,'m^3/(mol*s)'), n=3.03706, w0=(301000,'J/mol'), E0=(66089,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.001079968777948778, var=0.22024472637005427, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 0.9435404378143396"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.9435404378143396""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.9435404378143396 +""", +) + +entry( + index = 1175, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000926,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(64994.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1176, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000785,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(66609.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1177, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.000431002,'m^3/(mol*s)'), n=2.83302, w0=(297714,'J/mol'), E0=(70313.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.014787749954041985, var=0.9455829191914058, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 1.9865813510522135"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.9865813510522135""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.9865813510522135 +""", +) + +entry( + index = 1178, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(6.26764e-06,'m^3/(mol*s)'), n=3.28603, w0=(297714,'J/mol'), E0=(58031.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.05626573499050361, var=0.9433734841637809, Tref=1000.0, N=14, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 14 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 2.0885185617309103"""), + rank = 11, + shortDesc = """BM rule fitted to 14 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 2.0885185617309103""", + longDesc = +""" +BM rule fitted to 14 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 2.0885185617309103 +""", +) + +entry( + index = 1179, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(0.000141283,'m^3/(mol*s)'), n=2.83827, w0=(301000,'J/mol'), E0=(57757.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0036892845735602945, var=0.2010241370208388, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 0.9081068718871326"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 0.9081068718871326""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 0.9081068718871326 +""", +) + +entry( + index = 1180, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_N-Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(2.08979e-05,'m^3/(mol*s)'), n=3.31625, w0=(289500,'J/mol'), E0=(66776.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04628122367697595, var=0.8484133047913579, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_N-Sp-2R!H=1R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_N-Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 1.9628330057519316"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 1.9628330057519316""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 1.9628330057519316 +""", +) + +entry( + index = 1181, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(4.63346e-16,'m^3/(mol*s)'), n=6.3656, w0=(289500,'J/mol'), E0=(11168.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5207487948905668, var=1.739181150010893, Tref=1000.0, N=25, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 25 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 3.9522189337372398"""), + rank = 11, + shortDesc = """BM rule fitted to 25 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 3.9522189337372398""", + longDesc = +""" +BM rule fitted to 25 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 3.9522189337372398 +""", +) + +entry( + index = 1182, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Sp-5R!H-4R!H", + kinetics = ArrheniusBM(A=(6.05e-05,'m^3/(mol*s)'), n=2.9, w0=(289500,'J/mol'), E0=(63951.3,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Sp-5R!H-4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Sp-5R!H-4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Sp-5R!H-4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Sp-5R!H-4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1183, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H", + kinetics = ArrheniusBM(A=(0.170885,'m^3/(mol*s)'), n=2.33088, w0=(289500,'J/mol'), E0=(73042.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0009143466139743782, var=6.7927094608266305, Tref=1000.0, N=14, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H',), comment="""BM rule fitted to 14 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H + Total Standard Deviation in ln(k): 5.227203683793032"""), + rank = 11, + shortDesc = """BM rule fitted to 14 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H +Total Standard Deviation in ln(k): 5.227203683793032""", + longDesc = +""" +BM rule fitted to 14 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H +Total Standard Deviation in ln(k): 5.227203683793032 +""", +) + +entry( + index = 1184, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.00322206,'m^3/(mol*s)'), n=2.76547, w0=(289500,'J/mol'), E0=(79299.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0005004506517804408, var=0.40032845210365875, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 1.269683654745151"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 1.269683654745151""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 1.269683654745151 +""", +) + +entry( + index = 1185, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0677,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(74478.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1186, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(2.54375e-05,'m^3/(mol*s)'), n=3.2899, w0=(289500,'J/mol'), E0=(68054.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.0745036439385367, var=2.845675438040737, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 6.081571544221062"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 6.081571544221062""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 6.081571544221062 +""", +) + +entry( + index = 1187, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H=4R!H_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.00455091,'m^3/(mol*s)'), n=2.66763, w0=(289500,'J/mol'), E0=(68817.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.003805585277545935, var=0.15117610829956676, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H=4R!H_Ext-5R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H=4R!H_Ext-5R!H-R + Total Standard Deviation in ln(k): 0.7890302736648168"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H=4R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.7890302736648168""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H=4R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.7890302736648168 +""", +) + +entry( + index = 1188, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_N-Sp-4R!H-3R_N-5R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.903321,'m^3/(mol*s)'), n=1.925, w0=(289500,'J/mol'), E0=(28950,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_N-Sp-4R!H-3R_N-5R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_N-Sp-4R!H-3R_N-5R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_N-Sp-4R!H-3R_N-5R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_N-Sp-4R!H-3R_N-5R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1189, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_N-Sp-4R!H-3R_N-5R!H-inRing_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(3.33086e-20,'m^3/(mol*s)'), n=7.4602, w0=(289500,'J/mol'), E0=(9890.33,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0830189597715635, var=67.51337564566681, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_N-Sp-4R!H-3R_N-5R!H-inRing_Ext-5R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_N-Sp-4R!H-3R_N-5R!H-inRing_Ext-5R!H-R + Total Standard Deviation in ln(k): 16.680801512182864"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_N-Sp-4R!H-3R_N-5R!H-inRing_Ext-5R!H-R +Total Standard Deviation in ln(k): 16.680801512182864""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_N-Sp-4R!H-3R_N-5R!H-inRing_Ext-5R!H-R +Total Standard Deviation in ln(k): 16.680801512182864 +""", +) + +entry( + index = 1190, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing", + kinetics = ArrheniusBM(A=(3.59389e-24,'m^3/(mol*s)'), n=8.51677, w0=(298042,'J/mol'), E0=(12985.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4858800158594962, var=1.3188514428996012, Tref=1000.0, N=71, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing',), comment="""BM rule fitted to 71 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing + Total Standard Deviation in ln(k): 3.523067032791746"""), + rank = 11, + shortDesc = """BM rule fitted to 71 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing +Total Standard Deviation in ln(k): 3.523067032791746""", + longDesc = +""" +BM rule fitted to 71 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing +Total Standard Deviation in ln(k): 3.523067032791746 +""", +) + +entry( + index = 1191, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing", + kinetics = ArrheniusBM(A=(9.68256e-20,'m^3/(mol*s)'), n=7.20194, w0=(300852,'J/mol'), E0=(25089.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3546695504254532, var=2.554869512415237, Tref=1000.0, N=250, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing',), comment="""BM rule fitted to 250 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing + Total Standard Deviation in ln(k): 4.09548988914901"""), + rank = 11, + shortDesc = """BM rule fitted to 250 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing +Total Standard Deviation in ln(k): 4.09548988914901""", + longDesc = +""" +BM rule fitted to 250 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing +Total Standard Deviation in ln(k): 4.09548988914901 +""", +) + +entry( + index = 1192, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(2.76308,'m^3/(mol*s)'), n=1.44302, w0=(301000,'J/mol'), E0=(78102.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.05002631519643461, var=2.2140359753695105, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 3.1086672844878165"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.1086672844878165""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.1086672844878165 +""", +) + +entry( + index = 1193, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_2R!H->O", + kinetics = ArrheniusBM(A=(5.43214e-05,'m^3/(mol*s)'), n=3.00879, w0=(393500,'J/mol'), E0=(42076.8,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_2R!H->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_2R!H->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_2R!H->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_2R!H->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1194, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_N-2R!H->O", + kinetics = ArrheniusBM(A=(3.21954e-06,'m^3/(mol*s)'), n=3.20742, w0=(301000,'J/mol'), E0=(64132.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0061271440586658, var=0.03376216899522469, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_N-2R!H->O',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_N-2R!H->O + Total Standard Deviation in ln(k): 0.38375457545973046"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_N-2R!H->O +Total Standard Deviation in ln(k): 0.38375457545973046""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_N-2R!H->O +Total Standard Deviation in ln(k): 0.38375457545973046 +""", +) + +entry( + index = 1195, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.00239304,'m^3/(mol*s)'), n=2.62317, w0=(301000,'J/mol'), E0=(66044,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08033324512861596, var=0.6622496103821948, Tref=1000.0, N=34, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R',), comment="""BM rule fitted to 34 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 1.833270074127149"""), + rank = 11, + shortDesc = """BM rule fitted to 34 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.833270074127149""", + longDesc = +""" +BM rule fitted to 34 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.833270074127149 +""", +) + +entry( + index = 1196, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_2R!H->O", + kinetics = ArrheniusBM(A=(130000,'m^3/(mol*s)'), n=0, w0=(399500,'J/mol'), E0=(50609,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_2R!H->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_2R!H->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_2R!H->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_2R!H->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1197, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_N-2R!H->O", + kinetics = ArrheniusBM(A=(4.01939e-07,'m^3/(mol*s)'), n=3.76437, w0=(301000,'J/mol'), E0=(62857.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.706479705198307, var=1.6326112070707683, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_N-2R!H->O',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_N-2R!H->O + Total Standard Deviation in ln(k): 4.336598322319394"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_N-2R!H->O +Total Standard Deviation in ln(k): 4.336598322319394""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_N-2R!H->O +Total Standard Deviation in ln(k): 4.336598322319394 +""", +) + +entry( + index = 1198, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_N-Sp-4R!H-3R_N-1R!H-inRing_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(1.04e-06,'m^3/(mol*s)'), n=3.05, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_N-Sp-4R!H-3R_N-1R!H-inRing_Ext-1R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_N-Sp-4R!H-3R_N-1R!H-inRing_Ext-1R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_N-Sp-4R!H-3R_N-1R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_N-Sp-4R!H-3R_N-1R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1199, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(4.50931e-18,'m^3/(mol*s)'), n=6.63825, w0=(297769,'J/mol'), E0=(15346.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.28975937911315364, var=1.1424842238437072, Tref=1000.0, N=65, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 65 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 2.8708408987455134"""), + rank = 11, + shortDesc = """BM rule fitted to 65 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.8708408987455134""", + longDesc = +""" +BM rule fitted to 65 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.8708408987455134 +""", +) + +entry( + index = 1200, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(5.8281e-07,'m^3/(mol*s)'), n=3.23676, w0=(301000,'J/mol'), E0=(54798.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.21703035536358273, var=1.714114811330594, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R + Total Standard Deviation in ln(k): 3.169985913254945"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 3.169985913254945""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 3.169985913254945 +""", +) + +entry( + index = 1201, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-3R-R", + kinetics = ArrheniusBM(A=(2.26382e-06,'m^3/(mol*s)'), n=3.08172, w0=(301000,'J/mol'), E0=(51735.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.019907305042107762, var=1.3890418317146929, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-3R-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-3R-R + Total Standard Deviation in ln(k): 2.4127513805175775"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-3R-R +Total Standard Deviation in ln(k): 2.4127513805175775""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-3R-R +Total Standard Deviation in ln(k): 2.4127513805175775 +""", +) + +entry( + index = 1202, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(7.46921e-05,'m^3/(mol*s)'), n=2.77193, w0=(301000,'J/mol'), E0=(51642.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03828197286580285, var=1.1532407861666534, Tref=1000.0, N=120, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R',), comment="""BM rule fitted to 120 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R + Total Standard Deviation in ln(k): 2.249051797598881"""), + rank = 11, + shortDesc = """BM rule fitted to 120 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.249051797598881""", + longDesc = +""" +BM rule fitted to 120 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.249051797598881 +""", +) + +entry( + index = 1203, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C", + kinetics = ArrheniusBM(A=(1.39597e-14,'m^3/(mol*s)'), n=5.46796, w0=(301000,'J/mol'), E0=(9784.71,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.20937455240196443, var=0.4335295925577035, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C + Total Standard Deviation in ln(k): 1.8460437125111742"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C +Total Standard Deviation in ln(k): 1.8460437125111742""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C +Total Standard Deviation in ln(k): 1.8460437125111742 +""", +) + +entry( + index = 1204, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_N-3R->C", + kinetics = ArrheniusBM(A=(100000,'m^3/(mol*s)'), n=0, w0=(307000,'J/mol'), E0=(60335.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_N-3R->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_N-3R->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_N-3R->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_N-3R->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1205, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing", + kinetics = ArrheniusBM(A=(3.78116e-10,'m^3/(mol*s)'), n=4.17114, w0=(301000,'J/mol'), E0=(19346.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.16676337304479474, var=0.4259339900291598, Tref=1000.0, N=18, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing',), comment="""BM rule fitted to 18 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing + Total Standard Deviation in ln(k): 1.7273661027962626"""), + rank = 11, + shortDesc = """BM rule fitted to 18 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing +Total Standard Deviation in ln(k): 1.7273661027962626""", + longDesc = +""" +BM rule fitted to 18 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing +Total Standard Deviation in ln(k): 1.7273661027962626 +""", +) + +entry( + index = 1206, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.00033531,'m^3/(mol*s)'), n=2.71389, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.028795109653680668, var=0.2657326432478614, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.1057756630319615"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.1057756630319615""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.1057756630319615 +""", +) + +entry( + index = 1207, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.000120905,'m^3/(mol*s)'), n=2.65089, w0=(301000,'J/mol'), E0=(13711.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0014953960473065497, var=0.02037990057016342, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-3R-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-3R-R + Total Standard Deviation in ln(k): 0.28994962588049217"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 0.28994962588049217""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 0.28994962588049217 +""", +) + +entry( + index = 1208, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000189556,'m^3/(mol*s)'), n=2.62899, w0=(301000,'J/mol'), E0=(17643.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0019164775284604338, var=0.019297475715688708, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_Sp-10R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 0.28330375412556136"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 0.28330375412556136""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 0.28330375412556136 +""", +) + +entry( + index = 1209, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(2.50158e-10,'m^3/(mol*s)'), n=4.29969, w0=(301000,'J/mol'), E0=(16314.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.10426661746783021, var=0.5265476374971056, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Ext-3R-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Ext-3R-R + Total Standard Deviation in ln(k): 1.7166844140050808"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 1.7166844140050808""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 1.7166844140050808 +""", +) + +entry( + index = 1210, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(7.69308e-06,'m^3/(mol*s)'), n=3.0999, w0=(301000,'J/mol'), E0=(48533.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.010208492419758802, var=0.8617597892566469, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Sp-8R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 1.8866654578721147"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 1.8866654578721147""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 1.8866654578721147 +""", +) + +entry( + index = 1211, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_N-Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(6.86341e-12,'m^3/(mol*s)'), n=4.77513, w0=(301000,'J/mol'), E0=(14564.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08187697333624759, var=3.3475182493693927, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_N-Sp-8R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_N-Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 3.8736293094691283"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 3.8736293094691283""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 3.8736293094691283 +""", +) + +entry( + index = 1212, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-3R-R_Sp-6R!H-2C", + kinetics = ArrheniusBM(A=(0.000608,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(38200.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-3R-R_Sp-6R!H-2C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-3R-R_Sp-6R!H-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-3R-R_Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-3R-R_Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1213, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-3R-R_N-Sp-6R!H-2C", + kinetics = ArrheniusBM(A=(0.000654,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(46232.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-3R-R_N-Sp-6R!H-2C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-3R-R_N-Sp-6R!H-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-3R-R_N-Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-3R-R_N-Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1214, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(7.70556e-10,'m^3/(mol*s)'), n=4.19156, w0=(301000,'J/mol'), E0=(13018.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.15602200053278747, var=0.21155564496646273, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R_Ext-5R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.31409655497785"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.31409655497785""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.31409655497785 +""", +) + +entry( + index = 1215, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.000765,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(33957.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1216, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Ext-6R!H-R_5R!H-inRing_Ext-2CO-R", + kinetics = ArrheniusBM(A=(1.73711e-07,'m^3/(mol*s)'), n=3.51956, w0=(301000,'J/mol'), E0=(15012.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.13538115018888008, var=0.4491799564062785, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Ext-6R!H-R_5R!H-inRing_Ext-2CO-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Ext-6R!H-R_5R!H-inRing_Ext-2CO-R + Total Standard Deviation in ln(k): 1.683744914911157"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Ext-6R!H-R_5R!H-inRing_Ext-2CO-R +Total Standard Deviation in ln(k): 1.683744914911157""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Ext-6R!H-R_5R!H-inRing_Ext-2CO-R +Total Standard Deviation in ln(k): 1.683744914911157 +""", +) + +entry( + index = 1217, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Ext-6R!H-R_5R!H-inRing_Ext-3R-R", + kinetics = ArrheniusBM(A=(4.63513e-07,'m^3/(mol*s)'), n=3.2884, w0=(301000,'J/mol'), E0=(6899.43,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.047411278491737374, var=0.7845418844322549, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Ext-6R!H-R_5R!H-inRing_Ext-3R-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Ext-6R!H-R_5R!H-inRing_Ext-3R-R + Total Standard Deviation in ln(k): 1.8948052602943903"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Ext-6R!H-R_5R!H-inRing_Ext-3R-R +Total Standard Deviation in ln(k): 1.8948052602943903""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Ext-6R!H-R_5R!H-inRing_Ext-3R-R +Total Standard Deviation in ln(k): 1.8948052602943903 +""", +) + +entry( + index = 1218, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-2CO-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.0780038,'m^3/(mol*s)'), n=2.10017, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.029358714524195424, var=0.39060204538365023, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-2CO-R_Ext-7R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-2CO-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 1.326688222873213"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-2CO-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.326688222873213""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-2CO-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.326688222873213 +""", +) + +entry( + index = 1219, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-2CO-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.0060036,'m^3/(mol*s)'), n=2.27495, w0=(301000,'J/mol'), E0=(13210.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.012796402505976513, var=0.11086889717297682, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-2CO-R_Ext-3R-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-2CO-R_Ext-3R-R + Total Standard Deviation in ln(k): 0.6996680313443713"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-2CO-R_Ext-3R-R +Total Standard Deviation in ln(k): 0.6996680313443713""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-2CO-R_Ext-3R-R +Total Standard Deviation in ln(k): 0.6996680313443713 +""", +) + +entry( + index = 1220, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-2CO-R_Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00272,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-2CO-R_Sp-6R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-2CO-R_Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-2CO-R_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-2CO-R_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1221, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-2CO-R_N-Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00318,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-2CO-R_N-Sp-6R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-2CO-R_N-Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-2CO-R_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-2CO-R_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1222, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-3R-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.0286398,'m^3/(mol*s)'), n=2.05231, w0=(301000,'J/mol'), E0=(788.341,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3698659397734456, var=0.17623999037767074, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-3R-R_Ext-3R-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-3R-R_Ext-3R-R + Total Standard Deviation in ln(k): 1.7709181750684848"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 1.7709181750684848""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 1.7709181750684848 +""", +) + +entry( + index = 1223, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-3R-R_Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00192,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-3R-R_Sp-6R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-3R-R_Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-3R-R_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-3R-R_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1224, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-3R-R_N-Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00249,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-3R-R_N-Sp-6R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-3R-R_N-Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-3R-R_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-3R-R_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1225, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_N-Sp-2CO=1C_Sp-6R!H=5R!H_Ext-3R-R", + kinetics = ArrheniusBM(A=(4.57416e-06,'m^3/(mol*s)'), n=3.13268, w0=(289500,'J/mol'), E0=(26148,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.7472801640320634, var=0.005792530675207304, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_N-Sp-2CO=1C_Sp-6R!H=5R!H_Ext-3R-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_N-Sp-2CO=1C_Sp-6R!H=5R!H_Ext-3R-R + Total Standard Deviation in ln(k): 2.0301660857953157"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_N-Sp-2CO=1C_Sp-6R!H=5R!H_Ext-3R-R +Total Standard Deviation in ln(k): 2.0301660857953157""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_N-Sp-2CO=1C_Sp-6R!H=5R!H_Ext-3R-R +Total Standard Deviation in ln(k): 2.0301660857953157 +""", +) + +entry( + index = 1226, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_N-Sp-2CO=1C_N-Sp-6R!H=5R!H_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.000533233,'m^3/(mol*s)'), n=2.86322, w0=(289500,'J/mol'), E0=(28058.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.46296144842390496, var=0.006442316964462387, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_N-Sp-2CO=1C_N-Sp-6R!H=5R!H_Ext-3R-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_N-Sp-2CO=1C_N-Sp-6R!H=5R!H_Ext-3R-R + Total Standard Deviation in ln(k): 1.3241278666813288"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_N-Sp-2CO=1C_N-Sp-6R!H=5R!H_Ext-3R-R +Total Standard Deviation in ln(k): 1.3241278666813288""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_N-Sp-2CO=1C_N-Sp-6R!H=5R!H_Ext-3R-R +Total Standard Deviation in ln(k): 1.3241278666813288 +""", +) + +entry( + index = 1227, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_1R!H-inRing", + kinetics = ArrheniusBM(A=(0.455142,'m^3/(mol*s)'), n=2.00691, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.29769660529129216, var=7.7723870020847, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_1R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_1R!H-inRing + Total Standard Deviation in ln(k): 6.336982555476383"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_1R!H-inRing +Total Standard Deviation in ln(k): 6.336982555476383""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_1R!H-inRing +Total Standard Deviation in ln(k): 6.336982555476383 +""", +) + +entry( + index = 1228, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing", + kinetics = ArrheniusBM(A=(63.5771,'m^3/(mol*s)'), n=1.16208, w0=(301000,'J/mol'), E0=(82101.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.12738223937018303, var=0.628890077987358, Tref=1000.0, N=44, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing',), comment="""BM rule fitted to 44 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing + Total Standard Deviation in ln(k): 1.9098627167211015"""), + rank = 11, + shortDesc = """BM rule fitted to 44 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing +Total Standard Deviation in ln(k): 1.9098627167211015""", + longDesc = +""" +BM rule fitted to 44 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing +Total Standard Deviation in ln(k): 1.9098627167211015 +""", +) + +entry( + index = 1229, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(287.641,'m^3/(mol*s)'), n=1.08446, w0=(301000,'J/mol'), E0=(75680.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.12955733198152924, var=0.7023207875379288, Tref=1000.0, N=88, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R',), comment="""BM rule fitted to 88 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R + Total Standard Deviation in ln(k): 2.005580775821476"""), + rank = 11, + shortDesc = """BM rule fitted to 88 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 2.005580775821476""", + longDesc = +""" +BM rule fitted to 88 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 2.005580775821476 +""", +) + +entry( + index = 1230, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R", + kinetics = ArrheniusBM(A=(3.81702,'m^3/(mol*s)'), n=1.66843, w0=(301000,'J/mol'), E0=(66006.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08883236750590132, var=0.9327978948961443, Tref=1000.0, N=64, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R',), comment="""BM rule fitted to 64 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R + Total Standard Deviation in ln(k): 2.1593993655016286"""), + rank = 11, + shortDesc = """BM rule fitted to 64 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R +Total Standard Deviation in ln(k): 2.1593993655016286""", + longDesc = +""" +BM rule fitted to 64 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R +Total Standard Deviation in ln(k): 2.1593993655016286 +""", +) + +entry( + index = 1231, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H", + kinetics = ArrheniusBM(A=(0.000177863,'m^3/(mol*s)'), n=2.88838, w0=(301000,'J/mol'), E0=(54345.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04556236328626179, var=0.13746702164972655, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H + Total Standard Deviation in ln(k): 0.8577648102119106"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H +Total Standard Deviation in ln(k): 0.8577648102119106""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H +Total Standard Deviation in ln(k): 0.8577648102119106 +""", +) + +entry( + index = 1232, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_N-Sp-5R!H-1R!H", + kinetics = ArrheniusBM(A=(6.20211e-09,'m^3/(mol*s)'), n=4.27144, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.924812543718952, var=0.6695235531534569, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_N-Sp-5R!H-1R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_N-Sp-5R!H-1R!H + Total Standard Deviation in ln(k): 6.476575249360081"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_N-Sp-5R!H-1R!H +Total Standard Deviation in ln(k): 6.476575249360081""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_N-Sp-5R!H-1R!H +Total Standard Deviation in ln(k): 6.476575249360081 +""", +) + +entry( + index = 1233, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_5R!H-inRing", + kinetics = ArrheniusBM(A=(0.00202126,'m^3/(mol*s)'), n=2.53653, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.011989421637396686, var=0.5760402204672854, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_5R!H-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_5R!H-inRing + Total Standard Deviation in ln(k): 1.5516642425797242"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_5R!H-inRing +Total Standard Deviation in ln(k): 1.5516642425797242""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_5R!H-inRing +Total Standard Deviation in ln(k): 1.5516642425797242 +""", +) + +entry( + index = 1234, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing", + kinetics = ArrheniusBM(A=(0.0217745,'m^3/(mol*s)'), n=2.3919, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.6022460051036259, var=1.7768798413360258, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing',), comment="""BM rule fitted to 11 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing + Total Standard Deviation in ln(k): 4.1854858885209545"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing +Total Standard Deviation in ln(k): 4.1854858885209545""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing +Total Standard Deviation in ln(k): 4.1854858885209545 +""", +) + +entry( + index = 1235, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-2C-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.00958,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-2C-R_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-2C-R_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-2C-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-2C-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1236, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-3R-R_Sp-5R!H-2C", + kinetics = ArrheniusBM(A=(0.00762,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-3R-R_Sp-5R!H-2C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-3R-R_Sp-5R!H-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-3R-R_Sp-5R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-3R-R_Sp-5R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1237, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-3R-R_N-Sp-5R!H-2C", + kinetics = ArrheniusBM(A=(0.00819,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-3R-R_N-Sp-5R!H-2C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-3R-R_N-Sp-5R!H-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-3R-R_N-Sp-5R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-3R-R_N-Sp-5R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1238, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(9.96247e-06,'m^3/(mol*s)'), n=3.303, w0=(289500,'J/mol'), E0=(28950,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08461765423358031, var=0.6808265500150256, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1R!H-R + Total Standard Deviation in ln(k): 1.8667584736105638"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1R!H-R +Total Standard Deviation in ln(k): 1.8667584736105638""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1R!H-R +Total Standard Deviation in ln(k): 1.8667584736105638 +""", +) + +entry( + index = 1239, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.00789,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(28950,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1240, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(0.00119713,'m^3/(mol*s)'), n=3.02886, w0=(289500,'J/mol'), E0=(28950,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.05864057190082166, var=0.6763187330659931, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1R!H-R + Total Standard Deviation in ln(k): 1.7960041817969867"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1R!H-R +Total Standard Deviation in ln(k): 1.7960041817969867""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1R!H-R +Total Standard Deviation in ln(k): 1.7960041817969867 +""", +) + +entry( + index = 1241, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.105,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(28950,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1242, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(9.45449e-11,'m^3/(mol*s)'), n=4.90652, w0=(289500,'J/mol'), E0=(28950,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=2.581516902095527, var=0.6692854337080576, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 8.12629447243682"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 8.12629447243682""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 8.12629447243682 +""", +) + +entry( + index = 1243, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(8.63593e-10,'m^3/(mol*s)'), n=4.75809, w0=(289500,'J/mol'), E0=(28950,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=2.4280315093971088, var=0.6770751665950208, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 7.750169466870335"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 7.750169466870335""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 7.750169466870335 +""", +) + +entry( + index = 1244, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-1R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.0134,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(28950,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-1R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-1R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-1R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-1R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1245, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-1R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.0371,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(28950,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-1R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-1R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-1R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-1R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1246, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_6R!H-inRing", + kinetics = ArrheniusBM(A=(0.000575923,'m^3/(mol*s)'), n=2.59292, w0=(301000,'J/mol'), E0=(81290.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0009858094360485196, var=0.7641189457752292, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_6R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_6R!H-inRing + Total Standard Deviation in ln(k): 1.7548939717220686"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_6R!H-inRing +Total Standard Deviation in ln(k): 1.7548939717220686""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_6R!H-inRing +Total Standard Deviation in ln(k): 1.7548939717220686 +""", +) + +entry( + index = 1247, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_N-6R!H-inRing", + kinetics = ArrheniusBM(A=(0.00161166,'m^3/(mol*s)'), n=2.61002, w0=(301000,'J/mol'), E0=(74655.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.006554067485412346, var=0.07144188385985373, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_N-6R!H-inRing',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_N-6R!H-inRing + Total Standard Deviation in ln(k): 0.5523054188936487"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_N-6R!H-inRing +Total Standard Deviation in ln(k): 0.5523054188936487""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_N-6R!H-inRing +Total Standard Deviation in ln(k): 0.5523054188936487 +""", +) + +entry( + index = 1248, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_N-1R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.00421,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(69133.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_N-1R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_N-1R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_N-1R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_N-1R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1249, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_N-1R!H-inRing_Sp-6R!H-2R!H", + kinetics = ArrheniusBM(A=(0.00335,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(70260.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_N-1R!H-inRing_Sp-6R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_N-1R!H-inRing_Sp-6R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_N-1R!H-inRing_Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_N-1R!H-inRing_Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1250, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_N-1R!H-inRing_N-Sp-6R!H-2R!H", + kinetics = ArrheniusBM(A=(0.0036,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(77637.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_N-1R!H-inRing_N-Sp-6R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_N-1R!H-inRing_N-Sp-6R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_N-1R!H-inRing_N-Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_N-1R!H-inRing_N-Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1251, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(7.2682e-14,'m^3/(mol*s)'), n=5.50879, w0=(301000,'J/mol'), E0=(30296.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.8749723884404321, var=0.9015270470104207, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 4.101894547445016"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 4.101894547445016""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 4.101894547445016 +""", +) + +entry( + index = 1252, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.0125564,'m^3/(mol*s)'), n=2.48732, w0=(301000,'J/mol'), E0=(68483.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.019630086220013845, var=0.21883646892823028, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R + Total Standard Deviation in ln(k): 0.987136098772661"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.987136098772661""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.987136098772661 +""", +) + +entry( + index = 1253, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(3.04e-11,'m^3/(mol*s)'), n=4.841, w0=(301000,'J/mol'), E0=(27955.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2280033573345288, var=0.21169929854187763, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Sp-7R!H=6R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 1.4952672448114968"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 1.4952672448114968""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 1.4952672448114968 +""", +) + +entry( + index = 1254, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(7.05563e-11,'m^3/(mol*s)'), n=4.77515, w0=(301000,'J/mol'), E0=(30734.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06214755052030139, var=0.4525597184256098, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 1.5047862106438175"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 1.5047862106438175""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 1.5047862106438175 +""", +) + +entry( + index = 1255, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.000305002,'m^3/(mol*s)'), n=2.88151, w0=(301000,'J/mol'), E0=(59842.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.01622916018978221, var=0.26748999942238577, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-2R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 1.0776144469402198"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.0776144469402198""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.0776144469402198 +""", +) + +entry( + index = 1256, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(0.00259394,'m^3/(mol*s)'), n=2.60188, w0=(301000,'J/mol'), E0=(63556.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.009214224861962217, var=0.17262187462295106, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-4R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-4R!H-R + Total Standard Deviation in ln(k): 0.8560744127883286"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-4R!H-R +Total Standard Deviation in ln(k): 0.8560744127883286""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-4R!H-R +Total Standard Deviation in ln(k): 0.8560744127883286 +""", +) + +entry( + index = 1257, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_N-Sp-6R!H-2R!H_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(0.000282659,'m^3/(mol*s)'), n=2.93854, w0=(301000,'J/mol'), E0=(70604.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.008380288010325537, var=0.40432275707636917, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_N-Sp-6R!H-2R!H_Ext-4R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_N-Sp-6R!H-2R!H_Ext-4R!H-R + Total Standard Deviation in ln(k): 1.2957944405684996"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_N-Sp-6R!H-2R!H_Ext-4R!H-R +Total Standard Deviation in ln(k): 1.2957944405684996""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_N-Sp-6R!H-2R!H_Ext-4R!H-R +Total Standard Deviation in ln(k): 1.2957944405684996 +""", +) + +entry( + index = 1258, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-2R!H->O_N-1R!H-inRing_Ext-4R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(1.47652e-05,'m^3/(mol*s)'), n=3.00172, w0=(301000,'J/mol'), E0=(73723.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.04115689192807799, var=0.21688416926882848, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-2R!H->O_N-1R!H-inRing_Ext-4R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-2R!H->O_N-1R!H-inRing_Ext-4R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 1.0370309303707848"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-2R!H->O_N-1R!H-inRing_Ext-4R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 1.0370309303707848""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-2R!H->O_N-1R!H-inRing_Ext-4R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 1.0370309303707848 +""", +) + +entry( + index = 1259, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-2R!H->O_N-1R!H-inRing_Ext-4R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.014,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(66291,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-2R!H->O_N-1R!H-inRing_Ext-4R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-2R!H->O_N-1R!H-inRing_Ext-4R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-2R!H->O_N-1R!H-inRing_Ext-4R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-2R!H->O_N-1R!H-inRing_Ext-4R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1260, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-2R!H->O_N-1R!H-inRing_Ext-4R!H-R_Sp-6R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00664,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(65639.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-2R!H->O_N-1R!H-inRing_Ext-4R!H-R_Sp-6R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-2R!H->O_N-1R!H-inRing_Ext-4R!H-R_Sp-6R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-2R!H->O_N-1R!H-inRing_Ext-4R!H-R_Sp-6R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-2R!H->O_N-1R!H-inRing_Ext-4R!H-R_Sp-6R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1261, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-2R!H->O_N-1R!H-inRing_Ext-4R!H-R_N-Sp-6R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00701,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(63051.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-2R!H->O_N-1R!H-inRing_Ext-4R!H-R_N-Sp-6R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-2R!H->O_N-1R!H-inRing_Ext-4R!H-R_N-Sp-6R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-2R!H->O_N-1R!H-inRing_Ext-4R!H-R_N-Sp-6R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-2R!H->O_N-1R!H-inRing_Ext-4R!H-R_N-Sp-6R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1262, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(4.77166e-12,'m^3/(mol*s)'), n=5.16688, w0=(289500,'J/mol'), E0=(28950,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=2.850734237844568, var=2.4140781254268764, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-4R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-4R!H-R + Total Standard Deviation in ln(k): 10.277466652849974"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-4R!H-R +Total Standard Deviation in ln(k): 10.277466652849974""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-4R!H-R +Total Standard Deviation in ln(k): 10.277466652849974 +""", +) + +entry( + index = 1263, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(5.7602e-10,'m^3/(mol*s)'), n=4.89192, w0=(289500,'J/mol'), E0=(-15536.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=2.5664167249586023, var=2.40078178673271, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R + Total Standard Deviation in ln(k): 9.554511250598223"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R +Total Standard Deviation in ln(k): 9.554511250598223""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R +Total Standard Deviation in ln(k): 9.554511250598223 +""", +) + +entry( + index = 1264, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H", + kinetics = ArrheniusBM(A=(2.97167e-06,'m^3/(mol*s)'), n=3.4215, w0=(294000,'J/mol'), E0=(59955.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.013235944212481155, var=3.396170828079349, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H + Total Standard Deviation in ln(k): 3.727722812433555"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H +Total Standard Deviation in ln(k): 3.727722812433555""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H +Total Standard Deviation in ln(k): 3.727722812433555 +""", +) + +entry( + index = 1265, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_N-Sp-6R!H-=4R!H", + kinetics = ArrheniusBM(A=(1701.21,'m^3/(mol*s)'), n=1.04334, w0=(301000,'J/mol'), E0=(83310.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.30558990862241836, var=4.316268238021746, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_N-Sp-6R!H-=4R!H',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_N-Sp-6R!H-=4R!H + Total Standard Deviation in ln(k): 4.9327773680430145"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_N-Sp-6R!H-=4R!H +Total Standard Deviation in ln(k): 4.9327773680430145""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_N-Sp-6R!H-=4R!H +Total Standard Deviation in ln(k): 4.9327773680430145 +""", +) + +entry( + index = 1266, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_5R!H-inRing", + kinetics = ArrheniusBM(A=(8.92888e-05,'m^3/(mol*s)'), n=2.97215, w0=(301000,'J/mol'), E0=(66833.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.012288855727369118, var=0.4031086366273616, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_5R!H-inRing',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_5R!H-inRing + Total Standard Deviation in ln(k): 1.3036995995637284"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_5R!H-inRing +Total Standard Deviation in ln(k): 1.3036995995637284""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_5R!H-inRing +Total Standard Deviation in ln(k): 1.3036995995637284 +""", +) + +entry( + index = 1267, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing", + kinetics = ArrheniusBM(A=(0.139022,'m^3/(mol*s)'), n=2.12703, w0=(301000,'J/mol'), E0=(68053.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.22962770912465047, var=0.696657210171072, Tref=1000.0, N=24, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing',), comment="""BM rule fitted to 24 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing + Total Standard Deviation in ln(k): 2.2502260961118683"""), + rank = 11, + shortDesc = """BM rule fitted to 24 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing +Total Standard Deviation in ln(k): 2.2502260961118683""", + longDesc = +""" +BM rule fitted to 24 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing +Total Standard Deviation in ln(k): 2.2502260961118683 +""", +) + +entry( + index = 1268, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_N-Sp-5R!H-2R!H_1R!H-inRing_Ext-5R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.0016782,'m^3/(mol*s)'), n=2.32609, w0=(259000,'J/mol'), E0=(62658.9,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_N-Sp-5R!H-2R!H_1R!H-inRing_Ext-5R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_N-Sp-5R!H-2R!H_1R!H-inRing_Ext-5R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_N-Sp-5R!H-2R!H_1R!H-inRing_Ext-5R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_N-Sp-5R!H-2R!H_1R!H-inRing_Ext-5R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1269, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_N-Sp-5R!H-2R!H_1R!H-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.00394569,'m^3/(mol*s)'), n=2.31104, w0=(259000,'J/mol'), E0=(62503.9,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_N-Sp-5R!H-2R!H_1R!H-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_N-Sp-5R!H-2R!H_1R!H-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_N-Sp-5R!H-2R!H_1R!H-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_N-Sp-5R!H-2R!H_1R!H-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1270, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_N-Sp-5R!H-2R!H_N-1R!H-inRing_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00404,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(77088.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_N-Sp-5R!H-2R!H_N-1R!H-inRing_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_N-Sp-5R!H-2R!H_N-1R!H-inRing_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_N-Sp-5R!H-2R!H_N-1R!H-inRing_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_N-Sp-5R!H-2R!H_N-1R!H-inRing_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1271, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_N-Sp-5R!H-2R!H_N-1R!H-inRing_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00102523,'m^3/(mol*s)'), n=2.66809, w0=(301000,'J/mol'), E0=(70016.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3352484987341052, var=3.6492011336680146, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_N-Sp-5R!H-2R!H_N-1R!H-inRing_N-4R!H-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_N-Sp-5R!H-2R!H_N-1R!H-inRing_N-4R!H-inRing + Total Standard Deviation in ln(k): 4.671954740298554"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_N-Sp-5R!H-2R!H_N-1R!H-inRing_N-4R!H-inRing +Total Standard Deviation in ln(k): 4.671954740298554""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_N-Sp-5R!H-2R!H_N-1R!H-inRing_N-4R!H-inRing +Total Standard Deviation in ln(k): 4.671954740298554 +""", +) + +entry( + index = 1272, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_4R!H-u0_4R!H->C_Sp-4C-1R!H", + kinetics = ArrheniusBM(A=(1.89647e-07,'m^3/(mol*s)'), n=3.72171, w0=(301000,'J/mol'), E0=(61027.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.18652071422452235, var=6.002579723680758, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_4R!H-u0_4R!H->C_Sp-4C-1R!H',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_4R!H-u0_4R!H->C_Sp-4C-1R!H + Total Standard Deviation in ln(k): 5.380278567439931"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_4R!H-u0_4R!H->C_Sp-4C-1R!H +Total Standard Deviation in ln(k): 5.380278567439931""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_4R!H-u0_4R!H->C_Sp-4C-1R!H +Total Standard Deviation in ln(k): 5.380278567439931 +""", +) + +entry( + index = 1273, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_4R!H-u0_4R!H->C_N-Sp-4C-1R!H", + kinetics = ArrheniusBM(A=(0.039,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_4R!H-u0_4R!H->C_N-Sp-4C-1R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_4R!H-u0_4R!H->C_N-Sp-4C-1R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_4R!H-u0_4R!H->C_N-Sp-4C-1R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_4R!H-u0_4R!H->C_N-Sp-4C-1R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1274, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_4R!H-u0_N-4R!H->C_2CO->O", + kinetics = ArrheniusBM(A=(8.04,'m^3/(mol*s)'), n=1.68, w0=(393500,'J/mol'), E0=(67307.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_4R!H-u0_N-4R!H->C_2CO->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_4R!H-u0_N-4R!H->C_2CO->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_4R!H-u0_N-4R!H->C_2CO->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_4R!H-u0_N-4R!H->C_2CO->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1275, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_4R!H-u0_N-4R!H->C_N-2CO->O", + kinetics = ArrheniusBM(A=(0.87784,'m^3/(mol*s)'), n=1.80088, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(303.03,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_4R!H-u0_N-4R!H->C_N-2CO->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_4R!H-u0_N-4R!H->C_N-2CO->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_4R!H-u0_N-4R!H->C_N-2CO->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_4R!H-u0_N-4R!H->C_N-2CO->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1276, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(1.09464e-05,'m^3/(mol*s)'), n=3.3111, w0=(301000,'J/mol'), E0=(52540.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.14649924075551118, var=2.2527006668525327, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R + Total Standard Deviation in ln(k): 3.3769953266724686"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R +Total Standard Deviation in ln(k): 3.3769953266724686""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R +Total Standard Deviation in ln(k): 3.3769953266724686 +""", +) + +entry( + index = 1277, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_4R!H->C", + kinetics = ArrheniusBM(A=(0.00119361,'m^3/(mol*s)'), n=2.80543, w0=(301000,'J/mol'), E0=(56455.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.00036799843620369363, var=0.2996484610087059, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_4R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_4R!H->C + Total Standard Deviation in ln(k): 1.0983197153373214"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_4R!H->C +Total Standard Deviation in ln(k): 1.0983197153373214""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_4R!H->C +Total Standard Deviation in ln(k): 1.0983197153373214 +""", +) + +entry( + index = 1278, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_N-4R!H->C", + kinetics = ArrheniusBM(A=(0.04167,'m^3/(mol*s)'), n=2.299, w0=(301000,'J/mol'), E0=(67767.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_N-4R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_N-4R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_N-4R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_N-4R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1279, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-Sp-2CNO=1CCNNO_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.7134,'m^3/(mol*s)'), n=2.58, w0=(289500,'J/mol'), E0=(28950,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-Sp-2CNO=1CCNNO_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-Sp-2CNO=1CCNNO_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-Sp-2CNO=1CCNNO_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-Sp-2CNO=1CCNNO_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1280, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-Sp-2CNO=1CCNNO_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(6.09454e-05,'m^3/(mol*s)'), n=3.35915, w0=(289500,'J/mol'), E0=(60947.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.14632145191150375, var=7.813168942498318, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-Sp-2CNO=1CCNNO_N-4R!H-inRing',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-Sp-2CNO=1CCNNO_N-4R!H-inRing + Total Standard Deviation in ln(k): 5.97128661601563"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-Sp-2CNO=1CCNNO_N-4R!H-inRing +Total Standard Deviation in ln(k): 5.97128661601563""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-Sp-2CNO=1CCNNO_N-4R!H-inRing +Total Standard Deviation in ln(k): 5.97128661601563 +""", +) + +entry( + index = 1281, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.000434844,'m^3/(mol*s)'), n=2.69573, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.02707501433281414, var=2.1596766314097717, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 7 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 3.0141539260195085"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 3.0141539260195085""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 3.0141539260195085 +""", +) + +entry( + index = 1282, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.00456,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-2R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-2R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1283, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Sp-7R!H-2R!H", + kinetics = ArrheniusBM(A=(0.00362,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Sp-7R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Sp-7R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1284, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_N-Sp-7R!H-2R!H", + kinetics = ArrheniusBM(A=(0.00389,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_N-Sp-7R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_N-Sp-7R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_N-Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_N-Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1285, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.00316,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1286, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(2.20985,'m^3/(mol*s)'), n=1.70922, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0664029613924176, var=1.8045115291425295, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 2.859844504675613"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.859844504675613""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.859844504675613 +""", +) + +entry( + index = 1287, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_N-6R!H-inRing_Sp-9R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00456,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_N-6R!H-inRing_Sp-9R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_N-6R!H-inRing_Sp-9R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_N-6R!H-inRing_Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_N-6R!H-inRing_Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1288, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-9R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00592,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-9R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-9R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1289, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_N-Sp-6R!H=2R!H_N-1R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.00511,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_N-Sp-6R!H=2R!H_N-1R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_N-Sp-6R!H=2R!H_N-1R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_N-Sp-6R!H=2R!H_N-1R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_N-Sp-6R!H=2R!H_N-1R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1290, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing", + kinetics = ArrheniusBM(A=(0.000912696,'m^3/(mol*s)'), n=2.61196, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.019136963281001645, var=0.3924244907959977, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing',), comment="""BM rule fitted to 8 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing + Total Standard Deviation in ln(k): 1.303924931441683"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing +Total Standard Deviation in ln(k): 1.303924931441683""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing +Total Standard Deviation in ln(k): 1.303924931441683 +""", +) + +entry( + index = 1291, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing", + kinetics = ArrheniusBM(A=(10.3209,'m^3/(mol*s)'), n=1.59072, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07763148781039761, var=0.6297289932152231, Tref=1000.0, N=20, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing',), comment="""BM rule fitted to 20 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing + Total Standard Deviation in ln(k): 1.785920845646112"""), + rank = 11, + shortDesc = """BM rule fitted to 20 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing +Total Standard Deviation in ln(k): 1.785920845646112""", + longDesc = +""" +BM rule fitted to 20 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing +Total Standard Deviation in ln(k): 1.785920845646112 +""", +) + +entry( + index = 1292, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.000126909,'m^3/(mol*s)'), n=2.97452, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.05349126827596427, var=0.32043862981010535, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.2692265506164222"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.2692265506164222""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.2692265506164222 +""", +) + +entry( + index = 1293, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(2.24874e-05,'m^3/(mol*s)'), n=3.16107, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07116798174029626, var=0.32042967848494125, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.3136245529703174"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.3136245529703174""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.3136245529703174 +""", +) + +entry( + index = 1294, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.0031832,'m^3/(mol*s)'), n=2.61347, w0=(301000,'J/mol'), E0=(60021.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.016553184597711077, var=0.3012201419477705, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.141860212280989"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.141860212280989""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.141860212280989 +""", +) + +entry( + index = 1295, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.47279,'m^3/(mol*s)'), n=1.95011, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.47554192256585887, var=0.11243556022464109, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.8670449329275507"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.8670449329275507""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.8670449329275507 +""", +) + +entry( + index = 1296, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing_Ext-5R!H-R_Sp-7R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00526,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing_Ext-5R!H-R_Sp-7R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing_Ext-5R!H-R_Sp-7R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing_Ext-5R!H-R_Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing_Ext-5R!H-R_Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1297, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing_Ext-5R!H-R_N-Sp-7R!H=5R!H", + kinetics = ArrheniusBM(A=(0.0058,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing_Ext-5R!H-R_N-Sp-7R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing_Ext-5R!H-R_N-Sp-7R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing_Ext-5R!H-R_N-Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing_Ext-5R!H-R_N-Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1298, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(1604.06,'m^3/(mol*s)'), n=1.01818, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1318835430543961, var=0.6505599713233342, Tref=1000.0, N=15, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H',), comment="""BM rule fitted to 15 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 1.9483308306275924"""), + rank = 11, + shortDesc = """BM rule fitted to 15 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 1.9483308306275924""", + longDesc = +""" +BM rule fitted to 15 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 1.9483308306275924 +""", +) + +entry( + index = 1299, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(1.76797,'m^3/(mol*s)'), n=2.05637, w0=(289500,'J/mol'), E0=(28950,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.03350890677579045, var=4.128033962049096, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H',), comment="""BM rule fitted to 6 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 4.1573265041699"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 4.1573265041699""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 4.1573265041699 +""", +) + +entry( + index = 1300, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H", + kinetics = ArrheniusBM(A=(0.00189858,'m^3/(mol*s)'), n=2.66684, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.024337502622530538, var=0.26493046702301876, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H',), comment="""BM rule fitted to 9 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H + Total Standard Deviation in ln(k): 1.0930146469847366"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H +Total Standard Deviation in ln(k): 1.0930146469847366""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H +Total Standard Deviation in ln(k): 1.0930146469847366 +""", +) + +entry( + index = 1301, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H-1R!H", + kinetics = ArrheniusBM(A=(0.0407783,'m^3/(mol*s)'), n=2.4465, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.03774142242586173, var=0.44560775982356327, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H-1R!H',), comment="""BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H-1R!H + Total Standard Deviation in ln(k): 1.4330657074363373"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H-1R!H +Total Standard Deviation in ln(k): 1.4330657074363373""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H-1R!H +Total Standard Deviation in ln(k): 1.4330657074363373 +""", +) + +entry( + index = 1302, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_N-Sp-2R!H=1R!H_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(4.57939e-06,'m^3/(mol*s)'), n=3.72396, w0=(289500,'J/mol'), E0=(28950,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.3586912073310253, var=2.400781786732707, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_N-Sp-2R!H=1R!H_Ext-5R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_N-Sp-2R!H=1R!H_Ext-5R!H-R + Total Standard Deviation in ln(k): 6.520025025403305"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_N-Sp-2R!H=1R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 6.520025025403305""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_N-Sp-2R!H=1R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 6.520025025403305 +""", +) + +entry( + index = 1303, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Sp-2R!H=1R!H_Ext-5R!H-R_Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(0.0178959,'m^3/(mol*s)'), n=2.73762, w0=(301000,'J/mol'), E0=(66713.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07953789168481924, var=3.8262912911800746, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Sp-2R!H=1R!H_Ext-5R!H-R_Sp-6R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Sp-2R!H=1R!H_Ext-5R!H-R_Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 4.12128782786436"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Sp-2R!H=1R!H_Ext-5R!H-R_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 4.12128782786436""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Sp-2R!H=1R!H_Ext-5R!H-R_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 4.12128782786436 +""", +) + +entry( + index = 1304, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00175488,'m^3/(mol*s)'), n=2.66382, w0=(301000,'J/mol'), E0=(55480,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.754655701396384, var=3.072599588613971, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 7.922749147769218"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 7.922749147769218""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 7.922749147769218 +""", +) + +entry( + index = 1305, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_N-Sp-2R!H=1R!H_Ext-5R!H-R_Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(2.30792e-08,'m^3/(mol*s)'), n=4.26165, w0=(289500,'J/mol'), E0=(28950,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.400859165063142, var=0.1900416865632429, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_N-Sp-2R!H=1R!H_Ext-5R!H-R_Sp-6R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_N-Sp-2R!H=1R!H_Ext-5R!H-R_Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 4.393686263678809"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_N-Sp-2R!H=1R!H_Ext-5R!H-R_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 4.393686263678809""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_N-Sp-2R!H=1R!H_Ext-5R!H-R_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 4.393686263678809 +""", +) + +entry( + index = 1306, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_N-Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(0.111,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(28950,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_N-Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_N-Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_N-Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_N-Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1307, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.0982543,'m^3/(mol*s)'), n=1.7933, w0=(301000,'J/mol'), E0=(76310.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.006164328096136093, var=1.060862374849007, Tref=1000.0, N=22, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R',), comment="""BM rule fitted to 22 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R + Total Standard Deviation in ln(k): 2.08032877518211"""), + rank = 11, + shortDesc = """BM rule fitted to 22 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R +Total Standard Deviation in ln(k): 2.08032877518211""", + longDesc = +""" +BM rule fitted to 22 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R +Total Standard Deviation in ln(k): 2.08032877518211 +""", +) + +entry( + index = 1308, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.0169242,'m^3/(mol*s)'), n=2.13034, w0=(301000,'J/mol'), E0=(76712.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0034032882327518143, var=1.0232567202084992, Tref=1000.0, N=20, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 20 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 2.0364638489048987"""), + rank = 11, + shortDesc = """BM rule fitted to 20 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.0364638489048987""", + longDesc = +""" +BM rule fitted to 20 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.0364638489048987 +""", +) + +entry( + index = 1309, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(0.00124,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(65893,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-1R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-1R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1310, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(10.8041,'m^3/(mol*s)'), n=1.33408, w0=(301000,'J/mol'), E0=(73774,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.033084911155023995, var=1.2907940543206258, Tref=1000.0, N=44, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R',), comment="""BM rule fitted to 44 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R + Total Standard Deviation in ln(k): 2.360769943147554"""), + rank = 11, + shortDesc = """BM rule fitted to 44 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 2.360769943147554""", + longDesc = +""" +BM rule fitted to 44 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 2.360769943147554 +""", +) + +entry( + index = 1311, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.614609,'m^3/(mol*s)'), n=1.80745, w0=(301000,'J/mol'), E0=(73901.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.021091127777365545, var=1.3434216077814098, Tref=1000.0, N=40, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R',), comment="""BM rule fitted to 40 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R + Total Standard Deviation in ln(k): 2.376602340292742"""), + rank = 11, + shortDesc = """BM rule fitted to 40 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.376602340292742""", + longDesc = +""" +BM rule fitted to 40 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.376602340292742 +""", +) + +entry( + index = 1312, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(1.38745,'m^3/(mol*s)'), n=1.67165, w0=(301000,'J/mol'), E0=(63224.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.003187514112077065, var=0.24674586235947282, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.003831315986208"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.003831315986208""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.003831315986208 +""", +) + +entry( + index = 1313, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing", + kinetics = ArrheniusBM(A=(0.00366677,'m^3/(mol*s)'), n=2.36602, w0=(301000,'J/mol'), E0=(75175.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.010138494580109753, var=0.43544704843246834, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing + Total Standard Deviation in ln(k): 1.3483664416939016"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing +Total Standard Deviation in ln(k): 1.3483664416939016""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing +Total Standard Deviation in ln(k): 1.3483664416939016 +""", +) + +entry( + index = 1314, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing", + kinetics = ArrheniusBM(A=(1.14307e-24,'m^3/(mol*s)'), n=8.71898, w0=(298043,'J/mol'), E0=(13802.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4630606139912776, var=2.5422097011470566, Tref=1000.0, N=35, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing',), comment="""BM rule fitted to 35 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing + Total Standard Deviation in ln(k): 4.359880311295744"""), + rank = 11, + shortDesc = """BM rule fitted to 35 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing +Total Standard Deviation in ln(k): 4.359880311295744""", + longDesc = +""" +BM rule fitted to 35 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing +Total Standard Deviation in ln(k): 4.359880311295744 +""", +) + +entry( + index = 1315, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing", + kinetics = ArrheniusBM(A=(0.00618784,'m^3/(mol*s)'), n=2.18457, w0=(301000,'J/mol'), E0=(74365.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.016504640508980352, var=0.3298126259066458, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing + Total Standard Deviation in ln(k): 1.1927745750942849"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing +Total Standard Deviation in ln(k): 1.1927745750942849""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing +Total Standard Deviation in ln(k): 1.1927745750942849 +""", +) + +entry( + index = 1316, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing", + kinetics = ArrheniusBM(A=(5.44328e-08,'m^3/(mol*s)'), n=3.83422, w0=(298043,'J/mol'), E0=(58284,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3705595133218523, var=2.8872282910068003, Tref=1000.0, N=35, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing',), comment="""BM rule fitted to 35 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing + Total Standard Deviation in ln(k): 4.3374690159781375"""), + rank = 11, + shortDesc = """BM rule fitted to 35 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing +Total Standard Deviation in ln(k): 4.3374690159781375""", + longDesc = +""" +BM rule fitted to 35 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing +Total Standard Deviation in ln(k): 4.3374690159781375 +""", +) + +entry( + index = 1317, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.00207,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(73903.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1318, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(0.000369641,'m^3/(mol*s)'), n=2.76415, w0=(301000,'J/mol'), E0=(66487.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04236424243871191, var=0.12445231443960326, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 0.8136692432487754"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 0.8136692432487754""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 0.8136692432487754 +""", +) + +entry( + index = 1319, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(0.0220916,'m^3/(mol*s)'), n=2.35772, w0=(289500,'J/mol'), E0=(77845.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=4.0429735994569396e-05, var=16.259915160632623, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 8.083912133732198"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 8.083912133732198""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 8.083912133732198 +""", +) + +entry( + index = 1320, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.00016616,'m^3/(mol*s)'), n=2.41591, w0=(301000,'J/mol'), E0=(69142.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.05759478187445569, var=0.86955608421993, Tref=1000.0, N=20, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R',), comment="""BM rule fitted to 20 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 2.0141257886911346"""), + rank = 11, + shortDesc = """BM rule fitted to 20 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.0141257886911346""", + longDesc = +""" +BM rule fitted to 20 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.0141257886911346 +""", +) + +entry( + index = 1321, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(7.93e-05,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(58267.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-1R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-1R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-1R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-1R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1322, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(8.16827e-08,'m^3/(mol*s)'), n=3.33994, w0=(301000,'J/mol'), E0=(52859.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.13426329859034686, var=1.2623674514380383, Tref=1000.0, N=40, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R',), comment="""BM rule fitted to 40 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 2.5897676091980903"""), + rank = 11, + shortDesc = """BM rule fitted to 40 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.5897676091980903""", + longDesc = +""" +BM rule fitted to 40 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.5897676091980903 +""", +) + +entry( + index = 1323, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(0.00654815,'m^3/(mol*s)'), n=1.89939, w0=(301000,'J/mol'), E0=(60757,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.00107064544789996, var=5.315865760218342, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-1R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-1R!H-R + Total Standard Deviation in ln(k): 4.624839604017286"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-1R!H-R +Total Standard Deviation in ln(k): 4.624839604017286""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-1R!H-R +Total Standard Deviation in ln(k): 4.624839604017286 +""", +) + +entry( + index = 1324, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(7.21e-05,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(58269.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1325, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(9.75e-05,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(47763.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1326, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00170912,'m^3/(mol*s)'), n=2.24742, w0=(301000,'J/mol'), E0=(63507.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.05600889256951681, var=0.9509899926947845, Tref=1000.0, N=44, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H',), comment="""BM rule fitted to 44 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 2.0957177629489143"""), + rank = 11, + shortDesc = """BM rule fitted to 44 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 2.0957177629489143""", + longDesc = +""" +BM rule fitted to 44 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 2.0957177629489143 +""", +) + +entry( + index = 1327, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(2.35003e-07,'m^3/(mol*s)'), n=3.32771, w0=(301000,'J/mol'), E0=(45934.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.14480314374914582, var=1.3673952376492235, Tref=1000.0, N=88, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 88 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 2.7080775138118534"""), + rank = 11, + shortDesc = """BM rule fitted to 88 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 2.7080775138118534""", + longDesc = +""" +BM rule fitted to 88 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 2.7080775138118534 +""", +) + +entry( + index = 1328, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(7.13741e-18,'m^3/(mol*s)'), n=6.43827, w0=(298476,'J/mol'), E0=(27517,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.37315260420107954, var=1.6711306090943918, Tref=1000.0, N=41, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R',), comment="""BM rule fitted to 41 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 3.5291348370341034"""), + rank = 11, + shortDesc = """BM rule fitted to 41 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.5291348370341034""", + longDesc = +""" +BM rule fitted to 41 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.5291348370341034 +""", +) + +entry( + index = 1329, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(5.20672e-24,'m^3/(mol*s)'), n=8.1724, w0=(301000,'J/mol'), E0=(9907.45,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.5627298526641449, var=5.578975428276592, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-2R!H=1R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 6.149049254941946"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 6.149049254941946""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 6.149049254941946 +""", +) + +entry( + index = 1330, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(0.131236,'m^3/(mol*s)'), n=1.94952, w0=(289500,'J/mol'), E0=(77649.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.01855940886816443, var=2.1682567250600244, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 2.9986044054213497"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 2.9986044054213497""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 2.9986044054213497 +""", +) + +entry( + index = 1331, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(4.52363e-15,'m^3/(mol*s)'), n=5.61388, w0=(298476,'J/mol'), E0=(24616.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.323821841648136, var=1.7048364184344968, Tref=1000.0, N=82, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R',), comment="""BM rule fitted to 82 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 3.431192970318373"""), + rank = 11, + shortDesc = """BM rule fitted to 82 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.431192970318373""", + longDesc = +""" +BM rule fitted to 82 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.431192970318373 +""", +) + +entry( + index = 1332, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(3.80513e-21,'m^3/(mol*s)'), n=7.30543, w0=(301000,'J/mol'), E0=(-568.054,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6037644993883541, var=0.5406483166425329, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 2.991053703027848"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 2.991053703027848""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 2.991053703027848 +""", +) + +entry( + index = 1333, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(0.000595988,'m^3/(mol*s)'), n=2.5922, w0=(289500,'J/mol'), E0=(63800.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08469755075588116, var=2.0043994045833315, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 3.0510479528548005"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 3.0510479528548005""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 3.0510479528548005 +""", +) + +entry( + index = 1334, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.000388,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(65937.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1335, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(0.000388724,'m^3/(mol*s)'), n=2.57231, w0=(301000,'J/mol'), E0=(61593.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.034438175923333904, var=0.04038144228005984, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 0.48938228650340704"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 0.48938228650340704""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 0.48938228650340704 +""", +) + +entry( + index = 1336, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(0.0150818,'m^3/(mol*s)'), n=2.21492, w0=(289500,'J/mol'), E0=(75146.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.00011962076021041789, var=16.253601770843915, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 8.082541565307682"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 8.082541565307682""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 8.082541565307682 +""", +) + +entry( + index = 1337, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(1.1578e-15,'m^3/(mol*s)'), n=5.70463, w0=(301000,'J/mol'), E0=(10591.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.027974498737322308, var=2.894986262987741, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 3.4812760898757116"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.4812760898757116""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.4812760898757116 +""", +) + +entry( + index = 1338, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000148,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(58983.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1339, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0002,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(50406.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1340, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(8.35102e-07,'m^3/(mol*s)'), n=3.30748, w0=(301000,'J/mol'), E0=(43907.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.11343669495181558, var=0.47251755972172205, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 1.6630699634393056"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 1.6630699634393056""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 1.6630699634393056 +""", +) + +entry( + index = 1341, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(3.23604e-14,'m^3/(mol*s)'), n=5.48685, w0=(289500,'J/mol'), E0=(13046.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1439033821701968, var=6.73636162713433, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 5.564756300577853"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 5.564756300577853""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 5.564756300577853 +""", +) + +entry( + index = 1342, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000509,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(46916.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1343, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000687,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(37097.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1344, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_4R!H-inRing_Sp-8R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000404,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(49376.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_4R!H-inRing_Sp-8R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_4R!H-inRing_Sp-8R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_4R!H-inRing_Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_4R!H-inRing_Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1345, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_4R!H-inRing_N-Sp-8R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000435,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(54020,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_4R!H-inRing_N-Sp-8R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_4R!H-inRing_N-Sp-8R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_4R!H-inRing_N-Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_4R!H-inRing_N-Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1346, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_N-4R!H-inRing_Sp-8R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000546,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(39595.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_N-4R!H-inRing_Sp-8R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_N-4R!H-inRing_Sp-8R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_N-4R!H-inRing_Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_N-4R!H-inRing_Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1347, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_N-4R!H-inRing_N-Sp-8R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000588,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(44230.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_N-4R!H-inRing_N-Sp-8R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_N-4R!H-inRing_N-Sp-8R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_N-4R!H-inRing_N-Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_N-4R!H-inRing_N-Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1348, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(1.06103e-05,'m^3/(mol*s)'), n=3.00149, w0=(301000,'J/mol'), E0=(73417.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.05224636716850317, var=0.7571756391496562, Tref=1000.0, N=20, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R',), comment="""BM rule fitted to 20 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 1.8757093444512043"""), + rank = 11, + shortDesc = """BM rule fitted to 20 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.8757093444512043""", + longDesc = +""" +BM rule fitted to 20 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.8757093444512043 +""", +) + +entry( + index = 1349, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(0.000613,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(70096.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-1R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-1R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-1R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-1R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1350, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(1.89995e-26,'m^3/(mol*s)'), n=9.11777, w0=(297182,'J/mol'), E0=(4834.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.520753495710555, var=0.9030564925362434, Tref=1000.0, N=44, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R',), comment="""BM rule fitted to 44 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 3.213511270135736"""), + rank = 11, + shortDesc = """BM rule fitted to 44 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.213511270135736""", + longDesc = +""" +BM rule fitted to 44 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.213511270135736 +""", +) + +entry( + index = 1351, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(5.64835e-05,'m^3/(mol*s)'), n=2.69239, w0=(301000,'J/mol'), E0=(66720.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0004266615992246702, var=0.33983995059567085, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-1R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-1R!H-R + Total Standard Deviation in ln(k): 1.1697482291898866"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-1R!H-R +Total Standard Deviation in ln(k): 1.1697482291898866""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-1R!H-R +Total Standard Deviation in ln(k): 1.1697482291898866 +""", +) + +entry( + index = 1352, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000451,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(64884.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1353, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000382,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(66798.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1354, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(2.82187e-05,'m^3/(mol*s)'), n=2.99872, w0=(301000,'J/mol'), E0=(66799.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0625514463397523, var=0.8547345460426143, Tref=1000.0, N=44, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H',), comment="""BM rule fitted to 44 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 2.0105792014008617"""), + rank = 11, + shortDesc = """BM rule fitted to 44 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 2.0105792014008617""", + longDesc = +""" +BM rule fitted to 44 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 2.0105792014008617 +""", +) + +entry( + index = 1355, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(1.1451e-06,'m^3/(mol*s)'), n=3.32886, w0=(301000,'J/mol'), E0=(57779.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07203774081656669, var=0.7708245513863565, Tref=1000.0, N=88, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 88 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 1.9410888759977276"""), + rank = 11, + shortDesc = """BM rule fitted to 88 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.9410888759977276""", + longDesc = +""" +BM rule fitted to 88 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.9410888759977276 +""", +) + +entry( + index = 1356, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(8.57216e-14,'m^3/(mol*s)'), n=5.527, w0=(301592,'J/mol'), E0=(46602.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.7434006673799315, var=1.148572326974769, Tref=1000.0, N=38, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H',), comment="""BM rule fitted to 38 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 4.016344858250006"""), + rank = 11, + shortDesc = """BM rule fitted to 38 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 4.016344858250006""", + longDesc = +""" +BM rule fitted to 38 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 4.016344858250006 +""", +) + +entry( + index = 1357, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(5.97107e-14,'m^3/(mol*s)'), n=5.44506, w0=(301000,'J/mol'), E0=(36734.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2495062004275875, var=0.8522585246579332, Tref=1000.0, N=72, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 72 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 2.4776283029545816"""), + rank = 11, + shortDesc = """BM rule fitted to 72 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 2.4776283029545816""", + longDesc = +""" +BM rule fitted to 72 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 2.4776283029545816 +""", +) + +entry( + index = 1358, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_Sp-5R!H=4R!H_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(4.63456e-23,'m^3/(mol*s)'), n=8.11112, w0=(289500,'J/mol'), E0=(9279.73,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.008415630793842922, var=6.309846146727053, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_Sp-5R!H=4R!H_Ext-7R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_Sp-5R!H=4R!H_Ext-7R!H-R + Total Standard Deviation in ln(k): 5.056920461114073"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_Sp-5R!H=4R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 5.056920461114073""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_Sp-5R!H=4R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 5.056920461114073 +""", +) + +entry( + index = 1359, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(1.51584e-18,'m^3/(mol*s)'), n=6.75458, w0=(289500,'J/mol'), E0=(11073.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.411675420289907, var=0.8382517471000291, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R + Total Standard Deviation in ln(k): 2.8698173883233515"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 2.8698173883233515""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 2.8698173883233515 +""", +) + +entry( + index = 1360, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00541,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(77486.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1361, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00458,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(84741.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1362, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00196,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(68343.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1363, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00166,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(69914.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1364, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(0.000259759,'m^3/(mol*s)'), n=2.86746, w0=(301000,'J/mol'), E0=(67492.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.018485989095777016, var=0.010825406073191267, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 0.255030294269832"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 0.255030294269832""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 0.255030294269832 +""", +) + +entry( + index = 1365, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(0.00352513,'m^3/(mol*s)'), n=2.64283, w0=(289500,'J/mol'), E0=(78278.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.00011241816561257452, var=16.317612908333754, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 8.098422869542873"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 8.098422869542873""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 8.098422869542873 +""", +) + +entry( + index = 1366, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(0.000747132,'m^3/(mol*s)'), n=2.66641, w0=(301000,'J/mol'), E0=(61062.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.008986797244798823, var=0.06720393032359431, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 0.5422818180244127"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 0.5422818180244127""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 0.5422818180244127 +""", +) + +entry( + index = 1367, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(1.6931e-14,'m^3/(mol*s)'), n=5.77674, w0=(289500,'J/mol'), E0=(30622.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1511622201951635, var=6.346884524665858, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 5.4303384421291545"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 5.4303384421291545""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 5.4303384421291545 +""", +) + +entry( + index = 1368, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.000727198,'m^3/(mol*s)'), n=2.67748, w0=(301000,'J/mol'), E0=(62836.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0019417322159918573, var=0.3925437327368045, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_Sp-5R!H=4R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 1.2609116186241804"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.2609116186241804""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.2609116186241804 +""", +) + +entry( + index = 1369, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(3.2751e-05,'m^3/(mol*s)'), n=2.99823, w0=(301000,'J/mol'), E0=(54406,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.013561480991730348, var=0.2554391878766562, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 1.0472870692042655"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.0472870692042655""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.0472870692042655 +""", +) + +entry( + index = 1370, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_N-Sp-2R!H=1R!H_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0327,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(73070.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_N-Sp-2R!H=1R!H_Sp-5R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_N-Sp-2R!H=1R!H_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_N-Sp-2R!H=1R!H_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_N-Sp-2R!H=1R!H_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1371, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(1.12269e-05,'m^3/(mol*s)'), n=3.37172, w0=(289500,'J/mol'), E0=(65950,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.016349110192567455, var=2.2865216588519637, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 3.0724879587174816"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 3.0724879587174816""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 3.0724879587174816 +""", +) + +entry( + index = 1372, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(8.36618e-05,'m^3/(mol*s)'), n=3.11287, w0=(289500,'J/mol'), E0=(77553.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.028789973808812194, var=0.6209201932523324, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 1.652037575170524"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 1.652037575170524""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 1.652037575170524 +""", +) + +entry( + index = 1373, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(4.09707e-15,'m^3/(mol*s)'), n=6.11698, w0=(289500,'J/mol'), E0=(11111.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.123282811389233, var=4.688939893296898, Tref=1000.0, N=13, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 13 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 7.163363965375092"""), + rank = 11, + shortDesc = """BM rule fitted to 13 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 7.163363965375092""", + longDesc = +""" +BM rule fitted to 13 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 7.163363965375092 +""", +) + +entry( + index = 1374, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0156978,'m^3/(mol*s)'), n=2.46979, w0=(289500,'J/mol'), E0=(70955.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.0013111629481313, var=3.192506139889428, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 6.097834746758874"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 6.097834746758874""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 6.097834746758874 +""", +) + +entry( + index = 1375, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.000839399,'m^3/(mol*s)'), n=3.13372, w0=(289500,'J/mol'), E0=(66564.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.0001055358017839, var=4.002152899030729, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 6.523376987094174"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 6.523376987094174""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 6.523376987094174 +""", +) + +entry( + index = 1376, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00460243,'m^3/(mol*s)'), n=2.67523, w0=(289500,'J/mol'), E0=(81094.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.006034667107275083, var=0.04267056093857915, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 0.42927767441231257"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 0.42927767441231257""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 0.42927767441231257 +""", +) + +entry( + index = 1377, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.000714191,'m^3/(mol*s)'), n=2.99882, w0=(289500,'J/mol'), E0=(76217,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.004483809900233706, var=0.0337596467171366, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 0.37961183533741416"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 0.37961183533741416""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 0.37961183533741416 +""", +) + +entry( + index = 1378, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-4R!H-inRing_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.146,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(79007.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-4R!H-inRing_Sp-5R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-4R!H-inRing_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-4R!H-inRing_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-4R!H-inRing_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1379, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-4R!H-inRing_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(2.5575e-05,'m^3/(mol*s)'), n=3.2819, w0=(289500,'J/mol'), E0=(67939.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.0183409133948922, var=2.356296142231676, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-4R!H-inRing_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-4R!H-inRing_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 5.635960310950187"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-4R!H-inRing_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 5.635960310950187""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-4R!H-inRing_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 5.635960310950187 +""", +) + +entry( + index = 1380, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H=4R!H_Ext-5R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00200796,'m^3/(mol*s)'), n=2.79249, w0=(289500,'J/mol'), E0=(69515.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0007871984990119682, var=0.4701993560527545, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H=4R!H_Ext-5R!H-R_4R!H-inRing',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H=4R!H_Ext-5R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 1.3766464595137364"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H=4R!H_Ext-5R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 1.3766464595137364""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H=4R!H_Ext-5R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 1.3766464595137364 +""", +) + +entry( + index = 1381, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H=4R!H_Ext-5R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(1.1954,'m^3/(mol*s)'), n=1.905, w0=(289500,'J/mol'), E0=(70700.8,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H=4R!H_Ext-5R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H=4R!H_Ext-5R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H=4R!H_Ext-5R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H=4R!H_Ext-5R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1382, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_N-Sp-4R!H-3R_N-5R!H-inRing_Ext-5R!H-R_Sp-6R!H-5R!H", + kinetics = ArrheniusBM(A=(0.620281,'m^3/(mol*s)'), n=1.929, w0=(289500,'J/mol'), E0=(100279,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_N-Sp-4R!H-3R_N-5R!H-inRing_Ext-5R!H-R_Sp-6R!H-5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_N-Sp-4R!H-3R_N-5R!H-inRing_Ext-5R!H-R_Sp-6R!H-5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_N-Sp-4R!H-3R_N-5R!H-inRing_Ext-5R!H-R_Sp-6R!H-5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_N-Sp-4R!H-3R_N-5R!H-inRing_Ext-5R!H-R_Sp-6R!H-5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1383, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_N-Sp-4R!H-3R_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H-5R!H", + kinetics = ArrheniusBM(A=(1.19841,'m^3/(mol*s)'), n=1.935, w0=(289500,'J/mol'), E0=(55455.5,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_N-Sp-4R!H-3R_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H-5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_N-Sp-4R!H-3R_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H-5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_N-Sp-4R!H-3R_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H-5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_N-Sp-4R!H-3R_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H-5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1384, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(4.24376e-24,'m^3/(mol*s)'), n=8.4997, w0=(297769,'J/mol'), E0=(13032.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.48762734064972146, var=1.2289772904342002, Tref=1000.0, N=65, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 65 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 3.4476285577969032"""), + rank = 11, + shortDesc = """BM rule fitted to 65 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.4476285577969032""", + longDesc = +""" +BM rule fitted to 65 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.4476285577969032 +""", +) + +entry( + index = 1385, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(0.000272436,'m^3/(mol*s)'), n=2.69661, w0=(301000,'J/mol'), E0=(72935.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.025560321593203365, var=0.13370562297357497, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-1R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-1R!H-R + Total Standard Deviation in ln(k): 0.7972689213160832"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 0.7972689213160832""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 0.7972689213160832 +""", +) + +entry( + index = 1386, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00395,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(74096.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Sp-5R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1387, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(2.41087e-06,'m^3/(mol*s)'), n=3.28143, w0=(301000,'J/mol'), E0=(65588.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0002584264902117783, var=0.06725275690315669, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.520539996990955"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.520539996990955""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.520539996990955 +""", +) + +entry( + index = 1388, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(4.09314e-08,'m^3/(mol*s)'), n=3.85575, w0=(301000,'J/mol'), E0=(58600.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06007758812819518, var=2.758017309095296, Tref=1000.0, N=134, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R',), comment="""BM rule fitted to 134 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R + Total Standard Deviation in ln(k): 3.480268280321335"""), + rank = 11, + shortDesc = """BM rule fitted to 134 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 3.480268280321335""", + longDesc = +""" +BM rule fitted to 134 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 3.480268280321335 +""", +) + +entry( + index = 1389, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C", + kinetics = ArrheniusBM(A=(1.55452e-20,'m^3/(mol*s)'), n=7.45367, w0=(301000,'J/mol'), E0=(22648.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3526974465421453, var=2.566523837383988, Tref=1000.0, N=115, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C',), comment="""BM rule fitted to 115 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C + Total Standard Deviation in ln(k): 4.097835063871785"""), + rank = 11, + shortDesc = """BM rule fitted to 115 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C +Total Standard Deviation in ln(k): 4.097835063871785""", + longDesc = +""" +BM rule fitted to 115 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C +Total Standard Deviation in ln(k): 4.097835063871785 +""", +) + +entry( + index = 1390, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_N-3R->C", + kinetics = ArrheniusBM(A=(9.46e-06,'m^3/(mol*s)'), n=3.08, w0=(264000,'J/mol'), E0=(-7180.18,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_N-3R->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_N-3R->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_N-3R->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_N-3R->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1391, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_6R!H-inRing", + kinetics = ArrheniusBM(A=(0.000236006,'m^3/(mol*s)'), n=2.7878, w0=(301000,'J/mol'), E0=(30100,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_6R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_6R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_6R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_6R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1392, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing", + kinetics = ArrheniusBM(A=(2.58105e-05,'m^3/(mol*s)'), n=2.82902, w0=(301000,'J/mol'), E0=(64039.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.02205558938065028, var=1.4137360272811772, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing + Total Standard Deviation in ln(k): 2.4390587292185715"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing +Total Standard Deviation in ln(k): 2.4390587292185715""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing +Total Standard Deviation in ln(k): 2.4390587292185715 +""", +) + +entry( + index = 1393, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_N-2R!H->O_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(3.70776e-06,'m^3/(mol*s)'), n=3.19111, w0=(301000,'J/mol'), E0=(64124.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.005435012750340193, var=0.032891721596352785, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_N-2R!H->O_Ext-5R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_N-2R!H->O_Ext-5R!H-R + Total Standard Deviation in ln(k): 0.3772360678736673"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_N-2R!H->O_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.3772360678736673""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_N-2R!H->O_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.3772360678736673 +""", +) + +entry( + index = 1394, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.0810119,'m^3/(mol*s)'), n=2.23753, w0=(301000,'J/mol'), E0=(73031.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.054409102535800336, var=0.8777657977779818, Tref=1000.0, N=22, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 22 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 2.0149256645838713"""), + rank = 11, + shortDesc = """BM rule fitted to 22 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 2.0149256645838713""", + longDesc = +""" +BM rule fitted to 22 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 2.0149256645838713 +""", +) + +entry( + index = 1395, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.000209626,'m^3/(mol*s)'), n=2.87742, w0=(301000,'J/mol'), E0=(64114.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.6899195615746742, var=1.9636983760588165, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Sp-5R!H=4R!H',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 4.542742047023821"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 4.542742047023821""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 4.542742047023821 +""", +) + +entry( + index = 1396, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(6.53573e-06,'m^3/(mol*s)'), n=3.3724, w0=(301000,'J/mol'), E0=(57220.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.24839040768484144, var=0.27778184598753825, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 1.680692397152343"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.680692397152343""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.680692397152343 +""", +) + +entry( + index = 1397, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_N-2R!H->O_Sp-5R!H#4R!H", + kinetics = ArrheniusBM(A=(0.00946,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(62265.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_N-2R!H->O_Sp-5R!H#4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_N-2R!H->O_Sp-5R!H#4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_N-2R!H->O_Sp-5R!H#4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_N-2R!H->O_Sp-5R!H#4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1398, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_N-2R!H->O_N-Sp-5R!H#4R!H", + kinetics = ArrheniusBM(A=(3.02448e-07,'m^3/(mol*s)'), n=3.80085, w0=(301000,'J/mol'), E0=(62780.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.758586188541825, var=1.76768604971854, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_N-2R!H->O_N-Sp-5R!H#4R!H',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_N-2R!H->O_N-Sp-5R!H#4R!H + Total Standard Deviation in ln(k): 4.571378038978246"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_N-2R!H->O_N-Sp-5R!H#4R!H +Total Standard Deviation in ln(k): 4.571378038978246""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_N-2R!H->O_N-Sp-5R!H#4R!H +Total Standard Deviation in ln(k): 4.571378038978246 +""", +) + +entry( + index = 1399, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(2.47295e-17,'m^3/(mol*s)'), n=6.46157, w0=(296532,'J/mol'), E0=(20251.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2565983500835275, var=1.034830162268237, Tref=1000.0, N=47, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 47 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 2.68406835262849"""), + rank = 11, + shortDesc = """BM rule fitted to 47 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 2.68406835262849""", + longDesc = +""" +BM rule fitted to 47 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 2.68406835262849 +""", +) + +entry( + index = 1400, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(2.02492e-17,'m^3/(mol*s)'), n=6.18101, w0=(301000,'J/mol'), E0=(-2536.61,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.35732254697569504, var=0.3052829993520272, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R + Total Standard Deviation in ln(k): 2.0054600030986416"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 2.0054600030986416""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 2.0054600030986416 +""", +) + +entry( + index = 1401, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(2.38904e-14,'m^3/(mol*s)'), n=5.33153, w0=(301000,'J/mol'), E0=(2949.54,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4694027938568778, var=0.8560660110442283, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-2R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-2R!H-R + Total Standard Deviation in ln(k): 3.034261787155613"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.034261787155613""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.034261787155613 +""", +) + +entry( + index = 1402, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(7.81685e-07,'m^3/(mol*s)'), n=3.18923, w0=(301000,'J/mol'), E0=(51362.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.19695457381025971, var=0.6582619370345953, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-3R-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-3R-R + Total Standard Deviation in ln(k): 2.12136932776413"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 2.12136932776413""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 2.12136932776413 +""", +) + +entry( + index = 1403, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Sp-6R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000382,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(64964.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Sp-6R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Sp-6R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1404, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(4.32016e-05,'m^3/(mol*s)'), n=2.69682, w0=(301000,'J/mol'), E0=(55959.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.023468745646835844, var=2.063050119329765, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_Ext-3R-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_Ext-3R-R + Total Standard Deviation in ln(k): 2.938432193285"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 2.938432193285""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 2.938432193285 +""", +) + +entry( + index = 1405, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-3R-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.000226,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(47111.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-3R-R_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-3R-R_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1406, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.0161773,'m^3/(mol*s)'), n=2.10503, w0=(301000,'J/mol'), E0=(59646.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.02568093831374969, var=1.2063885982902203, Tref=1000.0, N=84, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 84 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 2.2664402312845535"""), + rank = 11, + shortDesc = """BM rule fitted to 84 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 2.2664402312845535""", + longDesc = +""" +BM rule fitted to 84 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 2.2664402312845535 +""", +) + +entry( + index = 1407, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(2.66247e-13,'m^3/(mol*s)'), n=5.13074, w0=(301000,'J/mol'), E0=(7358.99,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2526916053670327, var=0.2627520137680128, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R + Total Standard Deviation in ln(k): 1.6625175396902492"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.6625175396902492""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.6625175396902492 +""", +) + +entry( + index = 1408, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(7.83121e-14,'m^3/(mol*s)'), n=5.24794, w0=(301000,'J/mol'), E0=(10255.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.263741731221671, var=0.2174288113406762, Tref=1000.0, N=16, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R',), comment="""BM rule fitted to 16 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R + Total Standard Deviation in ln(k): 1.5974608463583342"""), + rank = 11, + shortDesc = """BM rule fitted to 16 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 1.5974608463583342""", + longDesc = +""" +BM rule fitted to 16 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 1.5974608463583342 +""", +) + +entry( + index = 1409, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000319875,'m^3/(mol*s)'), n=2.58777, w0=(301000,'J/mol'), E0=(58472.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.021234747105428952, var=0.21954013487155485, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H + Total Standard Deviation in ln(k): 0.9926744650029284"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 0.9926744650029284""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 0.9926744650029284 +""", +) + +entry( + index = 1410, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H", + kinetics = ArrheniusBM(A=(2.53764e-05,'m^3/(mol*s)'), n=2.96527, w0=(301000,'J/mol'), E0=(66258.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.021807802804848703, var=0.41829522500661426, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H + Total Standard Deviation in ln(k): 1.351370861068736"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 1.351370861068736""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 1.351370861068736 +""", +) + +entry( + index = 1411, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C_Ext-3C-R", + kinetics = ArrheniusBM(A=(8.02491e-05,'m^3/(mol*s)'), n=2.7454, w0=(301000,'J/mol'), E0=(47826.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06282676177208889, var=0.4799974601156383, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C_Ext-3C-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C_Ext-3C-R + Total Standard Deviation in ln(k): 1.5467737145702984"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C_Ext-3C-R +Total Standard Deviation in ln(k): 1.5467737145702984""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C_Ext-3C-R +Total Standard Deviation in ln(k): 1.5467737145702984 +""", +) + +entry( + index = 1412, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.00115489,'m^3/(mol*s)'), n=2.43697, w0=(301000,'J/mol'), E0=(61729.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.007647097195589419, var=0.1720162679365905, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C_Ext-5R!H-R + Total Standard Deviation in ln(k): 0.8506745566925177"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.8506745566925177""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.8506745566925177 +""", +) + +entry( + index = 1413, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R", + kinetics = ArrheniusBM(A=(7.53163e-10,'m^3/(mol*s)'), n=4.1322, w0=(301000,'J/mol'), E0=(16768.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.16325130028187906, var=0.2666846678107603, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R + Total Standard Deviation in ln(k): 1.4454548298837648"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R +Total Standard Deviation in ln(k): 1.4454548298837648""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R +Total Standard Deviation in ln(k): 1.4454548298837648 +""", +) + +entry( + index = 1414, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R", + kinetics = ArrheniusBM(A=(2.00229e-09,'m^3/(mol*s)'), n=3.90159, w0=(301000,'J/mol'), E0=(18284.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08047643303391824, var=0.3312226441220252, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R + Total Standard Deviation in ln(k): 1.3559661340200786"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R +Total Standard Deviation in ln(k): 1.3559661340200786""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R +Total Standard Deviation in ln(k): 1.3559661340200786 +""", +) + +entry( + index = 1415, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.00354201,'m^3/(mol*s)'), n=2.40513, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.00046113170740081256, var=0.21362115553586133, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R + Total Standard Deviation in ln(k): 0.9277305097978525"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 0.9277305097978525""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 0.9277305097978525 +""", +) + +entry( + index = 1416, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(5.11401e-06,'m^3/(mol*s)'), n=3.27867, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.8982458537355109, var=0.11664410352458109, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 2.941580300170796"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 2.941580300170796""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 2.941580300170796 +""", +) + +entry( + index = 1417, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-3R-R_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.000775,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30980.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-3R-R_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-3R-R_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-3R-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-3R-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1418, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-3R-R_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.000906,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(32046,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-3R-R_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-3R-R_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-3R-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-3R-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1419, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_Sp-10R!H=5R!H_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00102,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(29872.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_Sp-10R!H=5R!H_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_Sp-10R!H=5R!H_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_Sp-10R!H=5R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_Sp-10R!H=5R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1420, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_Sp-10R!H=5R!H_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00119,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30980.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_Sp-10R!H=5R!H_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_Sp-10R!H=5R!H_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_Sp-10R!H=5R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_Sp-10R!H=5R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1421, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(7.23895e-11,'m^3/(mol*s)'), n=4.44548, w0=(301000,'J/mol'), E0=(13780.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.023148846941856017, var=1.168152311900874, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_Sp-8R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 2.224902557608265"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 2.224902557608265""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 2.224902557608265 +""", +) + +entry( + index = 1422, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_N-Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(1.31641e-09,'m^3/(mol*s)'), n=4.08408, w0=(301000,'J/mol'), E0=(9450.71,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.13196753467636005, var=3.5133196109506226, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_N-Sp-8R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_N-Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 4.089222336481626"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 4.089222336481626""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 4.089222336481626 +""", +) + +entry( + index = 1423, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Sp-8R!H=5R!H_Sp-6R!H-2C", + kinetics = ArrheniusBM(A=(0.00108,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(46837.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Sp-8R!H=5R!H_Sp-6R!H-2C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Sp-8R!H=5R!H_Sp-6R!H-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Sp-8R!H=5R!H_Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Sp-8R!H=5R!H_Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1424, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Sp-8R!H=5R!H_N-Sp-6R!H-2C", + kinetics = ArrheniusBM(A=(0.00116,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(53678.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Sp-8R!H=5R!H_N-Sp-6R!H-2C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Sp-8R!H=5R!H_N-Sp-6R!H-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Sp-8R!H=5R!H_N-Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Sp-8R!H=5R!H_N-Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1425, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_N-Sp-8R!H=5R!H_Sp-6R!H-2C", + kinetics = ArrheniusBM(A=(0.00119,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(47991.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_N-Sp-8R!H=5R!H_Sp-6R!H-2C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_N-Sp-8R!H=5R!H_Sp-6R!H-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_N-Sp-8R!H=5R!H_Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_N-Sp-8R!H=5R!H_Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1426, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_N-Sp-8R!H=5R!H_N-Sp-6R!H-2C", + kinetics = ArrheniusBM(A=(0.00128,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(61692.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_N-Sp-8R!H=5R!H_N-Sp-6R!H-2C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_N-Sp-8R!H=5R!H_N-Sp-6R!H-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_N-Sp-8R!H=5R!H_N-Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_N-Sp-8R!H=5R!H_N-Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1427, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.000282512,'m^3/(mol*s)'), n=2.63782, w0=(301000,'J/mol'), E0=(35801.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.003872827428191276, var=2.9453339061226894e-05, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R + Total Standard Deviation in ln(k): 0.020610606003231093"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 0.020610606003231093""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 0.020610606003231093 +""", +) + +entry( + index = 1428, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00136,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(45522.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1429, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.0015,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(46568.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1430, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Ext-6R!H-R_5R!H-inRing_Ext-2CO-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(1.83895e-06,'m^3/(mol*s)'), n=3.21054, w0=(301000,'J/mol'), E0=(18203.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.6514681684610765, var=0.016969957750796884, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Ext-6R!H-R_5R!H-inRing_Ext-2CO-R_Ext-3R-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Ext-6R!H-R_5R!H-inRing_Ext-2CO-R_Ext-3R-R + Total Standard Deviation in ln(k): 1.8980091082189992"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Ext-6R!H-R_5R!H-inRing_Ext-2CO-R_Ext-3R-R +Total Standard Deviation in ln(k): 1.8980091082189992""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Ext-6R!H-R_5R!H-inRing_Ext-2CO-R_Ext-3R-R +Total Standard Deviation in ln(k): 1.8980091082189992 +""", +) + +entry( + index = 1431, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Ext-6R!H-R_5R!H-inRing_Ext-3R-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.000464,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(38630.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Ext-6R!H-R_5R!H-inRing_Ext-3R-R_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Ext-6R!H-R_5R!H-inRing_Ext-3R-R_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Ext-6R!H-R_5R!H-inRing_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Ext-6R!H-R_5R!H-inRing_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1432, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-2CO-R_Ext-7R!H-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.820718,'m^3/(mol*s)'), n=1.79195, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6390880864112598, var=0.006608368154545641, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-2CO-R_Ext-7R!H-R_Ext-3R-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-2CO-R_Ext-7R!H-R_Ext-3R-R + Total Standard Deviation in ln(k): 1.7687176244544005"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-2CO-R_Ext-7R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 1.7687176244544005""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-2CO-R_Ext-7R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 1.7687176244544005 +""", +) + +entry( + index = 1433, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-2CO-R_Ext-3R-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.0821659,'m^3/(mol*s)'), n=1.93065, w0=(301000,'J/mol'), E0=(21379.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.495670681192985, var=0.02764495738898085, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-2CO-R_Ext-3R-R_Ext-3R-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-2CO-R_Ext-3R-R_Ext-3R-R + Total Standard Deviation in ln(k): 1.5787264682392557"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-2CO-R_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 1.5787264682392557""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-2CO-R_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 1.5787264682392557 +""", +) + +entry( + index = 1434, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-2CO-R_Ext-3R-R_Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00218,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-2CO-R_Ext-3R-R_Sp-6R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-2CO-R_Ext-3R-R_Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-2CO-R_Ext-3R-R_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-2CO-R_Ext-3R-R_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1435, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-2CO-R_Ext-3R-R_N-Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00255,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-2CO-R_Ext-3R-R_N-Sp-6R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-2CO-R_Ext-3R-R_N-Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-2CO-R_Ext-3R-R_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-2CO-R_Ext-3R-R_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1436, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-3R-R_Ext-3R-R_Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00142,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(26484.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-3R-R_Ext-3R-R_Sp-6R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-3R-R_Ext-3R-R_Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-3R-R_Ext-3R-R_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-3R-R_Ext-3R-R_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1437, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-3R-R_Ext-3R-R_N-Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00184,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(26216.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-3R-R_Ext-3R-R_N-Sp-6R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-3R-R_Ext-3R-R_N-Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-3R-R_Ext-3R-R_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-3R-R_Ext-3R-R_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1438, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_N-Sp-2CO=1C_Sp-6R!H=5R!H_Ext-3R-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.00131,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(28950,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_N-Sp-2CO=1C_Sp-6R!H=5R!H_Ext-3R-R_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_N-Sp-2CO=1C_Sp-6R!H=5R!H_Ext-3R-R_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_N-Sp-2CO=1C_Sp-6R!H=5R!H_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_N-Sp-2CO=1C_Sp-6R!H=5R!H_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1439, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_N-Sp-2CO=1C_N-Sp-6R!H=5R!H_Ext-3R-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.0174,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(28950,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_N-Sp-2CO=1C_N-Sp-6R!H=5R!H_Ext-3R-R_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_N-Sp-2CO=1C_N-Sp-6R!H=5R!H_Ext-3R-R_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_N-Sp-2CO=1C_N-Sp-6R!H=5R!H_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_N-Sp-2CO=1C_N-Sp-6R!H=5R!H_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1440, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_1R!H-inRing_Ext-5R!H-R_Sp-6R!H-5R!H", + kinetics = ArrheniusBM(A=(0.00147171,'m^3/(mol*s)'), n=2.57925, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(303.03,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_1R!H-inRing_Ext-5R!H-R_Sp-6R!H-5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_1R!H-inRing_Ext-5R!H-R_Sp-6R!H-5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_1R!H-inRing_Ext-5R!H-R_Sp-6R!H-5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_1R!H-inRing_Ext-5R!H-R_Sp-6R!H-5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1441, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_1R!H-inRing_Ext-5R!H-R_N-Sp-6R!H-5R!H", + kinetics = ArrheniusBM(A=(1.37667,'m^3/(mol*s)'), n=2.01036, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(303.03,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_1R!H-inRing_Ext-5R!H-R_N-Sp-6R!H-5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_1R!H-inRing_Ext-5R!H-R_N-Sp-6R!H-5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_1R!H-inRing_Ext-5R!H-R_N-Sp-6R!H-5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_1R!H-inRing_Ext-5R!H-R_N-Sp-6R!H-5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1442, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R", + kinetics = ArrheniusBM(A=(89.612,'m^3/(mol*s)'), n=1.12098, w0=(301000,'J/mol'), E0=(82577.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.13231876806532988, var=0.6776297440375657, Tref=1000.0, N=40, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R',), comment="""BM rule fitted to 40 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R + Total Standard Deviation in ln(k): 1.9827224335491644"""), + rank = 11, + shortDesc = """BM rule fitted to 40 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R +Total Standard Deviation in ln(k): 1.9827224335491644""", + longDesc = +""" +BM rule fitted to 40 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R +Total Standard Deviation in ln(k): 1.9827224335491644 +""", +) + +entry( + index = 1443, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(0.00355188,'m^3/(mol*s)'), n=2.34146, w0=(301000,'J/mol'), E0=(70933.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.6600637824173317, var=5.995170522645738, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-1R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-1R!H-R + Total Standard Deviation in ln(k): 9.079615846140854"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 9.079615846140854""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 9.079615846140854 +""", +) + +entry( + index = 1444, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.00136,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1445, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R", + kinetics = ArrheniusBM(A=(352.425,'m^3/(mol*s)'), n=1.06121, w0=(301000,'J/mol'), E0=(75956.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1330937750381361, var=0.7567665055947931, Tref=1000.0, N=80, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R',), comment="""BM rule fitted to 80 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R + Total Standard Deviation in ln(k): 2.078372175371143"""), + rank = 11, + shortDesc = """BM rule fitted to 80 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R +Total Standard Deviation in ln(k): 2.078372175371143""", + longDesc = +""" +BM rule fitted to 80 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R +Total Standard Deviation in ln(k): 2.078372175371143 +""", +) + +entry( + index = 1446, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.00260772,'m^3/(mol*s)'), n=2.4669, w0=(301000,'J/mol'), E0=(58422.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08274995289649564, var=0.35199101406977384, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-3R-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-3R-R + Total Standard Deviation in ln(k): 1.3973003326162234"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 1.3973003326162234""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 1.3973003326162234 +""", +) + +entry( + index = 1447, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(3.68099e-10,'m^3/(mol*s)'), n=4.47502, w0=(301000,'J/mol'), E0=(638.476,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.19567345123772753, var=0.32311441480565717, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.631196483097407"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.631196483097407""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.631196483097407 +""", +) + +entry( + index = 1448, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.00685215,'m^3/(mol*s)'), n=2.4202, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0009661837491557961, var=1.6026924197308043, Tref=1000.0, N=42, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R',), comment="""BM rule fitted to 42 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 2.540371864558674"""), + rank = 11, + shortDesc = """BM rule fitted to 42 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 2.540371864558674""", + longDesc = +""" +BM rule fitted to 42 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 2.540371864558674 +""", +) + +entry( + index = 1449, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H", + kinetics = ArrheniusBM(A=(0.00108155,'m^3/(mol*s)'), n=2.66882, w0=(301000,'J/mol'), E0=(55115.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.010647315972377315, var=0.198438543891683, Tref=1000.0, N=18, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H',), comment="""BM rule fitted to 18 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H + Total Standard Deviation in ln(k): 0.9197901860989037"""), + rank = 11, + shortDesc = """BM rule fitted to 18 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H +Total Standard Deviation in ln(k): 0.9197901860989037""", + longDesc = +""" +BM rule fitted to 18 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H +Total Standard Deviation in ln(k): 0.9197901860989037 +""", +) + +entry( + index = 1450, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_N-Sp-5R!H-1R!H", + kinetics = ArrheniusBM(A=(2.54604e-06,'m^3/(mol*s)'), n=3.55485, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10848121418988516, var=0.4611433605610891, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_N-Sp-5R!H-1R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_N-Sp-5R!H-1R!H + Total Standard Deviation in ln(k): 1.6339320828048804"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_N-Sp-5R!H-1R!H +Total Standard Deviation in ln(k): 1.6339320828048804""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_N-Sp-5R!H-1R!H +Total Standard Deviation in ln(k): 1.6339320828048804 +""", +) + +entry( + index = 1451, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Ext-3R-R", + kinetics = ArrheniusBM(A=(3.36422e-05,'m^3/(mol*s)'), n=3.05536, w0=(301000,'J/mol'), E0=(49789.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.28469032479568035, var=0.2802741390407555, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Ext-3R-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Ext-3R-R + Total Standard Deviation in ln(k): 1.7766275890831094"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Ext-3R-R +Total Standard Deviation in ln(k): 1.7766275890831094""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Ext-3R-R +Total Standard Deviation in ln(k): 1.7766275890831094 +""", +) + +entry( + index = 1452, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(3.09983e-06,'m^3/(mol*s)'), n=3.43253, w0=(301000,'J/mol'), E0=(46780.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.4844959487505647, var=0.11397183901372442, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Ext-5R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Ext-5R!H-R + Total Standard Deviation in ln(k): 4.406682176976166"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 4.406682176976166""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 4.406682176976166 +""", +) + +entry( + index = 1453, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_N-Sp-5R!H-1R!H_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.0142,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_N-Sp-5R!H-1R!H_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_N-Sp-5R!H-1R!H_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_N-Sp-5R!H-1R!H_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_N-Sp-5R!H-1R!H_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1454, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_5R!H-inRing_Ext-2C-R", + kinetics = ArrheniusBM(A=(0.0040275,'m^3/(mol*s)'), n=2.4976, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09057941382206824, var=0.677967809799326, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_5R!H-inRing_Ext-2C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_5R!H-inRing_Ext-2C-R + Total Standard Deviation in ln(k): 1.8782612864969117"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_5R!H-inRing_Ext-2C-R +Total Standard Deviation in ln(k): 1.8782612864969117""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_5R!H-inRing_Ext-2C-R +Total Standard Deviation in ln(k): 1.8782612864969117 +""", +) + +entry( + index = 1455, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_5R!H-inRing_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.00279,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_5R!H-inRing_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_5R!H-inRing_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_5R!H-inRing_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_5R!H-inRing_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1456, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R", + kinetics = ArrheniusBM(A=(68.1702,'m^3/(mol*s)'), n=1.4002, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09568484772726402, var=1.0326820730501411, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R + Total Standard Deviation in ln(k): 2.27764534163147"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R +Total Standard Deviation in ln(k): 2.27764534163147""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R +Total Standard Deviation in ln(k): 2.27764534163147 +""", +) + +entry( + index = 1457, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00362391,'m^3/(mol*s)'), n=2.61483, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.004635949748023076, var=0.02202705233268824, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Sp-6R!H=5R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 0.3091811423360382"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 0.3091811423360382""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 0.3091811423360382 +""", +) + +entry( + index = 1458, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_N-Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(6.9331,'m^3/(mol*s)'), n=1.64839, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.7875376812863161, var=0.6727212597784945, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_N-Sp-6R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_N-Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 3.6230133170190264"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 3.6230133170190264""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 3.6230133170190264 +""", +) + +entry( + index = 1459, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(1.14673e-05,'m^3/(mol*s)'), n=3.25191, w0=(289500,'J/mol'), E0=(28950,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07977577205799999, var=0.9873174438148521, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 2.1924235684501183"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 2.1924235684501183""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 2.1924235684501183 +""", +) + +entry( + index = 1460, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1R!H-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.0163,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(28950,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1R!H-R_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1R!H-R_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1461, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.00138704,'m^3/(mol*s)'), n=2.97695, w0=(289500,'J/mol'), E0=(28950,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.053721834067518785, var=0.9798422610196823, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 2.1194062332683425"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 2.1194062332683425""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 2.1194062332683425 +""", +) + +entry( + index = 1462, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1R!H-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.216,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(28950,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1R!H-R_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1R!H-R_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1463, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.0356,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(28950,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1464, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.0986,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(28950,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1465, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.0026,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(80626.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1466, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.000825367,'m^3/(mol*s)'), n=2.71648, w0=(301000,'J/mol'), E0=(74352.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04804804812706967, var=0.060182949876686195, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 0.612529628127565"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.612529628127565""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.612529628127565 +""", +) + +entry( + index = 1467, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_N-6R!H-inRing_Sp-9R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00376,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(72100.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_N-6R!H-inRing_Sp-9R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_N-6R!H-inRing_Sp-9R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_N-6R!H-inRing_Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_N-6R!H-inRing_Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1468, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-9R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00488,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(72692.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-9R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-9R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1469, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(8.01152e-05,'m^3/(mol*s)'), n=3.0074, w0=(301000,'J/mol'), E0=(71014.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10062904891283787, var=0.46905150004934143, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_Ext-2R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_Ext-2R!H-R + Total Standard Deviation in ln(k): 1.625826426594744"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.625826426594744""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.625826426594744 +""", +) + +entry( + index = 1470, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_6R!H-inRing", + kinetics = ArrheniusBM(A=(1.16736e-14,'m^3/(mol*s)'), n=5.67665, w0=(301000,'J/mol'), E0=(24024.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10419613437076894, var=0.5580876476368902, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_6R!H-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_6R!H-inRing + Total Standard Deviation in ln(k): 1.7594419656049418"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_6R!H-inRing +Total Standard Deviation in ln(k): 1.7594419656049418""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_6R!H-inRing +Total Standard Deviation in ln(k): 1.7594419656049418 +""", +) + +entry( + index = 1471, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_N-6R!H-inRing", + kinetics = ArrheniusBM(A=(0.02446,'m^3/(mol*s)'), n=2.18, w0=(301000,'J/mol'), E0=(62404.2,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_N-6R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_N-6R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_N-6R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_N-6R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1472, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(2.08607e-08,'m^3/(mol*s)'), n=4.17898, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.16762118038019985, var=0.21416961612837362, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.3489193308343324"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.3489193308343324""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.3489193308343324 +""", +) + +entry( + index = 1473, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(0.000663265,'m^3/(mol*s)'), n=2.81952, w0=(301000,'J/mol'), E0=(61480.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0011905103243663136, var=0.11413721618865628, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R + Total Standard Deviation in ln(k): 0.680274937687336"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 0.680274937687336""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 0.680274937687336 +""", +) + +entry( + index = 1474, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00798,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1475, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00933,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1476, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(3.62834e-11,'m^3/(mol*s)'), n=4.82541, w0=(301000,'J/mol'), E0=(22443.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1270422811152004, var=0.15716316292752353, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-4R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-4R!H-R + Total Standard Deviation in ln(k): 1.1139550658004531"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-4R!H-R +Total Standard Deviation in ln(k): 1.1139550658004531""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-4R!H-R +Total Standard Deviation in ln(k): 1.1139550658004531 +""", +) + +entry( + index = 1477, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(0.000525224,'m^3/(mol*s)'), n=2.85055, w0=(301000,'J/mol'), E0=(62018.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0017685563118242055, var=0.28106167005592775, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-4R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-4R!H-R + Total Standard Deviation in ln(k): 1.0672589158909738"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-4R!H-R +Total Standard Deviation in ln(k): 1.0672589158909738""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-4R!H-R +Total Standard Deviation in ln(k): 1.0672589158909738 +""", +) + +entry( + index = 1478, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-2R!H-R_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(0.00116891,'m^3/(mol*s)'), n=2.72247, w0=(301000,'J/mol'), E0=(60554.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.005236127109248747, var=0.1783234734762391, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-2R!H-R_Ext-4R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-2R!H-R_Ext-4R!H-R + Total Standard Deviation in ln(k): 0.8597229260343823"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-2R!H-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 0.8597229260343823""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-2R!H-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 0.8597229260343823 +""", +) + +entry( + index = 1479, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-4R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.0141,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(64613.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-4R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-4R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-4R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-4R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1480, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-4R!H-R_Sp-7R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00666,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(62686,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-4R!H-R_Sp-7R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-4R!H-R_Sp-7R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-4R!H-R_Sp-7R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-4R!H-R_Sp-7R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1481, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00704,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(60139.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1482, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_N-Sp-6R!H-2R!H_Ext-4R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.0152,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(69605.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_N-Sp-6R!H-2R!H_Ext-4R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_N-Sp-6R!H-2R!H_Ext-4R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_N-Sp-6R!H-2R!H_Ext-4R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_N-Sp-6R!H-2R!H_Ext-4R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1483, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_N-Sp-6R!H-2R!H_Ext-4R!H-R_Sp-7R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00716,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(70391.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_N-Sp-6R!H-2R!H_Ext-4R!H-R_Sp-7R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_N-Sp-6R!H-2R!H_Ext-4R!H-R_Sp-7R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_N-Sp-6R!H-2R!H_Ext-4R!H-R_Sp-7R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_N-Sp-6R!H-2R!H_Ext-4R!H-R_Sp-7R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1484, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_N-Sp-6R!H-2R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00757,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(67497.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_N-Sp-6R!H-2R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_N-Sp-6R!H-2R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_N-Sp-6R!H-2R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_N-Sp-6R!H-2R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1485, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-2R!H->O_N-1R!H-inRing_Ext-4R!H-R_Ext-6R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00334,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(74857.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-2R!H->O_N-1R!H-inRing_Ext-4R!H-R_Ext-6R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-2R!H->O_N-1R!H-inRing_Ext-4R!H-R_Ext-6R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-2R!H->O_N-1R!H-inRing_Ext-4R!H-R_Ext-6R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-2R!H->O_N-1R!H-inRing_Ext-4R!H-R_Ext-6R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1486, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-2R!H->O_N-1R!H-inRing_Ext-4R!H-R_Ext-6R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(1.2684e-05,'m^3/(mol*s)'), n=3.01707, w0=(301000,'J/mol'), E0=(73650.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.01846349845098788, var=0.13267301216654853, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-2R!H->O_N-1R!H-inRing_Ext-4R!H-R_Ext-6R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-2R!H->O_N-1R!H-inRing_Ext-4R!H-R_Ext-6R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 0.7766015535884131"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-2R!H->O_N-1R!H-inRing_Ext-4R!H-R_Ext-6R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 0.7766015535884131""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-2R!H->O_N-1R!H-inRing_Ext-4R!H-R_Ext-6R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 0.7766015535884131 +""", +) + +entry( + index = 1487, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-4R!H-R_Sp-7R!H=4R!H", + kinetics = ArrheniusBM(A=(0.012,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(28950,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-4R!H-R_Sp-7R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-4R!H-R_Sp-7R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-4R!H-R_Sp-7R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-4R!H-R_Sp-7R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1488, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0333,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(28950,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1489, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R_Sp-7R!H=4R!H", + kinetics = ArrheniusBM(A=(0.159,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(28950,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R_Sp-7R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R_Sp-7R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R_Sp-7R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R_Sp-7R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1490, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H", + kinetics = ArrheniusBM(A=(0.441,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(28950,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H#1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1491, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(2.90701e-16,'m^3/(mol*s)'), n=6.35768, w0=(297182,'J/mol'), E0=(27333.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5979298194342261, var=0.7622876241182387, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 11 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 3.2526520730262027"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 3.2526520730262027""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 3.2526520730262027 +""", +) + +entry( + index = 1492, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_N-Sp-6R!H-=4R!H_Int-6R!H-5R!H", + kinetics = ArrheniusBM(A=(0.0469575,'m^3/(mol*s)'), n=2.30636, w0=(301000,'J/mol'), E0=(68663.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.17198537557979832, var=3.475272637874405, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_N-Sp-6R!H-=4R!H_Int-6R!H-5R!H',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_N-Sp-6R!H-=4R!H_Int-6R!H-5R!H + Total Standard Deviation in ln(k): 4.169367857830911"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_N-Sp-6R!H-=4R!H_Int-6R!H-5R!H +Total Standard Deviation in ln(k): 4.169367857830911""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_N-Sp-6R!H-=4R!H_Int-6R!H-5R!H +Total Standard Deviation in ln(k): 4.169367857830911 +""", +) + +entry( + index = 1493, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_5R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(4.78634e-05,'m^3/(mol*s)'), n=3.10977, w0=(301000,'J/mol'), E0=(66660.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.13099866541876007, var=0.489721062259038, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_5R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_5R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 1.732057446829564"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_5R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.732057446829564""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_5R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.732057446829564 +""", +) + +entry( + index = 1494, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_5R!H-inRing_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(0.000605762,'m^3/(mol*s)'), n=2.68881, w0=(301000,'J/mol'), E0=(67158.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.4758995589334976, var=4.262839778888236, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_5R!H-inRing_Ext-4R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_5R!H-inRing_Ext-4R!H-R + Total Standard Deviation in ln(k): 7.847395831860606"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_5R!H-inRing_Ext-4R!H-R +Total Standard Deviation in ln(k): 7.847395831860606""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_5R!H-inRing_Ext-4R!H-R +Total Standard Deviation in ln(k): 7.847395831860606 +""", +) + +entry( + index = 1495, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(642.69,'m^3/(mol*s)'), n=1.06305, w0=(301000,'J/mol'), E0=(77677,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.38573773776566245, var=0.5801155302050783, Tref=1000.0, N=16, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R',), comment="""BM rule fitted to 16 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R + Total Standard Deviation in ln(k): 2.496103094745756"""), + rank = 11, + shortDesc = """BM rule fitted to 16 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R +Total Standard Deviation in ln(k): 2.496103094745756""", + longDesc = +""" +BM rule fitted to 16 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R +Total Standard Deviation in ln(k): 2.496103094745756 +""", +) + +entry( + index = 1496, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Sp-4R!H-1R!H", + kinetics = ArrheniusBM(A=(4.34168e-05,'m^3/(mol*s)'), n=3.15207, w0=(301000,'J/mol'), E0=(56513,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.020143424028438862, var=0.23627847111212189, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Sp-4R!H-1R!H',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Sp-4R!H-1R!H + Total Standard Deviation in ln(k): 1.0250829463328703"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Sp-4R!H-1R!H +Total Standard Deviation in ln(k): 1.0250829463328703""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Sp-4R!H-1R!H +Total Standard Deviation in ln(k): 1.0250829463328703 +""", +) + +entry( + index = 1497, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_N-Sp-4R!H-1R!H", + kinetics = ArrheniusBM(A=(1.06904e-12,'m^3/(mol*s)'), n=5.4686, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=3.162732402009412, var=0.4460513715372209, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_N-Sp-4R!H-1R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_N-Sp-4R!H-1R!H + Total Standard Deviation in ln(k): 9.285467793109865"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_N-Sp-4R!H-1R!H +Total Standard Deviation in ln(k): 9.285467793109865""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_N-Sp-4R!H-1R!H +Total Standard Deviation in ln(k): 9.285467793109865 +""", +) + +entry( + index = 1498, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_N-Sp-5R!H-2R!H_N-1R!H-inRing_N-4R!H-inRing_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(5.7006e-09,'m^3/(mol*s)'), n=4.30811, w0=(301000,'J/mol'), E0=(55715,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03875391428482485, var=1.1274343134378793, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_N-Sp-5R!H-2R!H_N-1R!H-inRing_N-4R!H-inRing_Ext-4R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_N-Sp-5R!H-2R!H_N-1R!H-inRing_N-4R!H-inRing_Ext-4R!H-R + Total Standard Deviation in ln(k): 2.2260135787889075"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_N-Sp-5R!H-2R!H_N-1R!H-inRing_N-4R!H-inRing_Ext-4R!H-R +Total Standard Deviation in ln(k): 2.2260135787889075""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_N-Sp-5R!H-2R!H_N-1R!H-inRing_N-4R!H-inRing_Ext-4R!H-R +Total Standard Deviation in ln(k): 2.2260135787889075 +""", +) + +entry( + index = 1499, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_4R!H-u0_4R!H->C_Sp-4C-1R!H_4C-inRing", + kinetics = ArrheniusBM(A=(3.12147e-06,'m^3/(mol*s)'), n=3.43012, w0=(301000,'J/mol'), E0=(63604.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.602092272764336, var=0.8237010017160702, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_4R!H-u0_4R!H->C_Sp-4C-1R!H_4C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_4R!H-u0_4R!H->C_Sp-4C-1R!H_4C-inRing + Total Standard Deviation in ln(k): 3.3322516145570114"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_4R!H-u0_4R!H->C_Sp-4C-1R!H_4C-inRing +Total Standard Deviation in ln(k): 3.3322516145570114""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_4R!H-u0_4R!H->C_Sp-4C-1R!H_4C-inRing +Total Standard Deviation in ln(k): 3.3322516145570114 +""", +) + +entry( + index = 1500, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_4R!H-u0_4R!H->C_Sp-4C-1R!H_N-4C-inRing", + kinetics = ArrheniusBM(A=(2.75613e-07,'m^3/(mol*s)'), n=3.64094, w0=(301000,'J/mol'), E0=(62057.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12880204311487753, var=12.861353527730104, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_4R!H-u0_4R!H->C_Sp-4C-1R!H_N-4C-inRing',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_4R!H-u0_4R!H->C_Sp-4C-1R!H_N-4C-inRing + Total Standard Deviation in ln(k): 7.513150363585334"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_4R!H-u0_4R!H->C_Sp-4C-1R!H_N-4C-inRing +Total Standard Deviation in ln(k): 7.513150363585334""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_4R!H-u0_4R!H->C_Sp-4C-1R!H_N-4C-inRing +Total Standard Deviation in ln(k): 7.513150363585334 +""", +) + +entry( + index = 1501, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_Sp-5R!H-4R!H", + kinetics = ArrheniusBM(A=(0.00018143,'m^3/(mol*s)'), n=3.00333, w0=(301000,'J/mol'), E0=(62605.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.003388751916550961, var=0.4546468333404542, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_Sp-5R!H-4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_Sp-5R!H-4R!H + Total Standard Deviation in ln(k): 1.3602572821605283"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_Sp-5R!H-4R!H +Total Standard Deviation in ln(k): 1.3602572821605283""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_Sp-5R!H-4R!H +Total Standard Deviation in ln(k): 1.3602572821605283 +""", +) + +entry( + index = 1502, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_N-Sp-5R!H-4R!H", + kinetics = ArrheniusBM(A=(4.03444e-07,'m^3/(mol*s)'), n=3.67588, w0=(301000,'J/mol'), E0=(10005.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.23341399519007722, var=4.085512650586437, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_N-Sp-5R!H-4R!H',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_N-Sp-5R!H-4R!H + Total Standard Deviation in ln(k): 4.638568394146421"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_N-Sp-5R!H-4R!H +Total Standard Deviation in ln(k): 4.638568394146421""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_N-Sp-5R!H-4R!H +Total Standard Deviation in ln(k): 4.638568394146421 +""", +) + +entry( + index = 1503, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_4R!H->C_Ext-2CNO-R", + kinetics = ArrheniusBM(A=(0.0264,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(58175.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_4R!H->C_Ext-2CNO-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_4R!H->C_Ext-2CNO-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_4R!H->C_Ext-2CNO-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_4R!H->C_Ext-2CNO-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1504, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-Sp-2CNO=1CCNNO_N-4R!H-inRing_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(4.53521e-08,'m^3/(mol*s)'), n=4.19844, w0=(289500,'J/mol'), E0=(28950,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.849329698867228, var=14.9334078507784, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-Sp-2CNO=1CCNNO_N-4R!H-inRing_Ext-4R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-Sp-2CNO=1CCNNO_N-4R!H-inRing_Ext-4R!H-R + Total Standard Deviation in ln(k): 12.393608703265519"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-Sp-2CNO=1CCNNO_N-4R!H-inRing_Ext-4R!H-R +Total Standard Deviation in ln(k): 12.393608703265519""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-Sp-2CNO=1CCNNO_N-4R!H-inRing_Ext-4R!H-R +Total Standard Deviation in ln(k): 12.393608703265519 +""", +) + +entry( + index = 1505, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing", + kinetics = ArrheniusBM(A=(5.44955e-07,'m^3/(mol*s)'), n=3.4271, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.051727638267349, var=1.2427172983698112, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing + Total Standard Deviation in ln(k): 4.877354903313601"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing +Total Standard Deviation in ln(k): 4.877354903313601""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing +Total Standard Deviation in ln(k): 4.877354903313601 +""", +) + +entry( + index = 1506, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing", + kinetics = ArrheniusBM(A=(0.00629685,'m^3/(mol*s)'), n=2.40319, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0006455845037017625, var=0.8897867898014655, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing',), comment="""BM rule fitted to 5 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing + Total Standard Deviation in ln(k): 1.8926588101113329"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing +Total Standard Deviation in ln(k): 1.8926588101113329""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing +Total Standard Deviation in ln(k): 1.8926588101113329 +""", +) + +entry( + index = 1507, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R_Ext-10R!H-R", + kinetics = ArrheniusBM(A=(0.0158,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R_Ext-10R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R_Ext-10R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1508, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R_Sp-9R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00518,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R_Sp-9R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R_Sp-9R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R_Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R_Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1509, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R_N-Sp-9R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00606,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R_N-Sp-9R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R_N-Sp-9R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R_N-Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R_N-Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1510, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.00181616,'m^3/(mol*s)'), n=2.57303, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.015447909707114585, var=0.21132460932741184, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 0.9603916909466323"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.9603916909466323""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.9603916909466323 +""", +) + +entry( + index = 1511, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.000482261,'m^3/(mol*s)'), n=2.65495, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.023210291657826055, var=0.32294361353671974, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.1975707321622988"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.1975707321622988""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.1975707321622988 +""", +) + +entry( + index = 1512, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(30.2815,'m^3/(mol*s)'), n=1.47766, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08834509771987435, var=0.8022281146573239, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 12 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 2.0175574408083796"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.0175574408083796""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.0175574408083796 +""", +) + +entry( + index = 1513, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(1.31812,'m^3/(mol*s)'), n=1.79925, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0578720141837557, var=0.2131247866757031, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H',), comment="""BM rule fitted to 4 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 1.0709018436797104"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 1.0709018436797104""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 1.0709018436797104 +""", +) + +entry( + index = 1514, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(3.19963,'m^3/(mol*s)'), n=1.72139, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06525012595865305, var=0.21331220549099508, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 4 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 1.0898466568126406"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 1.0898466568126406""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 1.0898466568126406 +""", +) + +entry( + index = 1515, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.0192,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1516, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R_Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00906,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R_Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R_Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1517, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R_N-Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00957,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R_N-Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R_N-Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1518, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.0152,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1519, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R_Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(0.0072,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R_Sp-8R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R_Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1520, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(0.0076,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1521, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.0164,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1522, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00774,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Sp-8R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1523, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00818,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1524, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(0.0112,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-8R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1525, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(0.0123,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-8R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1526, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(4727.47,'m^3/(mol*s)'), n=0.904626, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1426433089528636, var=0.8637716632702943, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R',), comment="""BM rule fitted to 9 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 2.221587361076037"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.221587361076037""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.221587361076037 +""", +) + +entry( + index = 1527, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(543.136,'m^3/(mol*s)'), n=1.13498, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.12081626584682519, var=0.1576469986551216, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-5R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.0995342179493246"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.0995342179493246""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.0995342179493246 +""", +) + +entry( + index = 1528, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.0122,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1529, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.0159,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1530, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.160289,'m^3/(mol*s)'), n=2.19425, w0=(289500,'J/mol'), E0=(28950,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.020443499710147434, var=1.0836595588672784, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_Sp-7R!H=6R!H',), comment="""BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 2.1382741471936546"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 2.1382741471936546""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 2.1382741471936546 +""", +) + +entry( + index = 1531, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(19.5005,'m^3/(mol*s)'), n=1.91848, w0=(289500,'J/mol'), E0=(28950,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.04657429373838642, var=1.0995735217755942, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 2.2191970926854516"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 2.2191970926854516""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 2.2191970926854516 +""", +) + +entry( + index = 1532, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.0186516,'m^3/(mol*s)'), n=2.39864, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0010759737829525615, var=0.2729694799329289, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-2R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 1.0501069873333548"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.0501069873333548""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.0501069873333548 +""", +) + +entry( + index = 1533, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.00103103,'m^3/(mol*s)'), n=2.74822, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.032048647351313596, var=0.17661736023708396, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-5R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-5R!H-R + Total Standard Deviation in ln(k): 0.9230315620121304"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.9230315620121304""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.9230315620121304 +""", +) + +entry( + index = 1534, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Sp-6R!H-2R!H", + kinetics = ArrheniusBM(A=(0.0109,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Sp-6R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Sp-6R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1535, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_N-Sp-6R!H-2R!H", + kinetics = ArrheniusBM(A=(0.0117,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_N-Sp-6R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_N-Sp-6R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_N-Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_N-Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1536, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H-1R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.0619,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H-1R!H_Ext-2R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H-1R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H-1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H-1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1537, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_N-Sp-2R!H=1R!H_Ext-5R!H-R_Sp-7R!H=5R!H", + kinetics = ArrheniusBM(A=(0.106,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(28950,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_N-Sp-2R!H=1R!H_Ext-5R!H-R_Sp-7R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_N-Sp-2R!H=1R!H_Ext-5R!H-R_Sp-7R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_N-Sp-2R!H=1R!H_Ext-5R!H-R_Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_N-Sp-2R!H=1R!H_Ext-5R!H-R_Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1538, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_N-Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H", + kinetics = ArrheniusBM(A=(0.294,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(28950,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_N-Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_N-Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_N-Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_N-Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1539, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.0906836,'m^3/(mol*s)'), n=1.80617, w0=(301000,'J/mol'), E0=(76955.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.005960723039214181, var=1.1242037574063264, Tref=1000.0, N=20, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R',), comment="""BM rule fitted to 20 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R + Total Standard Deviation in ln(k): 2.140566727382705"""), + rank = 11, + shortDesc = """BM rule fitted to 20 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.140566727382705""", + longDesc = +""" +BM rule fitted to 20 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.140566727382705 +""", +) + +entry( + index = 1540, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(0.000422,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(59998,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-1R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-1R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1541, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.00252171,'m^3/(mol*s)'), n=2.37693, w0=(301000,'J/mol'), E0=(78639.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.01603638258777441, var=0.6926589988549073, Tref=1000.0, N=14, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 14 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 1.7087559936417833"""), + rank = 11, + shortDesc = """BM rule fitted to 14 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 1.7087559936417833""", + longDesc = +""" +BM rule fitted to 14 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 1.7087559936417833 +""", +) + +entry( + index = 1542, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(0.156141,'m^3/(mol*s)'), n=1.8534, w0=(301000,'J/mol'), E0=(69792.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.004008226833041869, var=1.0506877348871377, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R + Total Standard Deviation in ln(k): 2.0649857247768435"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 2.0649857247768435""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 2.0649857247768435 +""", +) + +entry( + index = 1543, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.00175,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(62167.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-2R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-2R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1544, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Sp-9R!H-2R!H", + kinetics = ArrheniusBM(A=(0.00139,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(64981.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Sp-9R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Sp-9R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1545, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-9R!H-2R!H", + kinetics = ArrheniusBM(A=(0.0015,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(71138.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-9R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-9R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1546, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(6.10177,'m^3/(mol*s)'), n=1.40831, w0=(301000,'J/mol'), E0=(74037.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.029125208907926775, var=1.3222553480892385, Tref=1000.0, N=40, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R',), comment="""BM rule fitted to 40 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R + Total Standard Deviation in ln(k): 2.3784110015302757"""), + rank = 11, + shortDesc = """BM rule fitted to 40 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.3784110015302757""", + longDesc = +""" +BM rule fitted to 40 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.3784110015302757 +""", +) + +entry( + index = 1547, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(3.7581,'m^3/(mol*s)'), n=1.4363, w0=(301000,'J/mol'), E0=(61774.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.011711133248701298, var=0.15072360758296283, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-8R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 0.8077260317173462"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.8077260317173462""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.8077260317173462 +""", +) + +entry( + index = 1548, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R", + kinetics = ArrheniusBM(A=(0.0172611,'m^3/(mol*s)'), n=2.25408, w0=(301000,'J/mol'), E0=(73980.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.015963561762811714, var=0.9387742717604205, Tref=1000.0, N=28, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R',), comment="""BM rule fitted to 28 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R + Total Standard Deviation in ln(k): 1.9825045738250475"""), + rank = 11, + shortDesc = """BM rule fitted to 28 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 1.9825045738250475""", + longDesc = +""" +BM rule fitted to 28 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 1.9825045738250475 +""", +) + +entry( + index = 1549, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.398657,'m^3/(mol*s)'), n=1.83774, w0=(301000,'J/mol'), E0=(58266.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.008104685118730828, var=0.4132084629926745, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R + Total Standard Deviation in ln(k): 1.3090331594498448"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.3090331594498448""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.3090331594498448 +""", +) + +entry( + index = 1550, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-10R!H-2R!H", + kinetics = ArrheniusBM(A=(3.87724,'m^3/(mol*s)'), n=1.53665, w0=(301000,'J/mol'), E0=(63117.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.00720500925722038, var=0.6146750892469524, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-10R!H-2R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-10R!H-2R!H + Total Standard Deviation in ln(k): 1.5898397449975954"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-10R!H-2R!H +Total Standard Deviation in ln(k): 1.5898397449975954""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-10R!H-2R!H +Total Standard Deviation in ln(k): 1.5898397449975954 +""", +) + +entry( + index = 1551, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-10R!H-2R!H", + kinetics = ArrheniusBM(A=(0.176067,'m^3/(mol*s)'), n=2.01451, w0=(301000,'J/mol'), E0=(72507.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.008535331824905517, var=0.8205266280734052, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-10R!H-2R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-10R!H-2R!H + Total Standard Deviation in ln(k): 1.8373932266495672"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-10R!H-2R!H +Total Standard Deviation in ln(k): 1.8373932266495672""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-10R!H-2R!H +Total Standard Deviation in ln(k): 1.8373932266495672 +""", +) + +entry( + index = 1552, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.0052,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(56719.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1553, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-8R!H-R_Sp-10R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00246,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(55780.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-8R!H-R_Sp-10R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-8R!H-R_Sp-10R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-8R!H-R_Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-8R!H-R_Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1554, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-8R!H-R_N-Sp-10R!H=8R!H", + kinetics = ArrheniusBM(A=(0.0026,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(52049.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-8R!H-R_N-Sp-10R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-8R!H-R_N-Sp-10R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-8R!H-R_N-Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-8R!H-R_N-Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1555, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.000409969,'m^3/(mol*s)'), n=2.71193, w0=(301000,'J/mol'), E0=(74654.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=5.645030199779533e-05, var=0.413433699934222, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 1.2891626383236792"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.2891626383236792""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.2891626383236792 +""", +) + +entry( + index = 1556, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.0270228,'m^3/(mol*s)'), n=2.05962, w0=(301000,'J/mol'), E0=(73521.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0006049974478771442, var=0.3113577107127173, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.1201509694100331"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.1201509694100331""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.1201509694100331 +""", +) + +entry( + index = 1557, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(1.17923e-05,'m^3/(mol*s)'), n=3.28403, w0=(297714,'J/mol'), E0=(66516,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0734183972829253, var=2.0080678774092386, Tref=1000.0, N=21, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R',), comment="""BM rule fitted to 21 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R + Total Standard Deviation in ln(k): 3.025304472305206"""), + rank = 11, + shortDesc = """BM rule fitted to 21 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R +Total Standard Deviation in ln(k): 3.025304472305206""", + longDesc = +""" +BM rule fitted to 21 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R +Total Standard Deviation in ln(k): 3.025304472305206 +""", +) + +entry( + index = 1558, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(9.35393e-24,'m^3/(mol*s)'), n=8.39201, w0=(301000,'J/mol'), E0=(11449.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.39217889129044653, var=2.493066746102651, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H',), comment="""BM rule fitted to 11 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 4.150740165594347"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 4.150740165594347""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 4.150740165594347 +""", +) + +entry( + index = 1559, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(35.3609,'m^3/(mol*s)'), n=1.61458, w0=(289500,'J/mol'), E0=(77025.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.012310581228487773, var=2.759205728084744, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 3.3609678932534335"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 3.3609678932534335""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 3.3609678932534335 +""", +) + +entry( + index = 1560, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.000594659,'m^3/(mol*s)'), n=2.54997, w0=(301000,'J/mol'), E0=(73735.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.006685037926451201, var=0.24840621785826952, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 1.0159638968286355"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.0159638968286355""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.0159638968286355 +""", +) + +entry( + index = 1561, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.042916,'m^3/(mol*s)'), n=1.88548, w0=(301000,'J/mol'), E0=(73105.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.00018443837550015252, var=0.34240252735320525, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.1735375778686081"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.1735375778686081""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.1735375778686081 +""", +) + +entry( + index = 1562, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R", + kinetics = ArrheniusBM(A=(5.12456e-05,'m^3/(mol*s)'), n=2.98791, w0=(297714,'J/mol'), E0=(67451.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07232635826256296, var=2.007914866205695, Tref=1000.0, N=21, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R',), comment="""BM rule fitted to 21 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R + Total Standard Deviation in ln(k): 3.0224524202767693"""), + rank = 11, + shortDesc = """BM rule fitted to 21 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R +Total Standard Deviation in ln(k): 3.0224524202767693""", + longDesc = +""" +BM rule fitted to 21 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R +Total Standard Deviation in ln(k): 3.0224524202767693 +""", +) + +entry( + index = 1563, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(5.59686e-23,'m^3/(mol*s)'), n=8.06012, w0=(301000,'J/mol'), E0=(11915.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3789629677254595, var=3.4067235389538313, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H',), comment="""BM rule fitted to 11 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 4.652370273519531"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 4.652370273519531""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 4.652370273519531 +""", +) + +entry( + index = 1564, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_N-Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(232.103,'m^3/(mol*s)'), n=1.27922, w0=(289500,'J/mol'), E0=(79453.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0021077080730481047, var=2.7780153993264833, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_N-Sp-2R!H=1R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_N-Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 3.346663785337486"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 3.346663785337486""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 3.346663785337486 +""", +) + +entry( + index = 1565, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(6.57521e-05,'m^3/(mol*s)'), n=2.99766, w0=(301000,'J/mol'), E0=(66187.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0528326156140341, var=0.32047575832345127, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 1.2676373874341738"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.2676373874341738""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.2676373874341738 +""", +) + +entry( + index = 1566, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.00298,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(62509.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1567, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.00387,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(64322.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1568, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.00275,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(75297.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1569, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.0365,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(73064.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1570, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.00269054,'m^3/(mol*s)'), n=2.07555, w0=(301000,'J/mol'), E0=(75193.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.021260540460840235, var=0.6852991799933814, Tref=1000.0, N=14, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 14 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 1.7129942517185457"""), + rank = 11, + shortDesc = """BM rule fitted to 14 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 1.7129942517185457""", + longDesc = +""" +BM rule fitted to 14 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 1.7129942517185457 +""", +) + +entry( + index = 1571, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(0.0798911,'m^3/(mol*s)'), n=1.65713, w0=(301000,'J/mol'), E0=(68527.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.012288231913587796, var=1.6616770194469017, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R + Total Standard Deviation in ln(k): 2.61509979217106"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 2.61509979217106""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 2.61509979217106 +""", +) + +entry( + index = 1572, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.000112,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(55775,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1573, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H", + kinetics = ArrheniusBM(A=(8.94e-05,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(58391,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1574, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H", + kinetics = ArrheniusBM(A=(9.61e-05,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(65767.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1575, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(1.1317e-05,'m^3/(mol*s)'), n=2.73291, w0=(301000,'J/mol'), E0=(61078.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0732790841617735, var=1.1330025642988777, Tref=1000.0, N=28, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 28 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 2.3180103046913625"""), + rank = 11, + shortDesc = """BM rule fitted to 28 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 2.3180103046913625""", + longDesc = +""" +BM rule fitted to 28 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 2.3180103046913625 +""", +) + +entry( + index = 1576, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(0.00768364,'m^3/(mol*s)'), n=1.92524, w0=(301000,'J/mol'), E0=(59355.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.027392045270390592, var=2.0316641547581415, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R + Total Standard Deviation in ln(k): 2.926302584035736"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 2.926302584035736""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 2.926302584035736 +""", +) + +entry( + index = 1577, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(4.93941e-05,'m^3/(mol*s)'), n=2.53534, w0=(301000,'J/mol'), E0=(50937.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.00864868269041655, var=4.838897419386985, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R + Total Standard Deviation in ln(k): 4.43164514061995"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 4.43164514061995""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 4.43164514061995 +""", +) + +entry( + index = 1578, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(1.08319e-05,'m^3/(mol*s)'), n=2.6593, w0=(301000,'J/mol'), E0=(59720,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.003338814426949747, var=1.185477662450107, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 2.1911373730843673"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 2.1911373730843673""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 2.1911373730843673 +""", +) + +entry( + index = 1579, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00672365,'m^3/(mol*s)'), n=1.92377, w0=(301000,'J/mol'), E0=(58065.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0013399242840143983, var=1.3309925311328894, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 2.316202430846433"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 2.316202430846433""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 2.316202430846433 +""", +) + +entry( + index = 1580, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-1R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(6.42e-05,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(58008.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-1R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-1R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-1R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-1R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1581, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-1R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(8.68e-05,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(46931,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-1R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-1R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-1R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-1R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1582, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.00160375,'m^3/(mol*s)'), n=2.25762, w0=(301000,'J/mol'), E0=(64044.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.05384635697481606, var=1.0015147761782723, Tref=1000.0, N=40, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R',), comment="""BM rule fitted to 40 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 2.1415452195119644"""), + rank = 11, + shortDesc = """BM rule fitted to 40 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.1415452195119644""", + longDesc = +""" +BM rule fitted to 40 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.1415452195119644 +""", +) + +entry( + index = 1583, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(1.1723,'m^3/(mol*s)'), n=1.4152, w0=(301000,'J/mol'), E0=(63465.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.01157405603215569, var=0.1419611222414224, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-8R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 0.7844191817326347"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.7844191817326347""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.7844191817326347 +""", +) + +entry( + index = 1584, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(1.81325e-07,'m^3/(mol*s)'), n=3.36194, w0=(301000,'J/mol'), E0=(46123.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1448530772322895, var=1.4046804320750446, Tref=1000.0, N=80, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R',), comment="""BM rule fitted to 80 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 2.7399487316215656"""), + rank = 11, + shortDesc = """BM rule fitted to 80 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.7399487316215656""", + longDesc = +""" +BM rule fitted to 80 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.7399487316215656 +""", +) + +entry( + index = 1585, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00268901,'m^3/(mol*s)'), n=2.10937, w0=(301000,'J/mol'), E0=(55965,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03411253168357257, var=0.23396380543159281, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 1.055396330153982"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 1.055396330153982""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 1.055396330153982 +""", +) + +entry( + index = 1586, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(3.35033,'m^3/(mol*s)'), n=1.29496, w0=(301000,'J/mol'), E0=(54513.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.01848726121364704, var=0.24888556924761251, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 1.0465813099783703"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 1.0465813099783703""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 1.0465813099783703 +""", +) + +entry( + index = 1587, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing", + kinetics = ArrheniusBM(A=(0.00241271,'m^3/(mol*s)'), n=2.12712, w0=(301000,'J/mol'), E0=(70991.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.018606161200047995, var=0.31430729873246455, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing + Total Standard Deviation in ln(k): 1.1706661027670167"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing +Total Standard Deviation in ln(k): 1.1706661027670167""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing +Total Standard Deviation in ln(k): 1.1706661027670167 +""", +) + +entry( + index = 1588, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing", + kinetics = ArrheniusBM(A=(1.16108e-18,'m^3/(mol*s)'), n=6.6884, w0=(298043,'J/mol'), E0=(23585.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.40955958597305675, var=1.2165631528303829, Tref=1000.0, N=35, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing',), comment="""BM rule fitted to 35 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing + Total Standard Deviation in ln(k): 3.2402253115427073"""), + rank = 11, + shortDesc = """BM rule fitted to 35 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing +Total Standard Deviation in ln(k): 3.2402253115427073""", + longDesc = +""" +BM rule fitted to 35 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing +Total Standard Deviation in ln(k): 3.2402253115427073 +""", +) + +entry( + index = 1589, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H", + kinetics = ArrheniusBM(A=(0.00315282,'m^3/(mol*s)'), n=2.21197, w0=(301000,'J/mol'), E0=(60700.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.011087952293463143, var=0.39703382851621555, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H + Total Standard Deviation in ln(k): 1.2910551865724738"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H +Total Standard Deviation in ln(k): 1.2910551865724738""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H +Total Standard Deviation in ln(k): 1.2910551865724738 +""", +) + +entry( + index = 1590, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H", + kinetics = ArrheniusBM(A=(0.000927,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(100530,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1591, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.362164,'m^3/(mol*s)'), n=1.78791, w0=(289500,'J/mol'), E0=(80911.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.00020845723583830413, var=1.6648349618588276, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 2.5872030354468176"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.5872030354468176""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.5872030354468176 +""", +) + +entry( + index = 1592, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing", + kinetics = ArrheniusBM(A=(9.67665e-08,'m^3/(mol*s)'), n=3.36334, w0=(301000,'J/mol'), E0=(51422,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.216052303509661, var=0.8193498461016052, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing + Total Standard Deviation in ln(k): 2.35748998885244"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing +Total Standard Deviation in ln(k): 2.35748998885244""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing +Total Standard Deviation in ln(k): 2.35748998885244 +""", +) + +entry( + index = 1593, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing", + kinetics = ArrheniusBM(A=(2.99469e-15,'m^3/(mol*s)'), n=5.69168, w0=(298043,'J/mol'), E0=(22652.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.32240492867222603, var=1.3566992904969655, Tref=1000.0, N=70, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing',), comment="""BM rule fitted to 70 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing + Total Standard Deviation in ln(k): 3.1451266350590856"""), + rank = 11, + shortDesc = """BM rule fitted to 70 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing +Total Standard Deviation in ln(k): 3.1451266350590856""", + longDesc = +""" +BM rule fitted to 70 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing +Total Standard Deviation in ln(k): 3.1451266350590856 +""", +) + +entry( + index = 1594, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H", + kinetics = ArrheniusBM(A=(2.96826e-05,'m^3/(mol*s)'), n=2.76817, w0=(301000,'J/mol'), E0=(48600.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.054363414605899725, var=1.2282521591208506, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H + Total Standard Deviation in ln(k): 2.358369982314503"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H +Total Standard Deviation in ln(k): 2.358369982314503""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H +Total Standard Deviation in ln(k): 2.358369982314503 +""", +) + +entry( + index = 1595, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H", + kinetics = ArrheniusBM(A=(1.77755e-21,'m^3/(mol*s)'), n=7.47848, w0=(301000,'J/mol'), E0=(9624.99,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=2.979087983596836, var=6.729956195648224, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H + Total Standard Deviation in ln(k): 12.685861323612368"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H +Total Standard Deviation in ln(k): 12.685861323612368""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H +Total Standard Deviation in ln(k): 12.685861323612368 +""", +) + +entry( + index = 1596, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.00512953,'m^3/(mol*s)'), n=2.28955, w0=(289500,'J/mol'), E0=(68242.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.053584404818298126, var=1.7435215459181237, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 2.781736015706839"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.781736015706839""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.781736015706839 +""", +) + +entry( + index = 1597, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00266,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(63235.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1598, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0036,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(53080.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1599, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(3.29762e-05,'m^3/(mol*s)'), n=2.89623, w0=(301000,'J/mol'), E0=(59362.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04769437603210253, var=0.07282676419070853, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 0.6608416323178954"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.6608416323178954""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.6608416323178954 +""", +) + +entry( + index = 1600, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000561,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(56191.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1601, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000727,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(56249.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1602, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000517,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(69747.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1603, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00686,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(67346.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1604, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000314,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(62381,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1605, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000425,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(54047.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1606, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(4.33383e-07,'m^3/(mol*s)'), n=3.40618, w0=(301000,'J/mol'), E0=(43099.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1084167935029421, var=0.5738617206881479, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 1.7910642251312454"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.7910642251312454""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.7910642251312454 +""", +) + +entry( + index = 1607, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000131627,'m^3/(mol*s)'), n=2.62492, w0=(301000,'J/mol'), E0=(53662.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.144183198991068e-05, var=0.13854280228338905, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_4R!H-inRing + Total Standard Deviation in ln(k): 0.746217972956156"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_4R!H-inRing +Total Standard Deviation in ln(k): 0.746217972956156""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_4R!H-inRing +Total Standard Deviation in ln(k): 0.746217972956156 +""", +) + +entry( + index = 1608, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0094562,'m^3/(mol*s)'), n=2.15578, w0=(301000,'J/mol'), E0=(52056.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=3.4106313586575217e-06, var=0.13437210211370967, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_N-4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 0.7348803068182277"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 0.7348803068182277""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 0.7348803068182277 +""", +) + +entry( + index = 1609, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(2.94281e-15,'m^3/(mol*s)'), n=5.62433, w0=(289500,'J/mol'), E0=(13766.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.027912351872880582, var=2.6655224811059073, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Sp-9R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 3.3431478081758996"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 3.3431478081758996""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 3.3431478081758996 +""", +) + +entry( + index = 1610, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(3.5585e-13,'m^3/(mol*s)'), n=5.34937, w0=(289500,'J/mol'), E0=(-5558.42,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03002912925584527, var=2.5931185178479716, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 3.3037076033659063"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 3.3037076033659063""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 3.3037076033659063 +""", +) + +entry( + index = 1611, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.000463852,'m^3/(mol*s)'), n=2.53822, w0=(301000,'J/mol'), E0=(80243.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.007087895318911478, var=0.7170666415023647, Tref=1000.0, N=14, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 14 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.7154141861545735"""), + rank = 11, + shortDesc = """BM rule fitted to 14 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.7154141861545735""", + longDesc = +""" +BM rule fitted to 14 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.7154141861545735 +""", +) + +entry( + index = 1612, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(0.000663426,'m^3/(mol*s)'), n=2.49324, w0=(301000,'J/mol'), E0=(72246.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.01547461563339102, var=1.2566971860958978, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R + Total Standard Deviation in ln(k): 2.286239205069916"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 2.286239205069916""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 2.286239205069916 +""", +) + +entry( + index = 1613, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.00087,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(67195.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1614, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-8R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000691,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(69801.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-8R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-8R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1615, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000743,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(75497.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1616, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(2.80156e-24,'m^3/(mol*s)'), n=8.43375, w0=(299552,'J/mol'), E0=(3776.06,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-2.0667342470182914, var=5.448554826525612, Tref=1000.0, N=29, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 29 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 9.8722802260207"""), + rank = 11, + shortDesc = """BM rule fitted to 29 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 9.8722802260207""", + longDesc = +""" +BM rule fitted to 29 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 9.8722802260207 +""", +) + +entry( + index = 1617, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(3.79604e-09,'m^3/(mol*s)'), n=4.08895, w0=(295000,'J/mol'), E0=(52656.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.1538106057151762, var=4.277661821767055, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R + Total Standard Deviation in ln(k): 7.0453167681308795"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 7.0453167681308795""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 7.0453167681308795 +""", +) + +entry( + index = 1618, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-8R!H=2R!H", + kinetics = ArrheniusBM(A=(4.417e-06,'m^3/(mol*s)'), n=3.01871, w0=(301000,'J/mol'), E0=(67356.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0005957443513224288, var=0.307009910293055, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-8R!H=2R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-8R!H=2R!H + Total Standard Deviation in ln(k): 1.1122899794778711"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-8R!H=2R!H +Total Standard Deviation in ln(k): 1.1122899794778711""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-8R!H=2R!H +Total Standard Deviation in ln(k): 1.1122899794778711 +""", +) + +entry( + index = 1619, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H", + kinetics = ArrheniusBM(A=(3.05338e-09,'m^3/(mol*s)'), n=4.17203, w0=(287000,'J/mol'), E0=(46251.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.19781726164096675, var=1.5490411694141397, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H + Total Standard Deviation in ln(k): 2.9921312449471276"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H +Total Standard Deviation in ln(k): 2.9921312449471276""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H +Total Standard Deviation in ln(k): 2.9921312449471276 +""", +) + +entry( + index = 1620, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-1R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000402,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(64827.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-1R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-1R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-1R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-1R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1621, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-1R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00034,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(66880.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-1R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-1R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-1R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-1R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1622, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(3.08514e-05,'m^3/(mol*s)'), n=2.99003, w0=(301000,'J/mol'), E0=(67413.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.059757405122578905, var=0.9069602110103105, Tref=1000.0, N=40, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R',), comment="""BM rule fitted to 40 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 2.059342831851393"""), + rank = 11, + shortDesc = """BM rule fitted to 40 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.059342831851393""", + longDesc = +""" +BM rule fitted to 40 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.059342831851393 +""", +) + +entry( + index = 1623, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.0181086,'m^3/(mol*s)'), n=2.17454, w0=(301000,'J/mol'), E0=(67337.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.006925997105045769, var=0.14675363575169123, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-7R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-7R!H-R + Total Standard Deviation in ln(k): 0.7853846800918627"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.7853846800918627""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.7853846800918627 +""", +) + +entry( + index = 1624, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(1.4321e-06,'m^3/(mol*s)'), n=3.30322, w0=(301000,'J/mol'), E0=(58407.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06816940203078423, var=0.824075485617751, Tref=1000.0, N=80, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R',), comment="""BM rule fitted to 80 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 1.9911504120385617"""), + rank = 11, + shortDesc = """BM rule fitted to 80 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.9911504120385617""", + longDesc = +""" +BM rule fitted to 80 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.9911504120385617 +""", +) + +entry( + index = 1625, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.000533114,'m^3/(mol*s)'), n=2.54897, w0=(301000,'J/mol'), E0=(59723.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.014766105829312164, var=0.14792917048921791, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R + Total Standard Deviation in ln(k): 0.808153181001587"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.808153181001587""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.808153181001587 +""", +) + +entry( + index = 1626, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000751,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(59057.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1627, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000636,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(61021.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1628, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R", + kinetics = ArrheniusBM(A=(4.26341e-15,'m^3/(mol*s)'), n=5.79896, w0=(301608,'J/mol'), E0=(35999.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3958631978072423, var=1.3076153590717718, Tref=1000.0, N=37, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R',), comment="""BM rule fitted to 37 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R + Total Standard Deviation in ln(k): 3.2870659680961"""), + rank = 11, + shortDesc = """BM rule fitted to 37 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R +Total Standard Deviation in ln(k): 3.2870659680961""", + longDesc = +""" +BM rule fitted to 37 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R +Total Standard Deviation in ln(k): 3.2870659680961 +""", +) + +entry( + index = 1629, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_N-Sp-6R!H-3R", + kinetics = ArrheniusBM(A=(0.000128,'m^3/(mol*s)'), n=3.05, w0=(301000,'J/mol'), E0=(30100,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_N-Sp-6R!H-3R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_N-Sp-6R!H-3R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_N-Sp-6R!H-3R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_N-Sp-6R!H-3R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1630, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(1.83295e-12,'m^3/(mol*s)'), n=5.01966, w0=(301000,'J/mol'), E0=(41292.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2044140506114217, var=0.8596211838305609, Tref=1000.0, N=64, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R',), comment="""BM rule fitted to 64 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 2.372308471277398"""), + rank = 11, + shortDesc = """BM rule fitted to 64 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.372308471277398""", + longDesc = +""" +BM rule fitted to 64 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.372308471277398 +""", +) + +entry( + index = 1631, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H", + kinetics = ArrheniusBM(A=(3.48308e-06,'m^3/(mol*s)'), n=3.23132, w0=(301000,'J/mol'), E0=(56463.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.022262170186293544, var=0.2359045206640734, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H + Total Standard Deviation in ln(k): 1.02963499134416"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H +Total Standard Deviation in ln(k): 1.02963499134416""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H +Total Standard Deviation in ln(k): 1.02963499134416 +""", +) + +entry( + index = 1632, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-1R!H", + kinetics = ArrheniusBM(A=(8.11491e-22,'m^3/(mol*s)'), n=7.77533, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=5.547989096601686, var=0.05225308723892498, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-1R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-1R!H + Total Standard Deviation in ln(k): 14.39793216905246"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-1R!H +Total Standard Deviation in ln(k): 14.39793216905246""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-1R!H +Total Standard Deviation in ln(k): 14.39793216905246 +""", +) + +entry( + index = 1633, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H", + kinetics = ArrheniusBM(A=(0.0022,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(85497,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1634, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00611,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(78816.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1635, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H", + kinetics = ArrheniusBM(A=(4.97243e-19,'m^3/(mol*s)'), n=6.8378, w0=(289500,'J/mol'), E0=(28520.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=2.594037268410634, var=5.770531440985649, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H + Total Standard Deviation in ln(k): 11.33344224538902"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 11.33344224538902""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 11.33344224538902 +""", +) + +entry( + index = 1636, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H", + kinetics = ArrheniusBM(A=(5.22992e-18,'m^3/(mol*s)'), n=6.67271, w0=(289500,'J/mol'), E0=(26087.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.01910476802742561, var=1.77592490762892, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H + Total Standard Deviation in ln(k): 2.719588727107138"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 2.719588727107138""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 2.719588727107138 +""", +) + +entry( + index = 1637, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(7.6929e-05,'m^3/(mol*s)'), n=3.03667, w0=(301000,'J/mol'), E0=(66880.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04174979615041693, var=0.0155138804291466, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 0.3545982188830933"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.3545982188830933""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.3545982188830933 +""", +) + +entry( + index = 1638, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00433,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(65152,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1639, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00562,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(66484.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1640, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.004,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(77823.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1641, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.0531,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(75367.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1642, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.000496838,'m^3/(mol*s)'), n=2.73525, w0=(301000,'J/mol'), E0=(61067.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0009301207186566483, var=0.07898132709864424, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 0.5657400485054337"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.5657400485054337""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.5657400485054337 +""", +) + +entry( + index = 1643, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.000132029,'m^3/(mol*s)'), n=2.83238, w0=(301000,'J/mol'), E0=(57533.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0013161852544427064, var=0.2161988815724726, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 0.935452505771873"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 0.935452505771873""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 0.935452505771873 +""", +) + +entry( + index = 1644, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(2.12002e-05,'m^3/(mol*s)'), n=3.10058, w0=(301000,'J/mol'), E0=(56166,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0012745784011039432, var=0.19934914278875351, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 0.8982872449105569"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 0.8982872449105569""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 0.8982872449105569 +""", +) + +entry( + index = 1645, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(1.22916e-15,'m^3/(mol*s)'), n=5.93938, w0=(289500,'J/mol'), E0=(27988.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=2.1052979664442724, var=3.191275773457563, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Sp-8R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 8.87098063712642"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 8.87098063712642""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 8.87098063712642 +""", +) + +entry( + index = 1646, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(1.80079e-13,'m^3/(mol*s)'), n=5.63777, w0=(289500,'J/mol'), E0=(28517.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.9537065286908493, var=2.5819115516921203, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 8.130084391710763"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 8.130084391710763""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 8.130084391710763 +""", +) + +entry( + index = 1647, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.00486,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(59459.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Ext-2R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1648, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-7R!H-2R!H", + kinetics = ArrheniusBM(A=(0.00386,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(61933.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-7R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-7R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1649, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_Sp-5R!H=4R!H_N-Sp-7R!H-2R!H", + kinetics = ArrheniusBM(A=(0.00415,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(65096.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_Sp-5R!H=4R!H_N-Sp-7R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_Sp-5R!H=4R!H_N-Sp-7R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_Sp-5R!H=4R!H_N-Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_Sp-5R!H=4R!H_N-Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1650, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(4.18859e-05,'m^3/(mol*s)'), n=2.98302, w0=(301000,'J/mol'), E0=(51780.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0009922296633866803, var=0.2828523296730809, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 1.0686885989037525"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.0686885989037525""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.0686885989037525 +""", +) + +entry( + index = 1651, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-2R!H", + kinetics = ArrheniusBM(A=(1.62116e-05,'m^3/(mol*s)'), n=3.07765, w0=(301000,'J/mol'), E0=(53608,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0009502624353969212, var=0.28291143253364043, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-2R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-2R!H + Total Standard Deviation in ln(k): 1.0686945402027268"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 1.0686945402027268""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 1.0686945402027268 +""", +) + +entry( + index = 1652, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-2R!H", + kinetics = ArrheniusBM(A=(7.41639e-05,'m^3/(mol*s)'), n=2.88915, w0=(301000,'J/mol'), E0=(58213.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.000846536681700884, var=0.290956130448597, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-2R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-2R!H + Total Standard Deviation in ln(k): 1.0834880839391379"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 1.0834880839391379""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 1.0834880839391379 +""", +) + +entry( + index = 1653, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0214,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(68698.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1654, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0181,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(76657.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1655, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(2.11594e-05,'m^3/(mol*s)'), n=3.28715, w0=(289500,'J/mol'), E0=(77016.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04744693115250683, var=0.8608594837111037, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R + Total Standard Deviation in ln(k): 1.9792569914580727"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R +Total Standard Deviation in ln(k): 1.9792569914580727""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R +Total Standard Deviation in ln(k): 1.9792569914580727 +""", +) + +entry( + index = 1656, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0229,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(81101,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Sp-5R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1657, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.000117334,'m^3/(mol*s)'), n=3.02902, w0=(289500,'J/mol'), E0=(72662.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.00014861750351732942, var=0.00026891975366054934, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.03324860613495808"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.03324860613495808""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.03324860613495808 +""", +) + +entry( + index = 1658, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(4.49627e-05,'m^3/(mol*s)'), n=3.50928, w0=(289500,'J/mol'), E0=(65125.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.05671424657146932, var=0.8779540756914217, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R + Total Standard Deviation in ln(k): 2.0209189089470767"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R +Total Standard Deviation in ln(k): 2.0209189089470767""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R +Total Standard Deviation in ln(k): 2.0209189089470767 +""", +) + +entry( + index = 1659, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Sp-5R!H#4R!H", + kinetics = ArrheniusBM(A=(3.19172e-14,'m^3/(mol*s)'), n=5.78583, w0=(289500,'J/mol'), E0=(23152.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.7309442184608126, var=6.807844574386037, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Sp-5R!H#4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Sp-5R!H#4R!H + Total Standard Deviation in ln(k): 9.57983008184494"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Sp-5R!H#4R!H +Total Standard Deviation in ln(k): 9.57983008184494""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Sp-5R!H#4R!H +Total Standard Deviation in ln(k): 9.57983008184494 +""", +) + +entry( + index = 1660, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-Sp-5R!H#4R!H", + kinetics = ArrheniusBM(A=(0.0015643,'m^3/(mol*s)'), n=3.0575, w0=(289500,'J/mol'), E0=(71587.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.010816384493471224, var=0.010490012371541528, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-Sp-5R!H#4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-Sp-5R!H#4R!H + Total Standard Deviation in ln(k): 0.2325033385496023"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-Sp-5R!H#4R!H +Total Standard Deviation in ln(k): 0.2325033385496023""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-Sp-5R!H#4R!H +Total Standard Deviation in ln(k): 0.2325033385496023 +""", +) + +entry( + index = 1661, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(0.342408,'m^3/(mol*s)'), n=2.36365, w0=(289500,'J/mol'), E0=(82000.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.01753561056575455, var=2.4034517844673418, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-1R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-1R!H-R + Total Standard Deviation in ln(k): 3.152014140334766"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-1R!H-R +Total Standard Deviation in ln(k): 3.152014140334766""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-1R!H-R +Total Standard Deviation in ln(k): 3.152014140334766 +""", +) + +entry( + index = 1662, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(0.00182321,'m^3/(mol*s)'), n=2.93364, w0=(289500,'J/mol'), E0=(73223,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03758621004964134, var=1.1599794239554815, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R + Total Standard Deviation in ln(k): 2.2535843212817586"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R +Total Standard Deviation in ln(k): 2.2535843212817586""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R +Total Standard Deviation in ln(k): 2.2535843212817586 +""", +) + +entry( + index = 1663, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.087,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(71837.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1664, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000195939,'m^3/(mol*s)'), n=3.33686, w0=(289500,'J/mol'), E0=(63747,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.2250664074344122, var=3.41006572478949, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 6.7800729203357495"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 6.7800729203357495""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 6.7800729203357495 +""", +) + +entry( + index = 1665, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.039,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(82257.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Sp-5R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1666, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00135549,'m^3/(mol*s)'), n=2.79897, w0=(289500,'J/mol'), E0=(78610.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=5.034837503675507e-05, var=0.00259868200123443, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.1023224236839629"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.1023224236839629""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.1023224236839629 +""", +) + +entry( + index = 1667, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.108,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(83058.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Sp-5R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1668, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.000247181,'m^3/(mol*s)'), n=3.10297, w0=(289500,'J/mol'), E0=(73854.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=4.990345075654164e-05, var=0.0028547343560407284, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.10723780772176905"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.10723780772176905""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.10723780772176905 +""", +) + +entry( + index = 1669, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(5.40123e-24,'m^3/(mol*s)'), n=8.44412, w0=(300023,'J/mol'), E0=(7544.11,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.5603233828041543, var=3.0613836381601236, Tref=1000.0, N=43, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 43 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 7.428057405360765"""), + rank = 11, + shortDesc = """BM rule fitted to 43 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 7.428057405360765""", + longDesc = +""" +BM rule fitted to 43 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 7.428057405360765 +""", +) + +entry( + index = 1670, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(5.67589e-08,'m^3/(mol*s)'), n=3.92505, w0=(296800,'J/mol'), E0=(54272.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.4330560434136352, var=7.86098511706101, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R + Total Standard Deviation in ln(k): 9.221408950121873"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 9.221408950121873""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 9.221408950121873 +""", +) + +entry( + index = 1671, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(7.13243e-09,'m^3/(mol*s)'), n=4.14346, w0=(293364,'J/mol'), E0=(49768.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2716216971789232, var=1.3909788212333973, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 11 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 3.0468464187238937"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 3.0468464187238937""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 3.0468464187238937 +""", +) + +entry( + index = 1672, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00352,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(75351.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1673, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.000111432,'m^3/(mol*s)'), n=2.77778, w0=(301000,'J/mol'), E0=(71213.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0002066073039972602, var=0.0683928049945264, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.5247977938359774"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.5247977938359774""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.5247977938359774 +""", +) + +entry( + index = 1674, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00183,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(69872.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1675, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00169,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(70754.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1676, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(3.33944e-06,'m^3/(mol*s)'), n=3.4007, w0=(301000,'J/mol'), E0=(63903.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07148547467346575, var=0.8643066569791806, Tref=1000.0, N=120, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R',), comment="""BM rule fitted to 120 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R + Total Standard Deviation in ln(k): 2.043375743923449"""), + rank = 11, + shortDesc = """BM rule fitted to 120 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.043375743923449""", + longDesc = +""" +BM rule fitted to 120 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.043375743923449 +""", +) + +entry( + index = 1677, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Sp-5R!H-4R!H", + kinetics = ArrheniusBM(A=(3.61131e-05,'m^3/(mol*s)'), n=2.64968, w0=(301000,'J/mol'), E0=(67507.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.004447844302584075, var=0.16561302324260077, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Sp-5R!H-4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Sp-5R!H-4R!H + Total Standard Deviation in ln(k): 0.8270140556255572"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Sp-5R!H-4R!H +Total Standard Deviation in ln(k): 0.8270140556255572""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Sp-5R!H-4R!H +Total Standard Deviation in ln(k): 0.8270140556255572 +""", +) + +entry( + index = 1678, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H", + kinetics = ArrheniusBM(A=(0.000932178,'m^3/(mol*s)'), n=2.67519, w0=(301000,'J/mol'), E0=(66162.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.02197543268555402, var=0.3613592116033919, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H + Total Standard Deviation in ln(k): 1.2603242781224882"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H +Total Standard Deviation in ln(k): 1.2603242781224882""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H +Total Standard Deviation in ln(k): 1.2603242781224882 +""", +) + +entry( + index = 1679, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(5.17377e-11,'m^3/(mol*s)'), n=4.81275, w0=(301000,'J/mol'), E0=(50493.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1846862625994883, var=0.8364652306586589, Tref=1000.0, N=97, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R',), comment="""BM rule fitted to 97 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R + Total Standard Deviation in ln(k): 2.297535927688302"""), + rank = 11, + shortDesc = """BM rule fitted to 97 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.297535927688302""", + longDesc = +""" +BM rule fitted to 97 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.297535927688302 +""", +) + +entry( + index = 1680, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Sp-5R!H-4R!H", + kinetics = ArrheniusBM(A=(6.49983e-19,'m^3/(mol*s)'), n=6.6686, w0=(301000,'J/mol'), E0=(26450.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.7529054387372491, var=3.478843363399474, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Sp-5R!H-4R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Sp-5R!H-4R!H + Total Standard Deviation in ln(k): 5.630885459583329"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Sp-5R!H-4R!H +Total Standard Deviation in ln(k): 5.630885459583329""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Sp-5R!H-4R!H +Total Standard Deviation in ln(k): 5.630885459583329 +""", +) + +entry( + index = 1681, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H", + kinetics = ArrheniusBM(A=(9.92162e-24,'m^3/(mol*s)'), n=8.50855, w0=(301000,'J/mol'), E0=(21114.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07480119185934195, var=0.7875501000026911, Tref=1000.0, N=15, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H',), comment="""BM rule fitted to 15 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H + Total Standard Deviation in ln(k): 1.9670251814599555"""), + rank = 11, + shortDesc = """BM rule fitted to 15 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H +Total Standard Deviation in ln(k): 1.9670251814599555""", + longDesc = +""" +BM rule fitted to 15 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H +Total Standard Deviation in ln(k): 1.9670251814599555 +""", +) + +entry( + index = 1682, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(4.79494e-07,'m^3/(mol*s)'), n=3.32219, w0=(301000,'J/mol'), E0=(61553.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0031366570851235082, var=0.13006187574643355, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-5R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-5R!H-R + Total Standard Deviation in ln(k): 0.7308705577577421"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.7308705577577421""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.7308705577577421 +""", +) + +entry( + index = 1683, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(9.25e-06,'m^3/(mol*s)'), n=2.89, w0=(301000,'J/mol'), E0=(58551.6,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-4R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-4R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-4R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-4R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1684, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(3.773e-06,'m^3/(mol*s)'), n=2.984, w0=(301000,'J/mol'), E0=(63863.7,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1685, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_N-2R!H->O_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(3.9191e-06,'m^3/(mol*s)'), n=3.18026, w0=(301000,'J/mol'), E0=(63996.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.005493705241557882, var=0.04430231836784365, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_N-2R!H->O_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_N-2R!H->O_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 0.4357622424310165"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_N-2R!H->O_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 0.4357622424310165""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_N-2R!H->O_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 0.4357622424310165 +""", +) + +entry( + index = 1686, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing", + kinetics = ArrheniusBM(A=(0.000859501,'m^3/(mol*s)'), n=2.69588, w0=(301000,'J/mol'), E0=(72870.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.006573553662875062, var=0.07725952055250329, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing + Total Standard Deviation in ln(k): 0.573744546973267"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing +Total Standard Deviation in ln(k): 0.573744546973267""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing +Total Standard Deviation in ln(k): 0.573744546973267 +""", +) + +entry( + index = 1687, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing", + kinetics = ArrheniusBM(A=(0.0436422,'m^3/(mol*s)'), n=2.35379, w0=(301000,'J/mol'), E0=(70220.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.05363307219097337, var=0.20342381217686326, Tref=1000.0, N=16, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing',), comment="""BM rule fitted to 16 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing + Total Standard Deviation in ln(k): 1.0389426823513084"""), + rank = 11, + shortDesc = """BM rule fitted to 16 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing +Total Standard Deviation in ln(k): 1.0389426823513084""", + longDesc = +""" +BM rule fitted to 16 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing +Total Standard Deviation in ln(k): 1.0389426823513084 +""", +) + +entry( + index = 1688, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.0279,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(62939.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1689, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-6R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000165829,'m^3/(mol*s)'), n=2.90505, w0=(301000,'J/mol'), E0=(62242.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-3.0999318005449506e-15, var=9.791766224197607, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-6R!H-2R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-6R!H-2R!H + Total Standard Deviation in ln(k): 6.273176509644571"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 6.273176509644571""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 6.273176509644571 +""", +) + +entry( + index = 1690, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-6R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000200814,'m^3/(mol*s)'), n=2.87761, w0=(301000,'J/mol'), E0=(64324.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.012354355011285, var=2.3286734842382866, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-6R!H-2R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-6R!H-2R!H + Total Standard Deviation in ln(k): 5.602827982664648"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 5.602827982664648""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 5.602827982664648 +""", +) + +entry( + index = 1691, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.000119994,'m^3/(mol*s)'), n=3.02423, w0=(301000,'J/mol'), E0=(55145.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0003423109309216708, var=0.045546199540288, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 0.4287017288789084"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.4287017288789084""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.4287017288789084 +""", +) + +entry( + index = 1692, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-6R!H-2R!H", + kinetics = ArrheniusBM(A=(4.62622e-05,'m^3/(mol*s)'), n=3.11919, w0=(301000,'J/mol'), E0=(56963.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.00032901556546300383, var=0.050853267391956516, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-6R!H-2R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-6R!H-2R!H + Total Standard Deviation in ln(k): 0.4529078446038267"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 0.4529078446038267""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 0.4529078446038267 +""", +) + +entry( + index = 1693, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-6R!H-2R!H", + kinetics = ArrheniusBM(A=(5.44202e-06,'m^3/(mol*s)'), n=3.39497, w0=(301000,'J/mol'), E0=(57485,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.015248537994803517, var=0.004006253419047287, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-6R!H-2R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-6R!H-2R!H + Total Standard Deviation in ln(k): 0.16520255915287335"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 0.16520255915287335""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 0.16520255915287335 +""", +) + +entry( + index = 1694, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_N-2R!H->O_N-Sp-5R!H#4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(2.23185e-07,'m^3/(mol*s)'), n=3.8402, w0=(301000,'J/mol'), E0=(62795.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.0739951230271405, var=2.834847805191706, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_N-2R!H->O_N-Sp-5R!H#4R!H_4R!H-inRing',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_N-2R!H->O_N-Sp-5R!H#4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 6.073853917669341"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_N-2R!H->O_N-Sp-5R!H#4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 6.073853917669341""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_N-2R!H->O_N-Sp-5R!H#4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 6.073853917669341 +""", +) + +entry( + index = 1695, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_N-2R!H->O_N-Sp-5R!H#4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000673157,'m^3/(mol*s)'), n=2.81655, w0=(301000,'J/mol'), E0=(65438.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.808293550317888e-15, var=2.7536084015969795, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_N-2R!H->O_N-Sp-5R!H#4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_N-2R!H->O_N-Sp-5R!H#4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 3.32665741255466"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_N-2R!H->O_N-Sp-5R!H#4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 3.32665741255466""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_N-2R!H->O_N-Sp-5R!H#4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 3.32665741255466 +""", +) + +entry( + index = 1696, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(1.28027e-20,'m^3/(mol*s)'), n=7.37782, w0=(295000,'J/mol'), E0=(11717.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4410722324922941, var=2.2675055404457765, Tref=1000.0, N=14, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 14 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 4.126999630888452"""), + rank = 11, + shortDesc = """BM rule fitted to 14 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 4.126999630888452""", + longDesc = +""" +BM rule fitted to 14 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 4.126999630888452 +""", +) + +entry( + index = 1697, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(2.16847e-14,'m^3/(mol*s)'), n=5.58339, w0=(298789,'J/mol'), E0=(19586.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.5717299899557775, var=2.275503229246592, Tref=1000.0, N=19, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R',), comment="""BM rule fitted to 19 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R + Total Standard Deviation in ln(k): 6.973167327537874"""), + rank = 11, + shortDesc = """BM rule fitted to 19 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 6.973167327537874""", + longDesc = +""" +BM rule fitted to 19 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 6.973167327537874 +""", +) + +entry( + index = 1698, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(3.08649e-18,'m^3/(mol*s)'), n=6.73645, w0=(295000,'J/mol'), E0=(22427.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.55567406448505, var=0.3589747305392606, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R + Total Standard Deviation in ln(k): 2.597292988301135"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 2.597292988301135""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 2.597292988301135 +""", +) + +entry( + index = 1699, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(4.24124e-09,'m^3/(mol*s)'), n=3.81399, w0=(301000,'J/mol'), E0=(-5237.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1330364169857956, var=0.1762389351854742, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-3R-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-3R-R + Total Standard Deviation in ln(k): 1.1758666033810123"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 1.1758666033810123""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 1.1758666033810123 +""", +) + +entry( + index = 1700, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.000429,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(64384.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1701, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(1.97003e-16,'m^3/(mol*s)'), n=5.91389, w0=(301000,'J/mol'), E0=(3206.17,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.22683921273601784, var=2.291049879731345, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R + Total Standard Deviation in ln(k): 3.604357776021689"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.604357776021689""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.604357776021689 +""", +) + +entry( + index = 1702, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(5.96727e-17,'m^3/(mol*s)'), n=6.02631, w0=(301000,'J/mol'), E0=(8628.95,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.23572436170412303, var=1.1638441448219186, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-3R-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-3R-R + Total Standard Deviation in ln(k): 2.755012712842622"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 2.755012712842622""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 2.755012712842622 +""", +) + +entry( + index = 1703, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-6R!H-2R!H", + kinetics = ArrheniusBM(A=(0.00034,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(62368,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-6R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-6R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1704, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-6R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000366,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(71057.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-6R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-6R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1705, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-2R!H-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(1.61045e-13,'m^3/(mol*s)'), n=5.08674, w0=(301000,'J/mol'), E0=(12853.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.043555241365875845, var=2.279426753549597, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-2R!H-R_Ext-3R-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-2R!H-R_Ext-3R-R + Total Standard Deviation in ln(k): 3.136138299520019"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-2R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 3.136138299520019""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-2R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 3.136138299520019 +""", +) + +entry( + index = 1706, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(9.19923e-06,'m^3/(mol*s)'), n=2.87512, w0=(301000,'J/mol'), E0=(50477.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.017399575141798008, var=1.2447641152728173, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R + Total Standard Deviation in ln(k): 2.280380349330899"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 2.280380349330899""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 2.280380349330899 +""", +) + +entry( + index = 1707, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-3R-R_Sp-6R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000306,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(56577.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-3R-R_Sp-6R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-3R-R_Sp-6R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-3R-R_Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-3R-R_Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1708, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-3R-R_N-Sp-6R!H-2R!H", + kinetics = ArrheniusBM(A=(0.00033,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(63444.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-3R-R_N-Sp-6R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-3R-R_N-Sp-6R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-3R-R_N-Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-3R-R_N-Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1709, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.000201,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(47004.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1710, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing", + kinetics = ArrheniusBM(A=(2.3353e-12,'m^3/(mol*s)'), n=4.75059, w0=(301000,'J/mol'), E0=(18678.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.21639161789098954, var=0.4221778565085331, Tref=1000.0, N=24, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing',), comment="""BM rule fitted to 24 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing + Total Standard Deviation in ln(k): 1.8462784592284105"""), + rank = 11, + shortDesc = """BM rule fitted to 24 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing +Total Standard Deviation in ln(k): 1.8462784592284105""", + longDesc = +""" +BM rule fitted to 24 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing +Total Standard Deviation in ln(k): 1.8462784592284105 +""", +) + +entry( + index = 1711, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing", + kinetics = ArrheniusBM(A=(0.000191789,'m^3/(mol*s)'), n=2.68831, w0=(301000,'J/mol'), E0=(50228.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.021852063695628202, var=0.48796730555887285, Tref=1000.0, N=60, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing',), comment="""BM rule fitted to 60 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing + Total Standard Deviation in ln(k): 1.455305487693672"""), + rank = 11, + shortDesc = """BM rule fitted to 60 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing +Total Standard Deviation in ln(k): 1.455305487693672""", + longDesc = +""" +BM rule fitted to 60 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing +Total Standard Deviation in ln(k): 1.455305487693672 +""", +) + +entry( + index = 1712, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(2.24809e-12,'m^3/(mol*s)'), n=4.85611, w0=(301000,'J/mol'), E0=(8415.76,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.28595149900574346, var=0.29046475901397245, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3R-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3R-R + Total Standard Deviation in ln(k): 1.7989187144437893"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 1.7989187144437893""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 1.7989187144437893 +""", +) + +entry( + index = 1713, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.000374836,'m^3/(mol*s)'), n=2.5969, w0=(301000,'J/mol'), E0=(55783,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.009817899837851274, var=0.11010524160533643, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 0.6898814862180953"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.6898814862180953""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.6898814862180953 +""", +) + +entry( + index = 1714, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(6.41664e-13,'m^3/(mol*s)'), n=4.98239, w0=(301000,'J/mol'), E0=(11375.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.24435288481649514, var=0.41095314757578694, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R + Total Standard Deviation in ln(k): 1.8990999727562528"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 1.8990999727562528""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 1.8990999727562528 +""", +) + +entry( + index = 1715, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Sp-7R!H-2R!H", + kinetics = ArrheniusBM(A=(0.00237301,'m^3/(mol*s)'), n=2.3278, w0=(301000,'J/mol'), E0=(53541.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.013051004894992417, var=0.15272295141224324, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Sp-7R!H-2R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Sp-7R!H-2R!H + Total Standard Deviation in ln(k): 0.81623760674037"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 0.81623760674037""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 0.81623760674037 +""", +) + +entry( + index = 1716, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_N-Sp-7R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000145645,'m^3/(mol*s)'), n=2.73721, w0=(301000,'J/mol'), E0=(61665.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.01430811691985601, var=0.33488169402818113, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_N-Sp-7R!H-2R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_N-Sp-7R!H-2R!H + Total Standard Deviation in ln(k): 1.1960694533650262"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_N-Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 1.1960694533650262""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_N-Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 1.1960694533650262 +""", +) + +entry( + index = 1717, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.000890628,'m^3/(mol*s)'), n=2.46842, w0=(301000,'J/mol'), E0=(58829.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.013801865434044618, var=0.10366226656256176, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R + Total Standard Deviation in ln(k): 0.6801350902848996"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.6801350902848996""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.6801350902848996 +""", +) + +entry( + index = 1718, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(9.76662e-05,'m^3/(mol*s)'), n=2.80573, w0=(301000,'J/mol'), E0=(66827.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.00980101905010996, var=0.40463180030081203, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.2998511952755314"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.2998511952755314""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.2998511952755314 +""", +) + +entry( + index = 1719, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C_Ext-3C-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.0166284,'m^3/(mol*s)'), n=2.08057, w0=(301000,'J/mol'), E0=(49592.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.016291660982927485, var=0.16310876728914256, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C_Ext-3C-R_Ext-3C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C_Ext-3C-R_Ext-3C-R + Total Standard Deviation in ln(k): 0.850580693206407"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 0.850580693206407""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 0.850580693206407 +""", +) + +entry( + index = 1720, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C_Ext-3C-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.00523994,'m^3/(mol*s)'), n=2.23741, w0=(301000,'J/mol'), E0=(56534.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.004764131526992884, var=0.1632591439593892, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C_Ext-3C-R_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C_Ext-3C-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 0.8219901887230908"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C_Ext-3C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.8219901887230908""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C_Ext-3C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.8219901887230908 +""", +) + +entry( + index = 1721, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.00143,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(59770.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1722, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C_Ext-5R!H-R_Sp-7R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000674,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(57858.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C_Ext-5R!H-R_Sp-7R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C_Ext-5R!H-R_Sp-7R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C_Ext-5R!H-R_Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C_Ext-5R!H-R_Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1723, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C_Ext-5R!H-R_N-Sp-7R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000712,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(55245.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C_Ext-5R!H-R_N-Sp-7R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C_Ext-5R!H-R_N-Sp-7R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C_Ext-5R!H-R_N-Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C_Ext-5R!H-R_N-Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1724, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(5.66718e-09,'m^3/(mol*s)'), n=3.87473, w0=(301000,'J/mol'), E0=(25482,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10181860580144701, var=0.3037854999577479, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R + Total Standard Deviation in ln(k): 1.3607702578029408"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R +Total Standard Deviation in ln(k): 1.3607702578029408""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R +Total Standard Deviation in ln(k): 1.3607702578029408 +""", +) + +entry( + index = 1725, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(2.81702e-05,'m^3/(mol*s)'), n=2.91353, w0=(301000,'J/mol'), E0=(62317.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.2505250032600006, var=3.428703822270098, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-5R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 6.854142349355659"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 6.854142349355659""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 6.854142349355659 +""", +) + +entry( + index = 1726, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(3.1808e-09,'m^3/(mol*s)'), n=3.86673, w0=(301000,'J/mol'), E0=(26578.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08640089180218684, var=0.3442298822996565, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R_Ext-5R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.3932879346779303"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.3932879346779303""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.3932879346779303 +""", +) + +entry( + index = 1727, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.000223,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(45498.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1728, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.00606798,'m^3/(mol*s)'), n=2.3516, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.005533579321889549, var=0.19796909831788467, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R_Ext-5R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 0.9058846470134664"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.9058846470134664""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.9058846470134664 +""", +) + +entry( + index = 1729, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.00236,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1730, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00524,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1731, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00578,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1732, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_Sp-8R!H=5R!H_Sp-6R!H-2C", + kinetics = ArrheniusBM(A=(0.000801,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(36289.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_Sp-8R!H=5R!H_Sp-6R!H-2C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_Sp-8R!H=5R!H_Sp-6R!H-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_Sp-8R!H=5R!H_Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_Sp-8R!H=5R!H_Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1733, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_Sp-8R!H=5R!H_N-Sp-6R!H-2C", + kinetics = ArrheniusBM(A=(0.000862,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(44334.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_Sp-8R!H=5R!H_N-Sp-6R!H-2C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_Sp-8R!H=5R!H_N-Sp-6R!H-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_Sp-8R!H=5R!H_N-Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_Sp-8R!H=5R!H_N-Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1734, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_N-Sp-8R!H=5R!H_Sp-6R!H-2C", + kinetics = ArrheniusBM(A=(0.000884,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(37291.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_N-Sp-8R!H=5R!H_Sp-6R!H-2C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_N-Sp-8R!H=5R!H_Sp-6R!H-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_N-Sp-8R!H=5R!H_Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_N-Sp-8R!H=5R!H_Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1735, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_N-Sp-8R!H=5R!H_N-Sp-6R!H-2C", + kinetics = ArrheniusBM(A=(0.000951,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(51986.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_N-Sp-8R!H=5R!H_N-Sp-6R!H-2C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_N-Sp-8R!H=5R!H_N-Sp-6R!H-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_N-Sp-8R!H=5R!H_N-Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_N-Sp-8R!H=5R!H_N-Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1736, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00101,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(32807.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1737, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_N-Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00111,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(33785.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_N-Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_N-Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1738, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Ext-6R!H-R_5R!H-inRing_Ext-2CO-R_Ext-3R-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.000985,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(40373,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Ext-6R!H-R_5R!H-inRing_Ext-2CO-R_Ext-3R-R_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Ext-6R!H-R_5R!H-inRing_Ext-2CO-R_Ext-3R-R_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Ext-6R!H-R_5R!H-inRing_Ext-2CO-R_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Ext-6R!H-R_5R!H-inRing_Ext-2CO-R_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1739, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-2CO-R_Ext-7R!H-R_Ext-3R-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.00492,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-2CO-R_Ext-7R!H-R_Ext-3R-R_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-2CO-R_Ext-7R!H-R_Ext-3R-R_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-2CO-R_Ext-7R!H-R_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-2CO-R_Ext-7R!H-R_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1740, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-2CO-R_Ext-3R-R_Ext-3R-R_Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00161,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(26868.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-2CO-R_Ext-3R-R_Ext-3R-R_Sp-6R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-2CO-R_Ext-3R-R_Ext-3R-R_Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-2CO-R_Ext-3R-R_Ext-3R-R_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-2CO-R_Ext-3R-R_Ext-3R-R_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1741, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-2CO-R_Ext-3R-R_Ext-3R-R_N-Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00189,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(25988,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-2CO-R_Ext-3R-R_Ext-3R-R_N-Sp-6R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-2CO-R_Ext-3R-R_Ext-3R-R_N-Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-2CO-R_Ext-3R-R_Ext-3R-R_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_N-2R!H->S_1R!H->C_Sp-4C-3R_Ext-2CO-R_Ext-5R!H-R_Sp-2CO=1C_Ext-2CO-R_Ext-3R-R_Ext-3R-R_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1742, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(2.96101e-07,'m^3/(mol*s)'), n=3.51383, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10459456017379222, var=1.7224951831476576, Tref=1000.0, N=28, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R',), comment="""BM rule fitted to 28 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 2.8938921805106363"""), + rank = 11, + shortDesc = """BM rule fitted to 28 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 2.8938921805106363""", + longDesc = +""" +BM rule fitted to 28 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 2.8938921805106363 +""", +) + +entry( + index = 1743, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(5.038e-13,'m^3/(mol*s)'), n=5.16209, w0=(301000,'J/mol'), E0=(30771.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12432132324619213, var=0.5141864580388806, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R + Total Standard Deviation in ln(k): 1.7498964243669013"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 1.7498964243669013""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 1.7498964243669013 +""", +) + +entry( + index = 1744, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-2C-R", + kinetics = ArrheniusBM(A=(5.49924e-10,'m^3/(mol*s)'), n=4.31037, w0=(301000,'J/mol'), E0=(24344.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.9650676555288178, var=0.6737595529095817, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-2C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-2C-R + Total Standard Deviation in ln(k): 6.58289975936311"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-2C-R +Total Standard Deviation in ln(k): 6.58289975936311""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-2C-R +Total Standard Deviation in ln(k): 6.58289975936311 +""", +) + +entry( + index = 1745, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(2.01026e-11,'m^3/(mol*s)'), n=4.65833, w0=(301000,'J/mol'), E0=(22545.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=2.3248680132665074, var=0.041263428990766356, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-3R-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-3R-R + Total Standard Deviation in ln(k): 6.248606807679574"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-3R-R +Total Standard Deviation in ln(k): 6.248606807679574""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-3R-R +Total Standard Deviation in ln(k): 6.248606807679574 +""", +) + +entry( + index = 1746, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Sp-6R!H-2C", + kinetics = ArrheniusBM(A=(0.00257,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Sp-6R!H-2C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Sp-6R!H-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1747, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_N-Sp-6R!H-2C", + kinetics = ArrheniusBM(A=(0.00277,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_N-Sp-6R!H-2C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_N-Sp-6R!H-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_N-Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_N-Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1748, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-1R!H-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.00121,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(65042.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-1R!H-R_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-1R!H-R_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-1R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-1R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1749, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(3325.25,'m^3/(mol*s)'), n=0.782915, w0=(301000,'J/mol'), E0=(78885.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1658467798945189, var=0.9256244791549403, Tref=1000.0, N=56, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R',), comment="""BM rule fitted to 56 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 2.3454436397208864"""), + rank = 11, + shortDesc = """BM rule fitted to 56 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 2.3454436397208864""", + longDesc = +""" +BM rule fitted to 56 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 2.3454436397208864 +""", +) + +entry( + index = 1750, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R", + kinetics = ArrheniusBM(A=(0.0049212,'m^3/(mol*s)'), n=2.44429, w0=(301000,'J/mol'), E0=(56864.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0008226939136252139, var=0.16545469999427673, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R + Total Standard Deviation in ln(k): 0.8175155803846231"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R +Total Standard Deviation in ln(k): 0.8175155803846231""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R +Total Standard Deviation in ln(k): 0.8175155803846231 +""", +) + +entry( + index = 1751, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(1.28984e-10,'m^3/(mol*s)'), n=4.53395, w0=(301000,'J/mol'), E0=(25447.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.20178275559545208, var=0.18962166754252133, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R + Total Standard Deviation in ln(k): 1.3799651666967239"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R +Total Standard Deviation in ln(k): 1.3799651666967239""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R +Total Standard Deviation in ln(k): 1.3799651666967239 +""", +) + +entry( + index = 1752, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Sp-7R!H-2C", + kinetics = ArrheniusBM(A=(1.19413e-09,'m^3/(mol*s)'), n=4.31889, w0=(301000,'J/mol'), E0=(18438.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1808789928574372, var=0.21215196449346224, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Sp-7R!H-2C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Sp-7R!H-2C + Total Standard Deviation in ln(k): 1.377849947237672"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Sp-7R!H-2C +Total Standard Deviation in ln(k): 1.377849947237672""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Sp-7R!H-2C +Total Standard Deviation in ln(k): 1.377849947237672 +""", +) + +entry( + index = 1753, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_N-Sp-7R!H-2C", + kinetics = ArrheniusBM(A=(0.000274174,'m^3/(mol*s)'), n=2.86834, w0=(301000,'J/mol'), E0=(67483.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09695563838335129, var=0.3799436672375423, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_N-Sp-7R!H-2C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_N-Sp-7R!H-2C + Total Standard Deviation in ln(k): 1.4793172263920398"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_N-Sp-7R!H-2C +Total Standard Deviation in ln(k): 1.4793172263920398""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_N-Sp-7R!H-2C +Total Standard Deviation in ln(k): 1.4793172263920398 +""", +) + +entry( + index = 1754, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.0197095,'m^3/(mol*s)'), n=2.22249, w0=(301000,'J/mol'), E0=(60209,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0002640725448520978, var=0.27242242932923544, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.0470169718452758"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.0470169718452758""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.0470169718452758 +""", +) + +entry( + index = 1755, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.00961,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(60461.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1756, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R_Sp-7R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00454,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(61079.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R_Sp-7R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R_Sp-7R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R_Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R_Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1757, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R_N-Sp-7R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00479,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(58272.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R_N-Sp-7R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R_N-Sp-7R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R_N-Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R_N-Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1758, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing", + kinetics = ArrheniusBM(A=(8.71947e-06,'m^3/(mol*s)'), n=3.14971, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07009200715542166, var=0.4167150448582328, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing + Total Standard Deviation in ln(k): 1.4702366212250748"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing +Total Standard Deviation in ln(k): 1.4702366212250748""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing +Total Standard Deviation in ln(k): 1.4702366212250748 +""", +) + +entry( + index = 1759, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing", + kinetics = ArrheniusBM(A=(0.0986191,'m^3/(mol*s)'), n=2.12839, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.026684145541297926, var=0.6604659383343907, Tref=1000.0, N=30, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing',), comment="""BM rule fitted to 30 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing + Total Standard Deviation in ln(k): 1.6962748546704807"""), + rank = 11, + shortDesc = """BM rule fitted to 30 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing +Total Standard Deviation in ln(k): 1.6962748546704807""", + longDesc = +""" +BM rule fitted to 30 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing +Total Standard Deviation in ln(k): 1.6962748546704807 +""", +) + +entry( + index = 1760, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R", + kinetics = ArrheniusBM(A=(0.00219971,'m^3/(mol*s)'), n=2.58493, w0=(301000,'J/mol'), E0=(52831.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.014625325410006343, var=0.1164542975518064, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R + Total Standard Deviation in ln(k): 0.7208709276616239"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R +Total Standard Deviation in ln(k): 0.7208709276616239""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R +Total Standard Deviation in ln(k): 0.7208709276616239 +""", +) + +entry( + index = 1761, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R", + kinetics = ArrheniusBM(A=(4.19322e-08,'m^3/(mol*s)'), n=3.85698, w0=(301000,'J/mol'), E0=(20824.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12623891992037847, var=0.2882475768511251, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R + Total Standard Deviation in ln(k): 1.3934992793726384"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R +Total Standard Deviation in ln(k): 1.3934992793726384""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R +Total Standard Deviation in ln(k): 1.3934992793726384 +""", +) + +entry( + index = 1762, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(7.23009e-05,'m^3/(mol*s)'), n=3.05263, w0=(301000,'J/mol'), E0=(52182.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.01576483154027459, var=0.07554883736927255, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R + Total Standard Deviation in ln(k): 0.5906345951277134"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.5906345951277134""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.5906345951277134 +""", +) + +entry( + index = 1763, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Sp-6R!H-2C", + kinetics = ArrheniusBM(A=(0.0069,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Sp-6R!H-2C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Sp-6R!H-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1764, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_N-Sp-6R!H-2C", + kinetics = ArrheniusBM(A=(0.00742,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_N-Sp-6R!H-2C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_N-Sp-6R!H-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_N-Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_N-Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1765, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-2C-R", + kinetics = ArrheniusBM(A=(1.65952e-05,'m^3/(mol*s)'), n=3.33707, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.9586321296168898, var=0.6748565525399707, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-2C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-2C-R + Total Standard Deviation in ln(k): 4.055506355457949"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-2C-R +Total Standard Deviation in ln(k): 4.055506355457949""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-2C-R +Total Standard Deviation in ln(k): 4.055506355457949 +""", +) + +entry( + index = 1766, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.0162,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1767, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(1.77121e-06,'m^3/(mol*s)'), n=3.42433, w0=(301000,'J/mol'), E0=(42676.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.9352530274602155, var=0.7381680769791444, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 4.07228436772224"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 4.07228436772224""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 4.07228436772224 +""", +) + +entry( + index = 1768, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00905,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-6R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1769, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00998,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1770, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_5R!H-inRing_Ext-2C-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.00592,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_5R!H-inRing_Ext-2C-R_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_5R!H-inRing_Ext-2C-R_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_5R!H-inRing_Ext-2C-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_5R!H-inRing_Ext-2C-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1771, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(1796.53,'m^3/(mol*s)'), n=1.07901, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.3763050738519533, var=0.6754890292113201, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-7R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 5.10570741354248"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 5.10570741354248""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 5.10570741354248 +""", +) + +entry( + index = 1772, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(14.5994,'m^3/(mol*s)'), n=1.5097, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.9309550865045911, var=0.026527044468524413, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-3R-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-3R-R + Total Standard Deviation in ln(k): 2.6655968423073855"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-3R-R +Total Standard Deviation in ln(k): 2.6655968423073855""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-3R-R +Total Standard Deviation in ln(k): 2.6655968423073855 +""", +) + +entry( + index = 1773, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(0.0183,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-6R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1774, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R_N-Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(0.0214,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R_N-Sp-6R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R_N-Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1775, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Sp-6R!H=5R!H_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.00855,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Sp-6R!H=5R!H_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Sp-6R!H=5R!H_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Sp-6R!H=5R!H_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Sp-6R!H=5R!H_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1776, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_N-Sp-6R!H=5R!H_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.0111,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_N-Sp-6R!H=5R!H_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_N-Sp-6R!H=5R!H_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_N-Sp-6R!H=5R!H_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_N-Sp-6R!H=5R!H_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1777, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(3.75574e-06,'m^3/(mol*s)'), n=3.32734, w0=(289500,'J/mol'), E0=(28950,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.9485677503033265, var=0.6782376244203717, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 4.034339307092759"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 4.034339307092759""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 4.034339307092759 +""", +) + +entry( + index = 1778, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(3.50129e-05,'m^3/(mol*s)'), n=3.17648, w0=(289500,'J/mol'), E0=(28950,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.7925698709430977, var=0.6642928977448109, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 3.6253241785826984"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 3.6253241785826984""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 3.6253241785826984 +""", +) + +entry( + index = 1779, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.000463571,'m^3/(mol*s)'), n=3.04995, w0=(289500,'J/mol'), E0=(28950,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.6617329398667767, var=0.6763336147413106, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 3.3113297774708133"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 3.3113297774708133""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 3.3113297774708133 +""", +) + +entry( + index = 1780, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00415011,'m^3/(mol*s)'), n=2.90395, w0=(289500,'J/mol'), E0=(28950,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.51076725016333, var=0.6784149554139033, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 2.9345538707722243"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 2.9345538707722243""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 2.9345538707722243 +""", +) + +entry( + index = 1781, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R_Ext-10R!H-R", + kinetics = ArrheniusBM(A=(0.013,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R_Ext-10R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R_Ext-10R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1782, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R_Sp-9R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00427,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(71057.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R_Sp-9R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R_Sp-9R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R_Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R_Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1783, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R_N-Sp-9R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00499,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(71101.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R_N-Sp-9R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R_N-Sp-9R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R_N-Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R_N-Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1784, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(0.000812372,'m^3/(mol*s)'), n=2.72914, w0=(301000,'J/mol'), E0=(73021.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.004315194526595387, var=0.19614321214111982, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R + Total Standard Deviation in ln(k): 0.898700440178788"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 0.898700440178788""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 0.898700440178788 +""", +) + +entry( + index = 1785, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(0.0090887,'m^3/(mol*s)'), n=2.30742, w0=(301000,'J/mol'), E0=(74015.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.006272559452032157, var=0.27058218306036036, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-4R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-4R!H-R + Total Standard Deviation in ln(k): 1.0585735622517747"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-4R!H-R +Total Standard Deviation in ln(k): 1.0585735622517747""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-4R!H-R +Total Standard Deviation in ln(k): 1.0585735622517747 +""", +) + +entry( + index = 1786, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(2.19342e-08,'m^3/(mol*s)'), n=4.18303, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.16800555082172502, var=0.32298174667894297, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-4R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-4R!H-R + Total Standard Deviation in ln(k): 1.5614451754574983"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 1.5614451754574983""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 1.5614451754574983 +""", +) + +entry( + index = 1787, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(1.72878e-10,'m^3/(mol*s)'), n=4.71673, w0=(301000,'J/mol'), E0=(21725.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.1928308954924172, var=2.212830837805108, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 5.979223624622543"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 5.979223624622543""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 5.979223624622543 +""", +) + +entry( + index = 1788, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Sp-9R!H=4R!H", + kinetics = ArrheniusBM(A=(6.24551e-05,'m^3/(mol*s)'), n=3.07328, w0=(301000,'J/mol'), E0=(58239.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=6.990464407259395e-05, var=0.041687752375562236, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Sp-9R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Sp-9R!H=4R!H + Total Standard Deviation in ln(k): 0.40949400382082946"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Sp-9R!H=4R!H +Total Standard Deviation in ln(k): 0.40949400382082946""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Sp-9R!H=4R!H +Total Standard Deviation in ln(k): 0.40949400382082946 +""", +) + +entry( + index = 1789, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_N-Sp-9R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00020723,'m^3/(mol*s)'), n=2.95465, w0=(301000,'J/mol'), E0=(59237.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=7.333728391299281e-05, var=0.04213007888348944, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_N-Sp-9R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_N-Sp-9R!H=4R!H + Total Standard Deviation in ln(k): 0.41166842810040155"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_N-Sp-9R!H=4R!H +Total Standard Deviation in ln(k): 0.41166842810040155""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_N-Sp-9R!H=4R!H +Total Standard Deviation in ln(k): 0.41166842810040155 +""", +) + +entry( + index = 1790, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-4R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.0158,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(64382.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-4R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-4R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-4R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-4R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1791, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-4R!H-R_Sp-8R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00748,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(63954.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-4R!H-R_Sp-8R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-4R!H-R_Sp-8R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-4R!H-R_Sp-8R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-4R!H-R_Sp-8R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1792, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-4R!H-R_N-Sp-8R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0079,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(61141.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-4R!H-R_N-Sp-8R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-4R!H-R_N-Sp-8R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-4R!H-R_N-Sp-8R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-4R!H-R_N-Sp-8R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1793, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-4R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.0205,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(64821.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-4R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-4R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-4R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-4R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1794, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-4R!H-R_Sp-8R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0097,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(64143.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-4R!H-R_Sp-8R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-4R!H-R_Sp-8R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-4R!H-R_Sp-8R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-4R!H-R_Sp-8R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1795, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-4R!H-R_N-Sp-8R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0102,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(61688,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-4R!H-R_N-Sp-8R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-4R!H-R_N-Sp-8R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-4R!H-R_N-Sp-8R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-4R!H-R_N-Sp-8R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1796, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-2R!H-R_Ext-4R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.0177,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(63380.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-2R!H-R_Ext-4R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-2R!H-R_Ext-4R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-2R!H-R_Ext-4R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-2R!H-R_Ext-4R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1797, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-2R!H-R_Ext-4R!H-R_Sp-8R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00838,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(61515.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-2R!H-R_Ext-4R!H-R_Sp-8R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-2R!H-R_Ext-4R!H-R_Sp-8R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-2R!H-R_Ext-4R!H-R_Sp-8R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-2R!H-R_Ext-4R!H-R_Sp-8R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1798, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-2R!H-R_Ext-4R!H-R_N-Sp-8R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00885,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(58933.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-2R!H-R_Ext-4R!H-R_N-Sp-8R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-2R!H-R_Ext-4R!H-R_N-Sp-8R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-2R!H-R_Ext-4R!H-R_N-Sp-8R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-2R!H-R_Ext-4R!H-R_N-Sp-8R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1799, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-2R!H->O_N-1R!H-inRing_Ext-4R!H-R_Ext-6R!H-R_N-4R!H-inRing_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.003292,'m^3/(mol*s)'), n=2.35, w0=(301000,'J/mol'), E0=(80831.6,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-2R!H->O_N-1R!H-inRing_Ext-4R!H-R_Ext-6R!H-R_N-4R!H-inRing_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-2R!H->O_N-1R!H-inRing_Ext-4R!H-R_Ext-6R!H-R_N-4R!H-inRing_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-2R!H->O_N-1R!H-inRing_Ext-4R!H-R_Ext-6R!H-R_N-4R!H-inRing_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-2R!H->O_N-1R!H-inRing_Ext-4R!H-R_Ext-6R!H-R_N-4R!H-inRing_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1800, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_5R!H-inRing", + kinetics = ArrheniusBM(A=(2.38779e-17,'m^3/(mol*s)'), n=6.67563, w0=(290500,'J/mol'), E0=(23196.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.45054917517463383, var=0.5593326681735107, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_5R!H-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_5R!H-inRing + Total Standard Deviation in ln(k): 2.6313453282288473"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_5R!H-inRing +Total Standard Deviation in ln(k): 2.6313453282288473""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_5R!H-inRing +Total Standard Deviation in ln(k): 2.6313453282288473 +""", +) + +entry( + index = 1801, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-5R!H-inRing", + kinetics = ArrheniusBM(A=(0.0182038,'m^3/(mol*s)'), n=2.29271, w0=(301000,'J/mol'), E0=(74261.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.03268402898019619, var=0.12406047427768012, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-5R!H-inRing',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-5R!H-inRing + Total Standard Deviation in ln(k): 0.7882328641215743"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-5R!H-inRing +Total Standard Deviation in ln(k): 0.7882328641215743""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-5R!H-inRing +Total Standard Deviation in ln(k): 0.7882328641215743 +""", +) + +entry( + index = 1802, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_N-Sp-6R!H-=4R!H_Int-6R!H-5R!H_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(4.09174e-08,'m^3/(mol*s)'), n=4.19515, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.23593648778086, var=2.0082292744692527, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_N-Sp-6R!H-=4R!H_Int-6R!H-5R!H_Ext-4R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_N-Sp-6R!H-=4R!H_Int-6R!H-5R!H_Ext-4R!H-R + Total Standard Deviation in ln(k): 5.946318359995559"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_N-Sp-6R!H-=4R!H_Int-6R!H-5R!H_Ext-4R!H-R +Total Standard Deviation in ln(k): 5.946318359995559""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_N-Sp-6R!H-=4R!H_Int-6R!H-5R!H_Ext-4R!H-R +Total Standard Deviation in ln(k): 5.946318359995559 +""", +) + +entry( + index = 1803, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_N-Sp-6R!H-=4R!H_Int-6R!H-5R!H_Sp-6R!H-4R!H", + kinetics = ArrheniusBM(A=(3.29469e-07,'m^3/(mol*s)'), n=3.56183, w0=(301000,'J/mol'), E0=(15153.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.14930677051146451, var=4.044844309188931, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_N-Sp-6R!H-=4R!H_Int-6R!H-5R!H_Sp-6R!H-4R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_N-Sp-6R!H-=4R!H_Int-6R!H-5R!H_Sp-6R!H-4R!H + Total Standard Deviation in ln(k): 4.407025391918718"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_N-Sp-6R!H-=4R!H_Int-6R!H-5R!H_Sp-6R!H-4R!H +Total Standard Deviation in ln(k): 4.407025391918718""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_N-Sp-6R!H-=4R!H_Int-6R!H-5R!H_Sp-6R!H-4R!H +Total Standard Deviation in ln(k): 4.407025391918718 +""", +) + +entry( + index = 1804, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_N-Sp-6R!H-=4R!H_Int-6R!H-5R!H_N-Sp-6R!H-4R!H", + kinetics = ArrheniusBM(A=(0.001235,'m^3/(mol*s)'), n=2.88, w0=(301000,'J/mol'), E0=(30100,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_N-Sp-6R!H-=4R!H_Int-6R!H-5R!H_N-Sp-6R!H-4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_N-Sp-6R!H-=4R!H_Int-6R!H-5R!H_N-Sp-6R!H-4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_N-Sp-6R!H-=4R!H_Int-6R!H-5R!H_N-Sp-6R!H-4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_N-Sp-6R!H-=4R!H_Int-6R!H-5R!H_N-Sp-6R!H-4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1805, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_5R!H-inRing_Ext-2R!H-R_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(0.000120203,'m^3/(mol*s)'), n=3.00558, w0=(301000,'J/mol'), E0=(66505,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=2.6494466515733057, var=0.11994033180071871, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_5R!H-inRing_Ext-2R!H-R_Ext-4R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_5R!H-inRing_Ext-2R!H-R_Ext-4R!H-R + Total Standard Deviation in ln(k): 7.351189060034231"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_5R!H-inRing_Ext-2R!H-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 7.351189060034231""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_5R!H-inRing_Ext-2R!H-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 7.351189060034231 +""", +) + +entry( + index = 1806, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_5R!H-inRing_Ext-4R!H-R_Sp-6R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00487,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(68611.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_5R!H-inRing_Ext-4R!H-R_Sp-6R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_5R!H-inRing_Ext-4R!H-R_Sp-6R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_5R!H-inRing_Ext-4R!H-R_Sp-6R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_5R!H-inRing_Ext-4R!H-R_Sp-6R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1807, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_5R!H-inRing_Ext-4R!H-R_N-Sp-6R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00537,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_5R!H-inRing_Ext-4R!H-R_N-Sp-6R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_5R!H-inRing_Ext-4R!H-R_N-Sp-6R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_5R!H-inRing_Ext-4R!H-R_N-Sp-6R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_5R!H-inRing_Ext-4R!H-R_N-Sp-6R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1808, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.03241,'m^3/(mol*s)'), n=2.171, w0=(301000,'J/mol'), E0=(61660.2,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1809, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.321493,'m^3/(mol*s)'), n=2.12017, w0=(301000,'J/mol'), E0=(69854.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.051431728600910324, var=0.17174642263638226, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R + Total Standard Deviation in ln(k): 0.9600337730171588"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.9600337730171588""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.9600337730171588 +""", +) + +entry( + index = 1810, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(1.11481e-05,'m^3/(mol*s)'), n=3.34051, w0=(301000,'J/mol'), E0=(51202.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.05371197606430503, var=0.10314127333094918, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-4R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-4R!H-R + Total Standard Deviation in ln(k): 0.7787877149781441"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 0.7787877149781441""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 0.7787877149781441 +""", +) + +entry( + index = 1811, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(0.0113,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Sp-6R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1812, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(0.0147,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1813, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Sp-4R!H-1R!H_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(0.000125688,'m^3/(mol*s)'), n=3.02893, w0=(301000,'J/mol'), E0=(56275.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.00104492520081873, var=0.08257286985033722, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Sp-4R!H-1R!H_Ext-4R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Sp-4R!H-1R!H_Ext-4R!H-R + Total Standard Deviation in ln(k): 0.5786959970637459"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Sp-4R!H-1R!H_Ext-4R!H-R +Total Standard Deviation in ln(k): 0.5786959970637459""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Sp-4R!H-1R!H_Ext-4R!H-R +Total Standard Deviation in ln(k): 0.5786959970637459 +""", +) + +entry( + index = 1814, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Sp-4R!H-1R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.0127,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(63843.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Sp-4R!H-1R!H_Ext-2R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Sp-4R!H-1R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Sp-4R!H-1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Sp-4R!H-1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1815, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_N-Sp-4R!H-1R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.0573,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_N-Sp-4R!H-1R!H_Ext-2R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_N-Sp-4R!H-1R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_N-Sp-4R!H-1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_N-Sp-4R!H-1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1816, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_N-Sp-5R!H-2R!H_N-1R!H-inRing_N-4R!H-inRing_Ext-4R!H-R_Sp-6R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0143,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(67289.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_N-Sp-5R!H-2R!H_N-1R!H-inRing_N-4R!H-inRing_Ext-4R!H-R_Sp-6R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_N-Sp-5R!H-2R!H_N-1R!H-inRing_N-4R!H-inRing_Ext-4R!H-R_Sp-6R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_N-Sp-5R!H-2R!H_N-1R!H-inRing_N-4R!H-inRing_Ext-4R!H-R_Sp-6R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_N-Sp-5R!H-2R!H_N-1R!H-inRing_N-4R!H-inRing_Ext-4R!H-R_Sp-6R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1817, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_N-Sp-5R!H-2R!H_N-1R!H-inRing_N-4R!H-inRing_Ext-4R!H-R_N-Sp-6R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0158,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(75476.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_N-Sp-5R!H-2R!H_N-1R!H-inRing_N-4R!H-inRing_Ext-4R!H-R_N-Sp-6R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_N-Sp-5R!H-2R!H_N-1R!H-inRing_N-4R!H-inRing_Ext-4R!H-R_N-Sp-6R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_N-Sp-5R!H-2R!H_N-1R!H-inRing_N-4R!H-inRing_Ext-4R!H-R_N-Sp-6R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_N-Sp-5R!H-2R!H_N-1R!H-inRing_N-4R!H-inRing_Ext-4R!H-R_N-Sp-6R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1818, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_4R!H-u0_4R!H->C_Sp-4C-1R!H_N-4C-inRing_Ext-4C-R", + kinetics = ArrheniusBM(A=(1.10015e-18,'m^3/(mol*s)'), n=6.79038, w0=(301000,'J/mol'), E0=(-7043.73,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09596410618941911, var=25.458507610741698, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_4R!H-u0_4R!H->C_Sp-4C-1R!H_N-4C-inRing_Ext-4C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_4R!H-u0_4R!H->C_Sp-4C-1R!H_N-4C-inRing_Ext-4C-R + Total Standard Deviation in ln(k): 10.356292227864996"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_4R!H-u0_4R!H->C_Sp-4C-1R!H_N-4C-inRing_Ext-4C-R +Total Standard Deviation in ln(k): 10.356292227864996""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_4R!H-u0_4R!H->C_Sp-4C-1R!H_N-4C-inRing_Ext-4C-R +Total Standard Deviation in ln(k): 10.356292227864996 +""", +) + +entry( + index = 1819, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_Sp-5R!H-4R!H_5R!H->C", + kinetics = ArrheniusBM(A=(0.0006075,'m^3/(mol*s)'), n=2.969, w0=(301000,'J/mol'), E0=(69722.9,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_Sp-5R!H-4R!H_5R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_Sp-5R!H-4R!H_5R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_Sp-5R!H-4R!H_5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_Sp-5R!H-4R!H_5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1820, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_Sp-5R!H-4R!H_N-5R!H->C", + kinetics = ArrheniusBM(A=(0.532,'m^3/(mol*s)'), n=1.85, w0=(301000,'J/mol'), E0=(65020.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_Sp-5R!H-4R!H_N-5R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_Sp-5R!H-4R!H_N-5R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_Sp-5R!H-4R!H_N-5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_Sp-5R!H-4R!H_N-5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1821, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_N-Sp-5R!H-4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(3.1701e-07,'m^3/(mol*s)'), n=3.69466, w0=(301000,'J/mol'), E0=(10365.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11864641643084245, var=4.430747117612284, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_N-Sp-5R!H-4R!H_4R!H-inRing',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_N-Sp-5R!H-4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 4.517941586611053"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_N-Sp-5R!H-4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 4.517941586611053""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_N-Sp-5R!H-4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 4.517941586611053 +""", +) + +entry( + index = 1822, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(9.59591e-06,'m^3/(mol*s)'), n=3.42905, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09656100659199945, var=0.88598777536662, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 2.1296110499071976"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 2.1296110499071976""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 2.1296110499071976 +""", +) + +entry( + index = 1823, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-Sp-2CNO=1CCNNO_N-4R!H-inRing_Ext-4R!H-R_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0217,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(28950,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-Sp-2CNO=1CCNNO_N-4R!H-inRing_Ext-4R!H-R_Sp-5R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-Sp-2CNO=1CCNNO_N-4R!H-inRing_Ext-4R!H-R_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-Sp-2CNO=1CCNNO_N-4R!H-inRing_Ext-4R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-Sp-2CNO=1CCNNO_N-4R!H-inRing_Ext-4R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1824, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-Sp-2CNO=1CCNNO_N-4R!H-inRing_Ext-4R!H-R_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.289,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(28950,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-Sp-2CNO=1CCNNO_N-4R!H-inRing_Ext-4R!H-R_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-Sp-2CNO=1CCNNO_N-4R!H-inRing_Ext-4R!H-R_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-Sp-2CNO=1CCNNO_N-4R!H-inRing_Ext-4R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-Sp-2CNO=1CCNNO_N-4R!H-inRing_Ext-4R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1825, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.00281,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1826, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.01851,'m^3/(mol*s)'), n=2.28996, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.011374579810323818, var=1.8159457266716375, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 2.730100805762208"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.730100805762208""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.730100805762208 +""", +) + +entry( + index = 1827, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00407,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1828, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00527,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1829, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.00190865,'m^3/(mol*s)'), n=2.57708, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.015832185826202428, var=0.3186880457434876, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.171501667642744"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.171501667642744""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.171501667642744 +""", +) + +entry( + index = 1830, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.00559,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1831, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00264,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1832, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_N-Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00279,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_N-Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_N-Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1833, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(804.007,'m^3/(mol*s)'), n=1.15566, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11885656614928931, var=0.21212563508648916, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 1.2219574038043495"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 1.2219574038043495""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 1.2219574038043495 +""", +) + +entry( + index = 1834, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(6.17426,'m^3/(mol*s)'), n=1.64271, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07270508727338112, var=0.16762175463880935, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.0034474338976567"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.0034474338976567""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.0034474338976567 +""", +) + +entry( + index = 1835, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00863,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1836, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.0101,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1837, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(1.38557,'m^3/(mol*s)'), n=1.80331, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.05748773794293993, var=0.3215927139421085, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.281309676786472"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.281309676786472""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.281309676786472 +""", +) + +entry( + index = 1838, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(3.36419,'m^3/(mol*s)'), n=1.72544, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06486584894626944, var=0.32143374762926746, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.2995666270796222"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.2995666270796222""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.2995666270796222 +""", +) + +entry( + index = 1839, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(124590,'m^3/(mol*s)'), n=0.583437, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.17307791666739647, var=0.2739508287676886, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.4841537368879059"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.4841537368879059""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.4841537368879059 +""", +) + +entry( + index = 1840, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(1588.7,'m^3/(mol*s)'), n=1.01088, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.13257534350820016, var=0.09331359427787088, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 0.9454957932410025"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.9454957932410025""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.9454957932410025 +""", +) + +entry( + index = 1841, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.0139,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1842, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.0162,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1843, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-5R!H-R_Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(169.643,'m^3/(mol*s)'), n=1.27367, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.175013879414111, var=0.1784062283875134, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-5R!H-R_Sp-8R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-5R!H-R_Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 3.7990594183514634"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-5R!H-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 3.7990594183514634""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-5R!H-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 3.7990594183514634 +""", +) + +entry( + index = 1844, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(1738.93,'m^3/(mol*s)'), n=0.996281, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.4618486898506609, var=0.17291572768786026, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 4.506618390218187"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 4.506618390218187""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 4.506618390218187 +""", +) + +entry( + index = 1845, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_Sp-7R!H=6R!H_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.185656,'m^3/(mol*s)'), n=2.14234, w0=(289500,'J/mol'), E0=(28950,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2767704311229866, var=2.3817438431543496, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_Sp-7R!H=6R!H_Ext-5R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_Sp-7R!H=6R!H_Ext-5R!H-R + Total Standard Deviation in ln(k): 3.7892905733411464"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_Sp-7R!H=6R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 3.7892905733411464""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_Sp-7R!H=6R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 3.7892905733411464 +""", +) + +entry( + index = 1846, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_N-Sp-7R!H=6R!H_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(22.4326,'m^3/(mol*s)'), n=1.86738, w0=(289500,'J/mol'), E0=(28950,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5610891467311454, var=2.411300029770089, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_N-Sp-7R!H=6R!H_Ext-5R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_N-Sp-7R!H=6R!H_Ext-5R!H-R + Total Standard Deviation in ln(k): 4.522796773825716"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_N-Sp-7R!H=6R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 4.522796773825716""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_N-Sp-7R!H=6R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 4.522796773825716 +""", +) + +entry( + index = 1847, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-2R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.0321786,'m^3/(mol*s)'), n=2.3443, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06793456036655117, var=0.11350249056933692, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-2R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-2R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 0.8460877176653315"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-2R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.8460877176653315""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-2R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.8460877176653315 +""", +) + +entry( + index = 1848, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000322394,'m^3/(mol*s)'), n=2.88692, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.4931545863645941, var=0.047602811414035814, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H + Total Standard Deviation in ln(k): 1.6764763482087317"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 1.6764763482087317""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 1.6764763482087317 +""", +) + +entry( + index = 1849, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00329729,'m^3/(mol*s)'), n=2.60953, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.20631977592804449, var=0.043934151685688455, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H + Total Standard Deviation in ln(k): 0.9385933937323115"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 0.9385933937323115""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 0.9385933937323115 +""", +) + +entry( + index = 1850, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R", + kinetics = ArrheniusBM(A=(0.00438334,'m^3/(mol*s)'), n=2.19193, w0=(301000,'J/mol'), E0=(77738.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.026420922159451386, var=0.7349785703023097, Tref=1000.0, N=14, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R',), comment="""BM rule fitted to 14 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R + Total Standard Deviation in ln(k): 1.7850614742385114"""), + rank = 11, + shortDesc = """BM rule fitted to 14 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 1.7850614742385114""", + longDesc = +""" +BM rule fitted to 14 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 1.7850614742385114 +""", +) + +entry( + index = 1851, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(0.963411,'m^3/(mol*s)'), n=1.51509, w0=(301000,'J/mol'), E0=(69298.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0063043344899548805, var=1.5293721670586562, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-1R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-1R!H-R + Total Standard Deviation in ln(k): 2.4950515522977037"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 2.4950515522977037""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 2.4950515522977037 +""", +) + +entry( + index = 1852, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.000599,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(58450.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-2R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-2R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1853, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Sp-10R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000476,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(61319.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Sp-10R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Sp-10R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Sp-10R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Sp-10R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1854, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-Sp-10R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000512,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(67572,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-Sp-10R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-Sp-10R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-Sp-10R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-Sp-10R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1855, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing", + kinetics = ArrheniusBM(A=(0.0232311,'m^3/(mol*s)'), n=1.98689, w0=(301000,'J/mol'), E0=(83397.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.005981324134561006, var=0.09198648566791373, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing + Total Standard Deviation in ln(k): 0.6230500456470379"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing +Total Standard Deviation in ln(k): 0.6230500456470379""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing +Total Standard Deviation in ln(k): 0.6230500456470379 +""", +) + +entry( + index = 1856, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing", + kinetics = ArrheniusBM(A=(0.000255462,'m^3/(mol*s)'), n=2.70725, w0=(301000,'J/mol'), E0=(75208.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.036205868321782346, var=0.19016598925749276, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing + Total Standard Deviation in ln(k): 0.9651949032035145"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing +Total Standard Deviation in ln(k): 0.9651949032035145""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing +Total Standard Deviation in ln(k): 0.9651949032035145 +""", +) + +entry( + index = 1857, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.00156,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(58635.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1858, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-9R!H-2R!H", + kinetics = ArrheniusBM(A=(0.00124,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(59346,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-9R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-9R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1859, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-9R!H-2R!H", + kinetics = ArrheniusBM(A=(0.00134,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(68640.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-9R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-9R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1860, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R", + kinetics = ArrheniusBM(A=(0.0442562,'m^3/(mol*s)'), n=2.02267, w0=(301000,'J/mol'), E0=(72742.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.024071769717887315, var=0.8512884655171112, Tref=1000.0, N=28, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R',), comment="""BM rule fitted to 28 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R + Total Standard Deviation in ln(k): 1.9101565659074775"""), + rank = 11, + shortDesc = """BM rule fitted to 28 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R +Total Standard Deviation in ln(k): 1.9101565659074775""", + longDesc = +""" +BM rule fitted to 28 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R +Total Standard Deviation in ln(k): 1.9101565659074775 +""", +) + +entry( + index = 1861, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.839772,'m^3/(mol*s)'), n=1.63391, w0=(301000,'J/mol'), E0=(55759.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0040116351108275446, var=0.21965315659056708, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-2R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-2R!H-R + Total Standard Deviation in ln(k): 0.9496420695910216"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.9496420695910216""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.9496420695910216 +""", +) + +entry( + index = 1862, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-11R!H-2R!H", + kinetics = ArrheniusBM(A=(7.82648,'m^3/(mol*s)'), n=1.33814, w0=(301000,'J/mol'), E0=(60657.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.005943045022954033, var=0.36690006701145683, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-11R!H-2R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-11R!H-2R!H + Total Standard Deviation in ln(k): 1.22924594639787"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-11R!H-2R!H +Total Standard Deviation in ln(k): 1.22924594639787""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-11R!H-2R!H +Total Standard Deviation in ln(k): 1.22924594639787 +""", +) + +entry( + index = 1863, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_N-Sp-11R!H-2R!H", + kinetics = ArrheniusBM(A=(0.248642,'m^3/(mol*s)'), n=1.8608, w0=(301000,'J/mol'), E0=(71441.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0038658083828198627, var=0.6333728936067949, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_N-Sp-11R!H-2R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_N-Sp-11R!H-2R!H + Total Standard Deviation in ln(k): 1.6051760455129225"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_N-Sp-11R!H-2R!H +Total Standard Deviation in ln(k): 1.6051760455129225""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_N-Sp-11R!H-2R!H +Total Standard Deviation in ln(k): 1.6051760455129225 +""", +) + +entry( + index = 1864, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.00178,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(52725.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1865, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-8R!H-R_Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00084,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(49480.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-8R!H-R_Sp-11R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-8R!H-R_Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1866, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-8R!H-R_N-Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000887,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(45431.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-8R!H-R_N-Sp-11R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-8R!H-R_N-Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1867, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing", + kinetics = ArrheniusBM(A=(0.311423,'m^3/(mol*s)'), n=1.78148, w0=(301000,'J/mol'), E0=(79795.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.007278226892284807, var=0.502136872213104, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing + Total Standard Deviation in ln(k): 1.4388746887476198"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing +Total Standard Deviation in ln(k): 1.4388746887476198""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing +Total Standard Deviation in ln(k): 1.4388746887476198 +""", +) + +entry( + index = 1868, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing", + kinetics = ArrheniusBM(A=(0.00152477,'m^3/(mol*s)'), n=2.60098, w0=(301000,'J/mol'), E0=(70267.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03420398274737977, var=0.4550696633584676, Tref=1000.0, N=20, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing',), comment="""BM rule fitted to 20 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing + Total Standard Deviation in ln(k): 1.4383109121718205"""), + rank = 11, + shortDesc = """BM rule fitted to 20 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing +Total Standard Deviation in ln(k): 1.4383109121718205""", + longDesc = +""" +BM rule fitted to 20 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing +Total Standard Deviation in ln(k): 1.4383109121718205 +""", +) + +entry( + index = 1869, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.214947,'m^3/(mol*s)'), n=1.91994, w0=(301000,'J/mol'), E0=(56023,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0009209432020751628, var=0.1459713236377627, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 0.7682468943101705"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.7682468943101705""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.7682468943101705 +""", +) + +entry( + index = 1870, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(1.36125,'m^3/(mol*s)'), n=1.67257, w0=(301000,'J/mol'), E0=(59930.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.007665444748219533, var=0.15009822456883223, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 0.7959446418437868"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.7959446418437868""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.7959446418437868 +""", +) + +entry( + index = 1871, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.10664,'m^3/(mol*s)'), n=2.08263, w0=(301000,'J/mol'), E0=(69925.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.001594629554118485, var=0.47865319647075033, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.3909778962648254"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.3909778962648254""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.3909778962648254 +""", +) + +entry( + index = 1872, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.000195139,'m^3/(mol*s)'), n=2.81125, w0=(301000,'J/mol'), E0=(72198.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.000716973685770485, var=0.13444705733307874, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 0.7368781126958125"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.7368781126958125""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.7368781126958125 +""", +) + +entry( + index = 1873, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_Sp-10R!H=8R!H", + kinetics = ArrheniusBM(A=(0.0018,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(69339,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_Sp-10R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_Sp-10R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1874, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_N-Sp-10R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00199,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(73459,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_N-Sp-10R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_N-Sp-10R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_N-Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_N-Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1875, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(1.6756e-05,'m^3/(mol*s)'), n=3.18609, w0=(301000,'J/mol'), E0=(66241.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.061187253526124176, var=0.3785261508919605, Tref=1000.0, N=15, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H',), comment="""BM rule fitted to 15 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 1.3871396284121944"""), + rank = 11, + shortDesc = """BM rule fitted to 15 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 1.3871396284121944""", + longDesc = +""" +BM rule fitted to 15 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 1.3871396284121944 +""", +) + +entry( + index = 1876, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(0.00078175,'m^3/(mol*s)'), n=2.89779, w0=(289500,'J/mol'), E0=(72654.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.044040679650177154, var=7.823605046708236, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 5.71804091587081"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 5.71804091587081""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 5.71804091587081 +""", +) + +entry( + index = 1877, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H", + kinetics = ArrheniusBM(A=(0.0291367,'m^3/(mol*s)'), n=2.20512, w0=(301000,'J/mol'), E0=(63108.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.02880588313792009, var=0.9299079960223362, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H + Total Standard Deviation in ln(k): 2.005577454351198"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H +Total Standard Deviation in ln(k): 2.005577454351198""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H +Total Standard Deviation in ln(k): 2.005577454351198 +""", +) + +entry( + index = 1878, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H", + kinetics = ArrheniusBM(A=(0.0203875,'m^3/(mol*s)'), n=2.45518, w0=(301000,'J/mol'), E0=(110701,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.000339451581841511, var=0.7471543965987417, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H + Total Standard Deviation in ln(k): 1.7337076691849065"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H +Total Standard Deviation in ln(k): 1.7337076691849065""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H +Total Standard Deviation in ln(k): 1.7337076691849065 +""", +) + +entry( + index = 1879, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(18.008,'m^3/(mol*s)'), n=1.66734, w0=(289500,'J/mol'), E0=(76337.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.003942529730293381, var=8.578599323091503, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 5.8816237418861"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 5.8816237418861""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 5.8816237418861 +""", +) + +entry( + index = 1880, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.0002533,'m^3/(mol*s)'), n=2.66279, w0=(301000,'J/mol'), E0=(71653.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0005229922080949535, var=0.15017720938513476, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 0.7782031081655266"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.7782031081655266""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.7782031081655266 +""", +) + +entry( + index = 1881, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing_Ext-8R!H-R_Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000616,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(66012.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing_Ext-8R!H-R_Sp-11R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing_Ext-8R!H-R_Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1882, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing_Ext-8R!H-R_N-Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000679,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(70265,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing_Ext-8R!H-R_N-Sp-11R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing_Ext-8R!H-R_N-Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1883, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(2.36559e-05,'m^3/(mol*s)'), n=3.02631, w0=(301000,'J/mol'), E0=(65510.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06958826859352743, var=0.409385043915039, Tref=1000.0, N=15, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H',), comment="""BM rule fitted to 15 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 1.4575386372490444"""), + rank = 11, + shortDesc = """BM rule fitted to 15 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 1.4575386372490444""", + longDesc = +""" +BM rule fitted to 15 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 1.4575386372490444 +""", +) + +entry( + index = 1884, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(0.00956145,'m^3/(mol*s)'), n=2.4818, w0=(289500,'J/mol'), E0=(75792.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.039862093879048814, var=7.908181845304633, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 5.737769703431654"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 5.737769703431654""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 5.737769703431654 +""", +) + +entry( + index = 1885, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H", + kinetics = ArrheniusBM(A=(0.0845925,'m^3/(mol*s)'), n=1.95909, w0=(301000,'J/mol'), E0=(62801.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.025545328039593116, var=0.9502293052342937, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H + Total Standard Deviation in ln(k): 2.018394097794389"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H +Total Standard Deviation in ln(k): 2.018394097794389""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H +Total Standard Deviation in ln(k): 2.018394097794389 +""", +) + +entry( + index = 1886, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H", + kinetics = ArrheniusBM(A=(0.0485472,'m^3/(mol*s)'), n=2.23888, w0=(301000,'J/mol'), E0=(112135,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0003378419446376242, var=0.765290372050728, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H + Total Standard Deviation in ln(k): 1.7546086625675505"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H +Total Standard Deviation in ln(k): 1.7546086625675505""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H +Total Standard Deviation in ln(k): 1.7546086625675505 +""", +) + +entry( + index = 1887, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(123.186,'m^3/(mol*s)'), n=1.32681, w0=(289500,'J/mol'), E0=(78815.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.005205555019002343, var=8.697355905705106, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 5.9252996147079555"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 5.9252996147079555""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 5.9252996147079555 +""", +) + +entry( + index = 1888, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R", + kinetics = ArrheniusBM(A=(0.0103,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(77861.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1889, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.00339,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(63937,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1890, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.00396,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(63490.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1891, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing", + kinetics = ArrheniusBM(A=(0.0161169,'m^3/(mol*s)'), n=1.74426, w0=(301000,'J/mol'), E0=(79988.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.012367066100199725, var=0.12412875083563209, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing + Total Standard Deviation in ln(k): 0.7373794960363782"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing +Total Standard Deviation in ln(k): 0.7373794960363782""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing +Total Standard Deviation in ln(k): 0.7373794960363782 +""", +) + +entry( + index = 1892, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing", + kinetics = ArrheniusBM(A=(1.98158e-05,'m^3/(mol*s)'), n=2.72873, w0=(301000,'J/mol'), E0=(68489.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0703265433194514, var=0.13200179054773395, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing + Total Standard Deviation in ln(k): 0.9050612215915168"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing +Total Standard Deviation in ln(k): 0.9050612215915168""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing +Total Standard Deviation in ln(k): 0.9050612215915168 +""", +) + +entry( + index = 1893, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.0001,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(49823.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1894, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-9R!H-2R!H", + kinetics = ArrheniusBM(A=(7.96e-05,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(52450.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-9R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-9R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1895, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-Sp-9R!H-2R!H", + kinetics = ArrheniusBM(A=(8.56e-05,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(62643.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-Sp-9R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-Sp-9R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1896, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing", + kinetics = ArrheniusBM(A=(3.36607e-05,'m^3/(mol*s)'), n=2.48984, w0=(301000,'J/mol'), E0=(65699.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07070478463540654, var=0.8311685212735157, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing + Total Standard Deviation in ln(k): 2.005335992481476"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing +Total Standard Deviation in ln(k): 2.005335992481476""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing +Total Standard Deviation in ln(k): 2.005335992481476 +""", +) + +entry( + index = 1897, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing", + kinetics = ArrheniusBM(A=(1.45829e-09,'m^3/(mol*s)'), n=3.88623, w0=(301000,'J/mol'), E0=(48937.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.16795554563874482, var=0.5206983354795046, Tref=1000.0, N=20, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing',), comment="""BM rule fitted to 20 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing + Total Standard Deviation in ln(k): 1.868604265589906"""), + rank = 11, + shortDesc = """BM rule fitted to 20 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing +Total Standard Deviation in ln(k): 1.868604265589906""", + longDesc = +""" +BM rule fitted to 20 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing +Total Standard Deviation in ln(k): 1.868604265589906 +""", +) + +entry( + index = 1898, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.0161528,'m^3/(mol*s)'), n=1.8231, w0=(301000,'J/mol'), E0=(53464.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.00866110953113752, var=5.9104085304848555, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R + Total Standard Deviation in ln(k): 4.895539542030943"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 4.895539542030943""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 4.895539542030943 +""", +) + +entry( + index = 1899, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000126165,'m^3/(mol*s)'), n=2.40482, w0=(301000,'J/mol'), E0=(62788,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.002800012623467738, var=2.3202087514254406, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 3.060694078367707"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 3.060694078367707""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 3.060694078367707 +""", +) + +entry( + index = 1900, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.29506,'m^3/(mol*s)'), n=1.51302, w0=(301000,'J/mol'), E0=(62130.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.005282701999577343, var=2.7216024655206503, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 3.320540705218929"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 3.320540705218929""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 3.320540705218929 +""", +) + +entry( + index = 1901, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(9.11e-05,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(54970.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1902, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000123,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(44461,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1903, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_Sp-9R!H-2R!H", + kinetics = ArrheniusBM(A=(7.24e-05,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(57554.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_Sp-9R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_Sp-9R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1904, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-9R!H-2R!H", + kinetics = ArrheniusBM(A=(7.79e-05,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(64670.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-9R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-9R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1905, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-9R!H-2R!H", + kinetics = ArrheniusBM(A=(9.79e-05,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(47123.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-9R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-9R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1906, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-9R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000105,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(54502.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-9R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-9R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1907, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R", + kinetics = ArrheniusBM(A=(0.0137207,'m^3/(mol*s)'), n=1.9897, w0=(301000,'J/mol'), E0=(69284.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.023686977906709376, var=0.764524332681953, Tref=1000.0, N=28, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R',), comment="""BM rule fitted to 28 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R + Total Standard Deviation in ln(k): 1.8123968754500737"""), + rank = 11, + shortDesc = """BM rule fitted to 28 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 1.8123968754500737""", + longDesc = +""" +BM rule fitted to 28 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 1.8123968754500737 +""", +) + +entry( + index = 1908, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.244917,'m^3/(mol*s)'), n=1.62337, w0=(301000,'J/mol'), E0=(56509.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.008796868390731146, var=0.17293486065357946, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R + Total Standard Deviation in ln(k): 0.855780535716048"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.855780535716048""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.855780535716048 +""", +) + +entry( + index = 1909, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-10R!H-2R!H", + kinetics = ArrheniusBM(A=(0.969942,'m^3/(mol*s)'), n=1.43203, w0=(301000,'J/mol'), E0=(61067.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.015923331810790895, var=0.18129174954530275, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-10R!H-2R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-10R!H-2R!H + Total Standard Deviation in ln(k): 0.8935918674614395"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-10R!H-2R!H +Total Standard Deviation in ln(k): 0.8935918674614395""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-10R!H-2R!H +Total Standard Deviation in ln(k): 0.8935918674614395 +""", +) + +entry( + index = 1910, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-10R!H-2R!H", + kinetics = ArrheniusBM(A=(0.0475526,'m^3/(mol*s)'), n=1.88779, w0=(301000,'J/mol'), E0=(71274.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.011071428643340384, var=0.4172123862848353, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-10R!H-2R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-10R!H-2R!H + Total Standard Deviation in ln(k): 1.322715737439903"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-10R!H-2R!H +Total Standard Deviation in ln(k): 1.322715737439903""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-10R!H-2R!H +Total Standard Deviation in ln(k): 1.322715737439903 +""", +) + +entry( + index = 1911, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.000334,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(51409.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1912, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-8R!H-R_Sp-10R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000158,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(48773.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-8R!H-R_Sp-10R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-8R!H-R_Sp-10R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-8R!H-R_Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-8R!H-R_Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1913, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000167,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(45543.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1914, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R", + kinetics = ArrheniusBM(A=(2.58053e-05,'m^3/(mol*s)'), n=2.74505, w0=(301000,'J/mol'), E0=(54264,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08297995266408649, var=1.2207405743426953, Tref=1000.0, N=56, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R',), comment="""BM rule fitted to 56 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R + Total Standard Deviation in ln(k): 2.4234665806842832"""), + rank = 11, + shortDesc = """BM rule fitted to 56 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 2.4234665806842832""", + longDesc = +""" +BM rule fitted to 56 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 2.4234665806842832 +""", +) + +entry( + index = 1915, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.0793747,'m^3/(mol*s)'), n=1.74067, w0=(301000,'J/mol'), E0=(48717.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.009780096635644407, var=1.1781903470513444, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R + Total Standard Deviation in ln(k): 2.2006023105764756"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.2006023105764756""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.2006023105764756 +""", +) + +entry( + index = 1916, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00024501,'m^3/(mol*s)'), n=2.44111, w0=(301000,'J/mol'), E0=(56552.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.047434547817652085, var=0.5696227100564736, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 1.6322230742465988"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 1.6322230742465988""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 1.6322230742465988 +""", +) + +entry( + index = 1917, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.822202,'m^3/(mol*s)'), n=1.50603, w0=(301000,'J/mol'), E0=(56432,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.016854144939536936, var=0.6469827549997468, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 1.6548605333301196"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 1.6548605333301196""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 1.6548605333301196 +""", +) + +entry( + index = 1918, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.00351849,'m^3/(mol*s)'), n=2.07893, w0=(301000,'J/mol'), E0=(55204.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03251508989228307, var=0.14621031326235945, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing_Ext-8R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing_Ext-8R!H-R + Total Standard Deviation in ln(k): 0.8482559228208648"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.8482559228208648""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.8482559228208648 +""", +) + +entry( + index = 1919, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(3.79275,'m^3/(mol*s)'), n=1.28203, w0=(301000,'J/mol'), E0=(53504.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.018925395745650875, var=0.1432353579976996, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing_Ext-8R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing_Ext-8R!H-R + Total Standard Deviation in ln(k): 0.8062722519491783"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.8062722519491783""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.8062722519491783 +""", +) + +entry( + index = 1920, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.000387808,'m^3/(mol*s)'), n=2.42377, w0=(301000,'J/mol'), E0=(70457,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.008116899516065744, var=0.2124386728764439, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 0.9443980666427692"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.9443980666427692""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.9443980666427692 +""", +) + +entry( + index = 1921, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.012119,'m^3/(mol*s)'), n=1.87282, w0=(301000,'J/mol'), E0=(69963.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0034346692133523076, var=0.14544382132480432, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R + Total Standard Deviation in ln(k): 0.773177595204034"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.773177595204034""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.773177595204034 +""", +) + +entry( + index = 1922, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(1.06021e-09,'m^3/(mol*s)'), n=4.14219, w0=(297714,'J/mol'), E0=(51512.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.18447526599761138, var=1.470534484490264, Tref=1000.0, N=21, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R',), comment="""BM rule fitted to 21 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R + Total Standard Deviation in ln(k): 2.89455963920834"""), + rank = 11, + shortDesc = """BM rule fitted to 21 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R +Total Standard Deviation in ln(k): 2.89455963920834""", + longDesc = +""" +BM rule fitted to 21 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R +Total Standard Deviation in ln(k): 2.89455963920834 +""", +) + +entry( + index = 1923, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(1.2953e-20,'m^3/(mol*s)'), n=7.19017, w0=(301000,'J/mol'), E0=(17768.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.45179348140196907, var=0.706835591666422, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H',), comment="""BM rule fitted to 11 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 2.820610746084308"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 2.820610746084308""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 2.820610746084308 +""", +) + +entry( + index = 1924, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(6.20624,'m^3/(mol*s)'), n=1.5567, w0=(289500,'J/mol'), E0=(78504.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.019746044470030828, var=2.772338121728666, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 3.387565182057968"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 3.387565182057968""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 3.387565182057968 +""", +) + +entry( + index = 1925, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.00206304,'m^3/(mol*s)'), n=2.27519, w0=(301000,'J/mol'), E0=(58979,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0005146189208539682, var=0.24851787085249236, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.0006848578519716"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.0006848578519716""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.0006848578519716 +""", +) + +entry( + index = 1926, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000878,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(70212.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1927, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00243,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(71101.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1928, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(1.57175e-08,'m^3/(mol*s)'), n=3.65565, w0=(301000,'J/mol'), E0=(50540.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.15053266004051513, var=0.7221142488513405, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 2.0817926196419387"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.0817926196419387""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.0817926196419387 +""", +) + +entry( + index = 1929, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(4.82568e-07,'m^3/(mol*s)'), n=3.11229, w0=(301000,'J/mol'), E0=(50725.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.23191489354918557, var=0.9118085798941195, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R + Total Standard Deviation in ln(k): 2.49699556855625"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.49699556855625""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.49699556855625 +""", +) + +entry( + index = 1930, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_4R!H-inRing", + kinetics = ArrheniusBM(A=(7.11e-05,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(63356.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1931, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(9.61e-05,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(54441.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1932, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(3.62457e-15,'m^3/(mol*s)'), n=5.64871, w0=(297714,'J/mol'), E0=(10496.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.31064541145637076, var=1.377311078872593, Tref=1000.0, N=42, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R',), comment="""BM rule fitted to 42 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R + Total Standard Deviation in ln(k): 3.133251090934947"""), + rank = 11, + shortDesc = """BM rule fitted to 42 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R +Total Standard Deviation in ln(k): 3.133251090934947""", + longDesc = +""" +BM rule fitted to 42 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R +Total Standard Deviation in ln(k): 3.133251090934947 +""", +) + +entry( + index = 1933, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(2.62692e-17,'m^3/(mol*s)'), n=6.22117, w0=(301000,'J/mol'), E0=(17505.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.46896873285531127, var=1.1103333451989845, Tref=1000.0, N=22, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H',), comment="""BM rule fitted to 22 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 3.2907499858329134"""), + rank = 11, + shortDesc = """BM rule fitted to 22 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 3.2907499858329134""", + longDesc = +""" +BM rule fitted to 22 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 3.2907499858329134 +""", +) + +entry( + index = 1934, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(0.0304671,'m^3/(mol*s)'), n=2.19169, w0=(289500,'J/mol'), E0=(64986.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08488708266814554, var=2.3420072891560824, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 3.281254141788518"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 3.281254141788518""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 3.281254141788518 +""", +) + +entry( + index = 1935, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(2.15099e-05,'m^3/(mol*s)'), n=2.81885, w0=(301000,'J/mol'), E0=(47009.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.053012597221113844, var=1.486330510640313, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 2.5772733646124393"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.5772733646124393""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.5772733646124393 +""", +) + +entry( + index = 1936, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000193,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(53224.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1937, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000261,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(42900.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1938, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000751,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1939, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00101,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(88003.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1940, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.0127882,'m^3/(mol*s)'), n=2.13048, w0=(289500,'J/mol'), E0=(70623.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.01417697511524859, var=4.133386255195101, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-9R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 4.111393511416767"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 4.111393511416767""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 4.111393511416767 +""", +) + +entry( + index = 1941, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000558935,'m^3/(mol*s)'), n=2.61085, w0=(289500,'J/mol'), E0=(64416.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.015525056937088149, var=4.012340094758981, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 4.05465772813174"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 4.05465772813174""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 4.05465772813174 +""", +) + +entry( + index = 1942, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-10R!H-R", + kinetics = ArrheniusBM(A=(0.00194,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(67390.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-10R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-10R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1943, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000636,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(55014.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1944, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000744,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(55479.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1945, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-10R!H-R", + kinetics = ArrheniusBM(A=(5.2698e-10,'m^3/(mol*s)'), n=4.28361, w0=(301000,'J/mol'), E0=(17574.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.1936147537647679, var=0.14162554952305875, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-10R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-10R!H-R + Total Standard Deviation in ln(k): 3.753477407285457"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 3.753477407285457""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 3.753477407285457 +""", +) + +entry( + index = 1946, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(8.14576e-05,'m^3/(mol*s)'), n=2.69122, w0=(301000,'J/mol'), E0=(51617.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.00011032315060130742, var=0.019690025142224357, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 0.28158392538603166"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 0.28158392538603166""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 0.28158392538603166 +""", +) + +entry( + index = 1947, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00508848,'m^3/(mol*s)'), n=2.23926, w0=(301000,'J/mol'), E0=(49989,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.00010487085149698659, var=0.020495370549743555, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 0.28726546391191643"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 0.28726546391191643""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 0.28726546391191643 +""", +) + +entry( + index = 1948, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_4R!H-inRing_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000454,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(52349.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_4R!H-inRing_Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_4R!H-inRing_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_4R!H-inRing_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_4R!H-inRing_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1949, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_4R!H-inRing_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000589,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(52322.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_4R!H-inRing_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_4R!H-inRing_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_4R!H-inRing_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_4R!H-inRing_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1950, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_N-4R!H-inRing_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000614,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(44204.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_N-4R!H-inRing_Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_N-4R!H-inRing_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_N-4R!H-inRing_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_N-4R!H-inRing_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1951, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_N-4R!H-inRing_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000795,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(44196.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_N-4R!H-inRing_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_N-4R!H-inRing_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_N-4R!H-inRing_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_N-4R!H-inRing_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1952, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Sp-9R!H=8R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000419,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(65376.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Sp-9R!H=8R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Sp-9R!H=8R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Sp-9R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Sp-9R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1953, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Sp-9R!H=8R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000566,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(57301.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Sp-9R!H=8R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Sp-9R!H=8R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Sp-9R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Sp-9R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1954, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-9R!H=8R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00556,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(62793.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-9R!H=8R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-9R!H=8R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-9R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-9R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1955, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-9R!H=8R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00751,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(54766.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-9R!H=8R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-9R!H=8R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-9R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-9R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1956, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing", + kinetics = ArrheniusBM(A=(0.000841874,'m^3/(mol*s)'), n=2.35514, w0=(301000,'J/mol'), E0=(84233,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.007398490700602712, var=0.13090730504716572, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing + Total Standard Deviation in ln(k): 0.7439246674990264"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing +Total Standard Deviation in ln(k): 0.7439246674990264""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing +Total Standard Deviation in ln(k): 0.7439246674990264 +""", +) + +entry( + index = 1957, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing", + kinetics = ArrheniusBM(A=(6.31376e-06,'m^3/(mol*s)'), n=3.11522, w0=(301000,'J/mol'), E0=(73968.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.05261720902580881, var=0.08002934241173873, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing + Total Standard Deviation in ln(k): 0.6993327270309028"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing +Total Standard Deviation in ln(k): 0.6993327270309028""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing +Total Standard Deviation in ln(k): 0.6993327270309028 +""", +) + +entry( + index = 1958, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.000775,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(63766.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1959, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-8R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000616,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(64579.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-8R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-8R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1960, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-Sp-8R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000662,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(74304.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-Sp-8R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-Sp-8R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1961, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(5.20014e-05,'m^3/(mol*s)'), n=2.63689, w0=(301000,'J/mol'), E0=(75883.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.012203162914307463, var=0.14302067287949646, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 0.7888134104730419"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.7888134104730419""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.7888134104730419 +""", +) + +entry( + index = 1962, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(2.02266e-07,'m^3/(mol*s)'), n=3.49811, w0=(301000,'J/mol'), E0=(64352,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07802850549508435, var=0.06912090228151034, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R + Total Standard Deviation in ln(k): 0.7231135007835733"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.7231135007835733""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.7231135007835733 +""", +) + +entry( + index = 1963, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(1.17448e-05,'m^3/(mol*s)'), n=2.93462, w0=(301000,'J/mol'), E0=(67433.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.01675991065705195, var=0.13008486347965037, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-1R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-1R!H-R + Total Standard Deviation in ln(k): 0.7651637275094315"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 0.7651637275094315""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 0.7651637275094315 +""", +) + +entry( + index = 1964, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_1R!H-inRing", + kinetics = ArrheniusBM(A=(3.18089e-06,'m^3/(mol*s)'), n=3.21235, w0=(259000,'J/mol'), E0=(44445.8,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_1R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_1R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_1R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_1R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1965, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_N-1R!H-inRing", + kinetics = ArrheniusBM(A=(2.74516e-06,'m^3/(mol*s)'), n=3.1174, w0=(301000,'J/mol'), E0=(65389.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.024542899418917387, var=0.0957241132216645, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_N-1R!H-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_N-1R!H-inRing + Total Standard Deviation in ln(k): 0.6819168508749923"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_N-1R!H-inRing +Total Standard Deviation in ln(k): 0.6819168508749923""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_N-1R!H-inRing +Total Standard Deviation in ln(k): 0.6819168508749923 +""", +) + +entry( + index = 1966, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-8R!H-2R!H", + kinetics = ArrheniusBM(A=(4.03462e-05,'m^3/(mol*s)'), n=2.75831, w0=(301000,'J/mol'), E0=(60978.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.019755078457259493, var=0.16756264481089986, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-8R!H-2R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-8R!H-2R!H + Total Standard Deviation in ln(k): 0.8702624803324602"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 0.8702624803324602""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 0.8702624803324602 +""", +) + +entry( + index = 1967, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-Sp-8R!H-2R!H", + kinetics = ArrheniusBM(A=(7.42511e-10,'m^3/(mol*s)'), n=4.31379, w0=(287000,'J/mol'), E0=(51128.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-2.1474594969341685, var=10.859472413818587, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-Sp-8R!H-2R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-Sp-8R!H-2R!H + Total Standard Deviation in ln(k): 12.001973439260526"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 12.001973439260526""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 12.001973439260526 +""", +) + +entry( + index = 1968, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-8R!H=2R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000487,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(69725.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-8R!H=2R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-8R!H=2R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-8R!H=2R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-8R!H=2R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1969, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-8R!H=2R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000413,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(71657.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-8R!H=2R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-8R!H=2R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-8R!H=2R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-8R!H=2R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1970, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H", + kinetics = ArrheniusBM(A=(1.32754e-09,'m^3/(mol*s)'), n=4.2169, w0=(292600,'J/mol'), E0=(45853.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.7322396819149246, var=7.939347654895804, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H + Total Standard Deviation in ln(k): 10.001072573528027"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 10.001072573528027""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 10.001072573528027 +""", +) + +entry( + index = 1971, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_N-Sp-8R!H-2R!H", + kinetics = ArrheniusBM(A=(3.8336e-06,'m^3/(mol*s)'), n=3.1834, w0=(259000,'J/mol'), E0=(44004.6,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_N-Sp-8R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_N-Sp-8R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_N-Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_N-Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1972, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.00154382,'m^3/(mol*s)'), n=2.50355, w0=(301000,'J/mol'), E0=(74265.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.01242068708622222, var=0.8168721786510407, Tref=1000.0, N=28, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 28 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 1.8431069925509294"""), + rank = 11, + shortDesc = """BM rule fitted to 28 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 1.8431069925509294""", + longDesc = +""" +BM rule fitted to 28 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 1.8431069925509294 +""", +) + +entry( + index = 1973, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.00281504,'m^3/(mol*s)'), n=2.41869, w0=(301000,'J/mol'), E0=(61381,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.007205330485758324, var=0.17046087111783945, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R + Total Standard Deviation in ln(k): 0.8457969576740517"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.8457969576740517""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.8457969576740517 +""", +) + +entry( + index = 1974, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H", + kinetics = ArrheniusBM(A=(0.0118471,'m^3/(mol*s)'), n=2.21985, w0=(301000,'J/mol'), E0=(65145.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.012727727426714283, var=0.27729615660844087, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H + Total Standard Deviation in ln(k): 1.0876510001537276"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 1.0876510001537276""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 1.0876510001537276 +""", +) + +entry( + index = 1975, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000918774,'m^3/(mol*s)'), n=2.61695, w0=(301000,'J/mol'), E0=(74581.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.009272447748870098, var=0.5244957120281889, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H + Total Standard Deviation in ln(k): 1.4751683726519231"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 1.4751683726519231""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 1.4751683726519231 +""", +) + +entry( + index = 1976, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-7R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.00258,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(63225.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-7R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-7R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1977, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00122,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(60821.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1978, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00129,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(57765.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1979, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.000479307,'m^3/(mol*s)'), n=2.58098, w0=(301000,'J/mol'), E0=(67110.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0006277884225584105, var=0.824153663295208, Tref=1000.0, N=56, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 56 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 1.8215341861843877"""), + rank = 11, + shortDesc = """BM rule fitted to 56 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 1.8215341861843877""", + longDesc = +""" +BM rule fitted to 56 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 1.8215341861843877 +""", +) + +entry( + index = 1980, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(8.07767e-05,'m^3/(mol*s)'), n=2.79646, w0=(301000,'J/mol'), E0=(53758.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.017210857569477395, var=0.16395487618341228, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R + Total Standard Deviation in ln(k): 0.8549874933642878"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.8549874933642878""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.8549874933642878 +""", +) + +entry( + index = 1981, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000256824,'m^3/(mol*s)'), n=2.63244, w0=(301000,'J/mol'), E0=(57218.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.02390582234328591, var=0.22340318525844416, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H + Total Standard Deviation in ln(k): 1.0076138633925076"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 1.0076138633925076""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 1.0076138633925076 +""", +) + +entry( + index = 1982, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H", + kinetics = ArrheniusBM(A=(2.06252e-05,'m^3/(mol*s)'), n=3.02016, w0=(301000,'J/mol'), E0=(66135,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.022548172957595532, var=0.3687534148288179, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H + Total Standard Deviation in ln(k): 1.274030483556313"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 1.274030483556313""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 1.274030483556313 +""", +) + +entry( + index = 1983, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.00485771,'m^3/(mol*s)'), n=2.31079, w0=(301000,'J/mol'), E0=(62888.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0004946817220440786, var=0.3272376591269528, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.1480454110745095"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.1480454110745095""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.1480454110745095 +""", +) + +entry( + index = 1984, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H", + kinetics = ArrheniusBM(A=(4.26629e-05,'m^3/(mol*s)'), n=2.82068, w0=(301000,'J/mol'), E0=(56746.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.00044903902924522525, var=0.3416469101463559, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H + Total Standard Deviation in ln(k): 1.172907313029866"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H +Total Standard Deviation in ln(k): 1.172907313029866""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H +Total Standard Deviation in ln(k): 1.172907313029866 +""", +) + +entry( + index = 1985, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H", + kinetics = ArrheniusBM(A=(0.000626952,'m^3/(mol*s)'), n=2.53455, w0=(301000,'J/mol'), E0=(59380.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.000383930202720847, var=0.3399707858408272, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H + Total Standard Deviation in ln(k): 1.1698658070033812"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H +Total Standard Deviation in ln(k): 1.1698658070033812""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H +Total Standard Deviation in ln(k): 1.1698658070033812 +""", +) + +entry( + index = 1986, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C", + kinetics = ArrheniusBM(A=(7.69424e-18,'m^3/(mol*s)'), n=6.62612, w0=(301000,'J/mol'), E0=(33682.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3491336803442908, var=1.0615647641110115, Tref=1000.0, N=36, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C',), comment="""BM rule fitted to 36 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C + Total Standard Deviation in ln(k): 2.9427442608419088"""), + rank = 11, + shortDesc = """BM rule fitted to 36 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C +Total Standard Deviation in ln(k): 2.9427442608419088""", + longDesc = +""" +BM rule fitted to 36 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C +Total Standard Deviation in ln(k): 2.9427442608419088 +""", +) + +entry( + index = 1987, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_N-2R!H->C", + kinetics = ArrheniusBM(A=(0.000288,'m^3/(mol*s)'), n=2.55, w0=(323500,'J/mol'), E0=(50349.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_N-2R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_N-2R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_N-2R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_N-2R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1988, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.000824534,'m^3/(mol*s)'), n=2.54235, w0=(301000,'J/mol'), E0=(66995.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.025686375552320156, var=0.755459641938413, Tref=1000.0, N=42, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 42 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.8069978554873944"""), + rank = 11, + shortDesc = """BM rule fitted to 42 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.8069978554873944""", + longDesc = +""" +BM rule fitted to 42 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.8069978554873944 +""", +) + +entry( + index = 1989, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H", + kinetics = ArrheniusBM(A=(2.49914e-08,'m^3/(mol*s)'), n=3.83556, w0=(301000,'J/mol'), E0=(50348.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08034484648491128, var=0.5350894427193634, Tref=1000.0, N=18, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H',), comment="""BM rule fitted to 18 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H + Total Standard Deviation in ln(k): 1.6683313358988099"""), + rank = 11, + shortDesc = """BM rule fitted to 18 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H +Total Standard Deviation in ln(k): 1.6683313358988099""", + longDesc = +""" +BM rule fitted to 18 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H +Total Standard Deviation in ln(k): 1.6683313358988099 +""", +) + +entry( + index = 1990, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-7R!H-1R!H", + kinetics = ArrheniusBM(A=(3.40344e-19,'m^3/(mol*s)'), n=7.0563, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.44026553338216495, var=0.31185642472385705, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-7R!H-1R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-7R!H-1R!H + Total Standard Deviation in ln(k): 2.225721202109327"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-7R!H-1R!H +Total Standard Deviation in ln(k): 2.225721202109327""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-7R!H-1R!H +Total Standard Deviation in ln(k): 2.225721202109327 +""", +) + +entry( + index = 1991, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(2.8651e-06,'m^3/(mol*s)'), n=3.26604, w0=(301000,'J/mol'), E0=(55027.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.021898943310919138, var=0.11922154939249931, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_Ext-7R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_Ext-7R!H-R + Total Standard Deviation in ln(k): 0.747226893965803"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.747226893965803""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.747226893965803 +""", +) + +entry( + index = 1992, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00121,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(59762.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1993, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00102,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(61634.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1994, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-1R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00469,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-1R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-1R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-1R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-1R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1995, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-1R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00398,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-1R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-1R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-1R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-1R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1996, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00144,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(79542.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1997, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00122,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(28950,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1998, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.004,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(73188,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1999, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00339,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(80450.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2000, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.015,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(76238.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2001, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00492,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(65828.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2002, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00575,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(65673.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2003, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(2.35616e-10,'m^3/(mol*s)'), n=4.5829, w0=(301000,'J/mol'), E0=(16834.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=2.2468714790307787, var=0.053294049678316094, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 6.108208923492106"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 6.108208923492106""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 6.108208923492106 +""", +) + +entry( + index = 2004, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(3.03537e-05,'m^3/(mol*s)'), n=3.03433, w0=(301000,'J/mol'), E0=(53391.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-3.5256575145990694e-06, var=0.05018494017429612, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 0.44910951997477755"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 0.44910951997477755""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 0.44910951997477755 +""", +) + +entry( + index = 2005, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(1.52997e-05,'m^3/(mol*s)'), n=3.13198, w0=(301000,'J/mol'), E0=(56318.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=5.050987633917013e-06, var=0.047865997840506845, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 0.4386146304780562"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 0.4386146304780562""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 0.4386146304780562 +""", +) + +entry( + index = 2006, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00284,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(57187.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2007, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0024,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(58731.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2008, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00368,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(58299.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2009, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00312,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(59769.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2010, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Sp-8R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00262,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(71291.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Sp-8R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Sp-8R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Sp-8R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Sp-8R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2011, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Sp-8R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00222,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(28950,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Sp-8R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Sp-8R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Sp-8R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Sp-8R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2012, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_N-Sp-8R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0347,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(68694.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_N-Sp-8R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_N-Sp-8R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_N-Sp-8R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_N-Sp-8R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2013, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0294,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(28950,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2014, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00318,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(53280.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2015, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00269,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(55096.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2016, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-2R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00253,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(55692.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-2R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-2R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-2R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-2R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2017, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-2R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00214,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(57509,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-2R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-2R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-2R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-2R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2018, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-2R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00272,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(58987.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-2R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-2R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-2R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-2R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2019, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-2R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0023,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(60834.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-2R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-2R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-2R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-2R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2020, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(3.59498e-20,'m^3/(mol*s)'), n=7.43386, w0=(289500,'J/mol'), E0=(6355.53,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.22030534442005828, var=1.4215698521074036, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 2.943768714450999"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.943768714450999""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.943768714450999 +""", +) + +entry( + index = 2021, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0474,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(86589.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Sp-5R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2022, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00267282,'m^3/(mol*s)'), n=2.72069, w0=(289500,'J/mol'), E0=(81272.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.00010452671426766652, var=0.0010372716770007556, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.06482853588659093"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.06482853588659093""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.06482853588659093 +""", +) + +entry( + index = 2023, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-Sp-5R!H=4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0106,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(74732.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-Sp-5R!H=4R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-Sp-5R!H=4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2024, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00983,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(74122.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2025, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(1.11442e-06,'m^3/(mol*s)'), n=3.9357, w0=(289500,'J/mol'), E0=(60650,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12501737129198018, var=1.2085505833296404, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 2.518001416481687"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.518001416481687""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.518001416481687 +""", +) + +entry( + index = 2026, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.63,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(76999,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Sp-5R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2027, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00706062,'m^3/(mol*s)'), n=2.91727, w0=(289500,'J/mol'), E0=(69708.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=9.017372775452643e-05, var=0.0016577050196659904, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.08184920306124836"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.08184920306124836""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.08184920306124836 +""", +) + +entry( + index = 2028, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-Sp-5R!H#4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.141,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(72124,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-Sp-5R!H#4R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-Sp-5R!H#4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-Sp-5R!H#4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-Sp-5R!H#4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2029, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-Sp-5R!H#4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.305,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(78675.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-Sp-5R!H#4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-Sp-5R!H#4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-Sp-5R!H#4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-Sp-5R!H#4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2030, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.0477997,'m^3/(mol*s)'), n=2.57681, w0=(289500,'J/mol'), E0=(79855.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.004688632901079565, var=7.129211815072741, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 5.364540201202059"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 5.364540201202059""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 5.364540201202059 +""", +) + +entry( + index = 2031, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.000147664,'m^3/(mol*s)'), n=3.21437, w0=(289500,'J/mol'), E0=(70413.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.05189937980230173, var=1.9689027970865567, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 2.943396534509083"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 2.943396534509083""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 2.943396534509083 +""", +) + +entry( + index = 2032, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.18,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(77102.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2033, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.166,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(76787.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2034, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-Sp-5R!H=4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0181,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(77561.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-Sp-5R!H=4R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-Sp-5R!H=4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2035, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0167,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(77177.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2036, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-Sp-5R!H=4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0501,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(78192.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-Sp-5R!H=4R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-Sp-5R!H=4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2037, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0463,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(77835.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2038, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing", + kinetics = ArrheniusBM(A=(8.90354e-31,'m^3/(mol*s)'), n=10.5205, w0=(297769,'J/mol'), E0=(-6880.83,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-3.1089718554732677, var=7.164298612691859, Tref=1000.0, N=13, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing',), comment="""BM rule fitted to 13 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing + Total Standard Deviation in ln(k): 13.177402570483505"""), + rank = 11, + shortDesc = """BM rule fitted to 13 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing +Total Standard Deviation in ln(k): 13.177402570483505""", + longDesc = +""" +BM rule fitted to 13 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing +Total Standard Deviation in ln(k): 13.177402570483505 +""", +) + +entry( + index = 2039, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing", + kinetics = ArrheniusBM(A=(1.01319e-05,'m^3/(mol*s)'), n=3.19412, w0=(301000,'J/mol'), E0=(72422.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03519378697706363, var=0.04320080855192162, Tref=1000.0, N=30, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing',), comment="""BM rule fitted to 30 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing + Total Standard Deviation in ln(k): 0.5051068609554188"""), + rank = 11, + shortDesc = """BM rule fitted to 30 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing +Total Standard Deviation in ln(k): 0.5051068609554188""", + longDesc = +""" +BM rule fitted to 30 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing +Total Standard Deviation in ln(k): 0.5051068609554188 +""", +) + +entry( + index = 2040, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-7R!H=2R!H", + kinetics = ArrheniusBM(A=(0.000132903,'m^3/(mol*s)'), n=2.86733, w0=(301000,'J/mol'), E0=(78695.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.011715500098559794, var=0.13721596616056467, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-7R!H=2R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-7R!H=2R!H + Total Standard Deviation in ln(k): 0.772043399581976"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-7R!H=2R!H +Total Standard Deviation in ln(k): 0.772043399581976""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-7R!H=2R!H +Total Standard Deviation in ln(k): 0.772043399581976 +""", +) + +entry( + index = 2041, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H", + kinetics = ArrheniusBM(A=(1.03813e-07,'m^3/(mol*s)'), n=3.85778, w0=(295000,'J/mol'), E0=(53673.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.4172220653914471, var=6.315294123424588, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H + Total Standard Deviation in ln(k): 8.598808618367066"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H +Total Standard Deviation in ln(k): 8.598808618367066""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H +Total Standard Deviation in ln(k): 8.598808618367066 +""", +) + +entry( + index = 2042, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-7R!H=2R!H", + kinetics = ArrheniusBM(A=(1.91489e-05,'m^3/(mol*s)'), n=3.03766, w0=(301000,'J/mol'), E0=(72124.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.018623816733415902, var=0.10011753222491064, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-7R!H=2R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-7R!H=2R!H + Total Standard Deviation in ln(k): 0.6811188444294206"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-7R!H=2R!H +Total Standard Deviation in ln(k): 0.6811188444294206""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-7R!H=2R!H +Total Standard Deviation in ln(k): 0.6811188444294206 +""", +) + +entry( + index = 2043, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H", + kinetics = ArrheniusBM(A=(3.66559e-08,'m^3/(mol*s)'), n=3.94511, w0=(290500,'J/mol'), E0=(50944.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.18562483161975607, var=0.9775846258282396, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H + Total Standard Deviation in ln(k): 2.448533342369687"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H +Total Standard Deviation in ln(k): 2.448533342369687""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H +Total Standard Deviation in ln(k): 2.448533342369687 +""", +) + +entry( + index = 2044, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00163,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(71417.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2045, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00151,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(72332.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2046, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.000748249,'m^3/(mol*s)'), n=2.72872, w0=(301000,'J/mol'), E0=(72224.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.006157771144024631, var=0.8675900941315383, Tref=1000.0, N=84, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 84 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.8827725803716333"""), + rank = 11, + shortDesc = """BM rule fitted to 84 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.8827725803716333""", + longDesc = +""" +BM rule fitted to 84 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.8827725803716333 +""", +) + +entry( + index = 2047, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.000328124,'m^3/(mol*s)'), n=2.82146, w0=(301000,'J/mol'), E0=(59758.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.015631818540519832, var=0.22559233597020575, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R + Total Standard Deviation in ln(k): 0.9914561560629198"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.9914561560629198""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.9914561560629198 +""", +) + +entry( + index = 2048, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0039472,'m^3/(mol*s)'), n=2.5915, w0=(301000,'J/mol'), E0=(71525.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.016684380849872425, var=0.5910185245185624, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 1.5831153586457933"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.5831153586457933""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.5831153586457933 +""", +) + +entry( + index = 2049, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(4.15683e-05,'m^3/(mol*s)'), n=3.06427, w0=(301000,'J/mol'), E0=(64164.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.033141722905896, var=0.45044331557124984, Tref=1000.0, N=16, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 16 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 1.4287500909191637"""), + rank = 11, + shortDesc = """BM rule fitted to 16 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.4287500909191637""", + longDesc = +""" +BM rule fitted to 16 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.4287500909191637 +""", +) + +entry( + index = 2050, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Sp-5R!H-4R!H_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(0.0005113,'m^3/(mol*s)'), n=2.189, w0=(301000,'J/mol'), E0=(64010.2,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Sp-5R!H-4R!H_Ext-4R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Sp-5R!H-4R!H_Ext-4R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Sp-5R!H-4R!H_Ext-4R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Sp-5R!H-4R!H_Ext-4R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2051, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0202132,'m^3/(mol*s)'), n=2.35348, w0=(301000,'J/mol'), E0=(71014.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.010659790362264642, var=0.5978768846617576, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 1.5768946523941971"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.5768946523941971""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.5768946523941971 +""", +) + +entry( + index = 2052, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.000294973,'m^3/(mol*s)'), n=2.78767, w0=(301000,'J/mol'), E0=(64123.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.023080024858558132, var=0.35916489373282845, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 1.2594351095916654"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.2594351095916654""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.2594351095916654 +""", +) + +entry( + index = 2053, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.00127178,'m^3/(mol*s)'), n=2.69309, w0=(301000,'J/mol'), E0=(71576.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.017340519295591498, var=0.735768563326629, Tref=1000.0, N=63, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 63 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 1.7631698052486573"""), + rank = 11, + shortDesc = """BM rule fitted to 63 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.7631698052486573""", + longDesc = +""" +BM rule fitted to 63 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.7631698052486573 +""", +) + +entry( + index = 2054, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H", + kinetics = ArrheniusBM(A=(6.14957e-07,'m^3/(mol*s)'), n=3.63423, w0=(301000,'J/mol'), E0=(57471.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.05796164511100038, var=0.5335238517649599, Tref=1000.0, N=28, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H',), comment="""BM rule fitted to 28 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H + Total Standard Deviation in ln(k): 1.6099452448258116"""), + rank = 11, + shortDesc = """BM rule fitted to 28 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H +Total Standard Deviation in ln(k): 1.6099452448258116""", + longDesc = +""" +BM rule fitted to 28 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H +Total Standard Deviation in ln(k): 1.6099452448258116 +""", +) + +entry( + index = 2055, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H", + kinetics = ArrheniusBM(A=(0.00134616,'m^3/(mol*s)'), n=2.87893, w0=(301000,'J/mol'), E0=(104936,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0022780010779880873, var=0.17579511817789775, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H + Total Standard Deviation in ln(k): 0.8462675091039559"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H +Total Standard Deviation in ln(k): 0.8462675091039559""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H +Total Standard Deviation in ln(k): 0.8462675091039559 +""", +) + +entry( + index = 2056, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Sp-5R!H-4R!H_Ext-4R!H-R_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(0.0003343,'m^3/(mol*s)'), n=2.203, w0=(301000,'J/mol'), E0=(57771.5,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Sp-5R!H-4R!H_Ext-4R!H-R_Ext-4R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Sp-5R!H-4R!H_Ext-4R!H-R_Ext-4R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Sp-5R!H-4R!H_Ext-4R!H-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Sp-5R!H-4R!H_Ext-4R!H-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2057, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Sp-5R!H-4R!H_Sp-6R!H-1R!H", + kinetics = ArrheniusBM(A=(1.502e-06,'m^3/(mol*s)'), n=3.105, w0=(301000,'J/mol'), E0=(57308.9,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Sp-5R!H-4R!H_Sp-6R!H-1R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Sp-5R!H-4R!H_Sp-6R!H-1R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Sp-5R!H-4R!H_Sp-6R!H-1R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Sp-5R!H-4R!H_Sp-6R!H-1R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2058, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Sp-5R!H-4R!H_N-Sp-6R!H-1R!H", + kinetics = ArrheniusBM(A=(9.3e-06,'m^3/(mol*s)'), n=3, w0=(301000,'J/mol'), E0=(30100,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Sp-5R!H-4R!H_N-Sp-6R!H-1R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Sp-5R!H-4R!H_N-Sp-6R!H-1R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Sp-5R!H-4R!H_N-Sp-6R!H-1R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Sp-5R!H-4R!H_N-Sp-6R!H-1R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2059, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(5.91247e-24,'m^3/(mol*s)'), n=8.57985, w0=(301000,'J/mol'), E0=(24572,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.11466399661009086, var=1.0197101172748297, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 2.3124959487610126"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 2.3124959487610126""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 2.3124959487610126 +""", +) + +entry( + index = 2060, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(7.08207e-20,'m^3/(mol*s)'), n=7.32852, w0=(301000,'J/mol'), E0=(23368.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3882599986821818, var=0.16864273560364915, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 1.7987948267236946"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.7987948267236946""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.7987948267236946 +""", +) + +entry( + index = 2061, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-5R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(6.31183e-07,'m^3/(mol*s)'), n=3.29128, w0=(301000,'J/mol'), E0=(61583.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0011999526707307665, var=0.1395359554974359, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-5R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-5R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 0.7518739583504735"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-5R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.7518739583504735""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-5R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.7518739583504735 +""", +) + +entry( + index = 2062, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_N-2R!H->O_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(3.6996e-06,'m^3/(mol*s)'), n=3.1797, w0=(301000,'J/mol'), E0=(63986.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.005493304728893209, var=0.02384118238450521, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_N-2R!H->O_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_N-2R!H->O_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 0.32334519986426713"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_N-2R!H->O_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.32334519986426713""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_N-2R!H->O_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.32334519986426713 +""", +) + +entry( + index = 2063, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.000100337,'m^3/(mol*s)'), n=3.02138, w0=(301000,'J/mol'), E0=(72137,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.011669237400321185, var=0.022880889668108875, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 0.33256454817023845"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.33256454817023845""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.33256454817023845 +""", +) + +entry( + index = 2064, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00812,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(75775.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_Sp-5R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2065, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.000723476,'m^3/(mol*s)'), n=2.62783, w0=(301000,'J/mol'), E0=(69326.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.00026567855579203787, var=0.03240226271124771, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.36153244815020585"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.36153244815020585""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.36153244815020585 +""", +) + +entry( + index = 2066, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_Sp-7R!H-6R!H", + kinetics = ArrheniusBM(A=(0.000655,'m^3/(mol*s)'), n=2.62, w0=(301000,'J/mol'), E0=(63344.2,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_Sp-7R!H-6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_Sp-7R!H-6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_Sp-7R!H-6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_Sp-7R!H-6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2067, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H", + kinetics = ArrheniusBM(A=(0.00129945,'m^3/(mol*s)'), n=2.80462, w0=(301000,'J/mol'), E0=(65844.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.004514131196729096, var=0.023362964922059283, Tref=1000.0, N=15, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H',), comment="""BM rule fitted to 15 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H + Total Standard Deviation in ln(k): 0.3177647613880175"""), + rank = 11, + shortDesc = """BM rule fitted to 15 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H +Total Standard Deviation in ln(k): 0.3177647613880175""", + longDesc = +""" +BM rule fitted to 15 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H +Total Standard Deviation in ln(k): 0.3177647613880175 +""", +) + +entry( + index = 2068, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0129,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(58246.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2069, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.012,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(58931.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2070, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-6R!H-2R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0103,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(60658.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-6R!H-2R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-6R!H-2R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-6R!H-2R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-6R!H-2R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2071, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-6R!H-2R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0095,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(61343.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-6R!H-2R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-6R!H-2R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-6R!H-2R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-6R!H-2R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2072, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-6R!H-2R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0111,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(63963.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-6R!H-2R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-6R!H-2R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-6R!H-2R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-6R!H-2R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2073, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-6R!H-2R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(4.75592e-06,'m^3/(mol*s)'), n=3.41216, w0=(301000,'J/mol'), E0=(57360.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08752857960386462, var=0.017407774365676205, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-6R!H-2R!H_N-4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-6R!H-2R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 0.48442284330565155"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-6R!H-2R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 0.48442284330565155""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-6R!H-2R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 0.48442284330565155 +""", +) + +entry( + index = 2074, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(1.77679e-22,'m^3/(mol*s)'), n=7.87205, w0=(295000,'J/mol'), E0=(6138.73,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.0013842170364804, var=0.5494216406478328, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R + Total Standard Deviation in ln(k): 4.0020101595722055"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 4.0020101595722055""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 4.0020101595722055 +""", +) + +entry( + index = 2075, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_1R!H-inRing", + kinetics = ArrheniusBM(A=(0.00056591,'m^3/(mol*s)'), n=2.65082, w0=(259000,'J/mol'), E0=(55542.1,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_1R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_1R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_1R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_1R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2076, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_N-1R!H-inRing", + kinetics = ArrheniusBM(A=(8.68418e-14,'m^3/(mol*s)'), n=5.07529, w0=(301000,'J/mol'), E0=(22966.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.23666479113422637, var=0.5010208633728447, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_N-1R!H-inRing',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_N-1R!H-inRing + Total Standard Deviation in ln(k): 2.013643320287505"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_N-1R!H-inRing +Total Standard Deviation in ln(k): 2.013643320287505""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_N-1R!H-inRing +Total Standard Deviation in ln(k): 2.013643320287505 +""", +) + +entry( + index = 2077, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(6.06909e-05,'m^3/(mol*s)'), n=2.82111, w0=(301000,'J/mol'), E0=(62542.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.020023286553298283, var=0.3753971804956721, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.2786042240259985"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.2786042240259985""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.2786042240259985 +""", +) + +entry( + index = 2078, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(9.61373e-12,'m^3/(mol*s)'), n=4.58209, w0=(301000,'J/mol'), E0=(2681.93,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.20581837632660463, var=0.1921035571062235, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R + Total Standard Deviation in ln(k): 1.3957993610580544"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 1.3957993610580544""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 1.3957993610580544 +""", +) + +entry( + index = 2079, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(1.22775e-08,'m^3/(mol*s)'), n=3.69111, w0=(301000,'J/mol'), E0=(6304.41,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12139284744752518, var=0.11035027258724851, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-3R-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-3R-R + Total Standard Deviation in ln(k): 0.9709603305469218"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 0.9709603305469218""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 0.9709603305469218 +""", +) + +entry( + index = 2080, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Sp-7R!H#6R!H", + kinetics = ArrheniusBM(A=(0.000569,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(63130,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Sp-7R!H#6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Sp-7R!H#6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Sp-7R!H#6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Sp-7R!H#6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2081, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_N-Sp-7R!H#6R!H", + kinetics = ArrheniusBM(A=(7.4953e-15,'m^3/(mol*s)'), n=5.83139, w0=(280000,'J/mol'), E0=(26647.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-2.9054644233404545, var=16.688307549195525, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_N-Sp-7R!H#6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_N-Sp-7R!H#6R!H + Total Standard Deviation in ln(k): 15.489770287871453"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_N-Sp-7R!H#6R!H +Total Standard Deviation in ln(k): 15.489770287871453""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_N-Sp-7R!H#6R!H +Total Standard Deviation in ln(k): 15.489770287871453 +""", +) + +entry( + index = 2082, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(3.52849e-11,'m^3/(mol*s)'), n=4.39554, w0=(301000,'J/mol'), E0=(13149.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.22620220055622825, var=0.24754059386539692, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_Ext-3R-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_Ext-3R-R + Total Standard Deviation in ln(k): 1.5657721325151188"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 1.5657721325151188""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 1.5657721325151188 +""", +) + +entry( + index = 2083, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_Sp-7R!H#6R!H", + kinetics = ArrheniusBM(A=(0.000495,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(65247.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_Sp-7R!H#6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_Sp-7R!H#6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_Sp-7R!H#6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_Sp-7R!H#6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2084, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_N-Sp-7R!H#6R!H", + kinetics = ArrheniusBM(A=(3.07242e-10,'m^3/(mol*s)'), n=4.51616, w0=(280000,'J/mol'), E0=(47964.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-2.6517201798042076, var=14.106444416916164, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_N-Sp-7R!H#6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_N-Sp-7R!H#6R!H + Total Standard Deviation in ln(k): 14.192107150265631"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_N-Sp-7R!H#6R!H +Total Standard Deviation in ln(k): 14.192107150265631""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_N-Sp-7R!H#6R!H +Total Standard Deviation in ln(k): 14.192107150265631 +""", +) + +entry( + index = 2085, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-3R-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(5.75097e-08,'m^3/(mol*s)'), n=3.4709, w0=(301000,'J/mol'), E0=(1958.57,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.002394850021232319, var=0.356372992461124, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-3R-R_Ext-3R-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-3R-R_Ext-3R-R + Total Standard Deviation in ln(k): 1.2027835938543532"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 1.2027835938543532""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 1.2027835938543532 +""", +) + +entry( + index = 2086, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-3R-R_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.000344,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(56559.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-3R-R_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-3R-R_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-3R-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-3R-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2087, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-3R-R_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.000446,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(55595.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-3R-R_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-3R-R_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-3R-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-3R-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2088, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(1.64409e-06,'m^3/(mol*s)'), n=3.13739, w0=(301000,'J/mol'), E0=(44323.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03348060831969772, var=2.745787845907058, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R + Total Standard Deviation in ln(k): 3.4060521455680486"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 3.4060521455680486""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 3.4060521455680486 +""", +) + +entry( + index = 2089, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-3R-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(1.12315e-05,'m^3/(mol*s)'), n=2.8995, w0=(301000,'J/mol'), E0=(51884.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.02393698927352913, var=2.2722425432125064, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-3R-R_Ext-3R-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-3R-R_Ext-3R-R + Total Standard Deviation in ln(k): 3.0820727210520644"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 3.0820727210520644""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 3.0820727210520644 +""", +) + +entry( + index = 2090, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-3R-R_Sp-6R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000273,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(54054.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-3R-R_Sp-6R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-3R-R_Sp-6R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-3R-R_Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-3R-R_Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2091, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-3R-R_N-Sp-6R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000294,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(62750.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-3R-R_N-Sp-6R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-3R-R_N-Sp-6R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-3R-R_N-Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-3R-R_N-Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2092, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.000286,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(41306.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2093, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Sp-6R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000227,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(46141.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Sp-6R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Sp-6R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2094, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-6R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000244,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(54212.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-6R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-6R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2095, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(2.62012e-12,'m^3/(mol*s)'), n=4.79317, w0=(301000,'J/mol'), E0=(20379.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2222422432700867, var=0.261572802199658, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 1.5837030839799373"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.5837030839799373""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.5837030839799373 +""", +) + +entry( + index = 2096, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R", + kinetics = ArrheniusBM(A=(1.14175e-11,'m^3/(mol*s)'), n=4.49264, w0=(301000,'J/mol'), E0=(18678.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.20227361260015933, var=0.20685954285707986, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R + Total Standard Deviation in ln(k): 1.4200150416340984"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R +Total Standard Deviation in ln(k): 1.4200150416340984""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R +Total Standard Deviation in ln(k): 1.4200150416340984 +""", +) + +entry( + index = 2097, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.00423464,'m^3/(mol*s)'), n=2.13248, w0=(301000,'J/mol'), E0=(69852.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.007290574429140627, var=0.18397679354844773, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R + Total Standard Deviation in ln(k): 0.8781993415924801"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.8781993415924801""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.8781993415924801 +""", +) + +entry( + index = 2098, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.000302469,'m^3/(mol*s)'), n=2.65295, w0=(301000,'J/mol'), E0=(50830.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.020469469318588666, var=0.449555349673571, Tref=1000.0, N=36, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 36 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 1.395583421319643"""), + rank = 11, + shortDesc = """BM rule fitted to 36 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.395583421319643""", + longDesc = +""" +BM rule fitted to 36 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.395583421319643 +""", +) + +entry( + index = 2099, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R", + kinetics = ArrheniusBM(A=(5.80279e-08,'m^3/(mol*s)'), n=3.58284, w0=(301000,'J/mol'), E0=(14220.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10982941895121633, var=0.2045065184958853, Tref=1000.0, N=16, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R',), comment="""BM rule fitted to 16 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R + Total Standard Deviation in ln(k): 1.18254256823349"""), + rank = 11, + shortDesc = """BM rule fitted to 16 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R +Total Standard Deviation in ln(k): 1.18254256823349""", + longDesc = +""" +BM rule fitted to 16 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R +Total Standard Deviation in ln(k): 1.18254256823349 +""", +) + +entry( + index = 2100, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(8.91349e-05,'m^3/(mol*s)'), n=2.75163, w0=(301000,'J/mol'), E0=(57916.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.01939597584622338, var=0.28960860262820737, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 1.127587712899264"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 1.127587712899264""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 1.127587712899264 +""", +) + +entry( + index = 2101, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(7.20108e-06,'m^3/(mol*s)'), n=3.10146, w0=(301000,'J/mol'), E0=(54106.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09125514848334726, var=0.4002648021012083, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 1.4976096933436163"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 1.4976096933436163""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 1.4976096933436163 +""", +) + +entry( + index = 2102, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.00566078,'m^3/(mol*s)'), n=2.23513, w0=(301000,'J/mol'), E0=(40800.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.015683882715901164, var=0.07156642958835296, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R + Total Standard Deviation in ln(k): 0.5757115169701132"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 0.5757115169701132""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 0.5757115169701132 +""", +) + +entry( + index = 2103, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.00103287,'m^3/(mol*s)'), n=2.45996, w0=(301000,'J/mol'), E0=(49162.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.012737462134991594, var=0.0717691004034495, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 0.5690673009658055"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.5690673009658055""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.5690673009658055 +""", +) + +entry( + index = 2104, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.0018,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(56893.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2105, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R_Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000851,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(53758.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R_Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R_Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2106, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R_N-Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000899,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(51150.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R_N-Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R_N-Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2107, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Sp-7R!H-2R!H", + kinetics = ArrheniusBM(A=(0.0125305,'m^3/(mol*s)'), n=2.1127, w0=(301000,'J/mol'), E0=(46346,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.022145307912827945, var=0.11934844701043978, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Sp-7R!H-2R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Sp-7R!H-2R!H + Total Standard Deviation in ln(k): 0.7482141885001744"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 0.7482141885001744""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 0.7482141885001744 +""", +) + +entry( + index = 2108, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-7R!H-2R!H", + kinetics = ArrheniusBM(A=(0.00162207,'m^3/(mol*s)'), n=2.42938, w0=(301000,'J/mol'), E0=(56387.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.011455381793546038, var=0.19149914927008088, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-7R!H-2R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-7R!H-2R!H + Total Standard Deviation in ln(k): 0.906066780770362"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 0.906066780770362""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 0.906066780770362 +""", +) + +entry( + index = 2109, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Sp-7R!H-2R!H_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.00404971,'m^3/(mol*s)'), n=2.26896, w0=(301000,'J/mol'), E0=(53618.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.011040319681688344, var=0.10585912824968761, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Sp-7R!H-2R!H_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Sp-7R!H-2R!H_Ext-5R!H-R + Total Standard Deviation in ln(k): 0.6800000973085787"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Sp-7R!H-2R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.6800000973085787""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Sp-7R!H-2R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.6800000973085787 +""", +) + +entry( + index = 2110, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_N-Sp-7R!H-2R!H_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.000538423,'m^3/(mol*s)'), n=2.58279, w0=(301000,'J/mol'), E0=(62290.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.004216187971048431, var=0.2895343416490101, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_N-Sp-7R!H-2R!H_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_N-Sp-7R!H-2R!H_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.0893092144601229"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_N-Sp-7R!H-2R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.0893092144601229""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_N-Sp-7R!H-2R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.0893092144601229 +""", +) + +entry( + index = 2111, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.00143,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(58102.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2112, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R_Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000677,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(54888.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R_Sp-8R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R_Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2113, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000715,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(52313.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2114, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.00154,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(63072,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2115, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000728,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(63875.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Sp-8R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2116, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000769,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(60962.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2117, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C_Ext-3C-R_Ext-3C-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.0314126,'m^3/(mol*s)'), n=2.00624, w0=(301000,'J/mol'), E0=(49555.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.013007232833047219, var=0.10297362846487812, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C_Ext-3C-R_Ext-3C-R_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C_Ext-3C-R_Ext-3C-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 0.6759910379035607"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C_Ext-3C-R_Ext-3C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.6759910379035607""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C_Ext-3C-R_Ext-3C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.6759910379035607 +""", +) + +entry( + index = 2118, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.00114,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(51452.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2119, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C_Ext-3C-R_Ext-5R!H-R_Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000541,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(49498.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C_Ext-3C-R_Ext-5R!H-R_Sp-8R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C_Ext-3C-R_Ext-5R!H-R_Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C_Ext-3C-R_Ext-5R!H-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C_Ext-3C-R_Ext-5R!H-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2120, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C_Ext-3C-R_Ext-5R!H-R_N-Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000571,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(46929.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C_Ext-3C-R_Ext-5R!H-R_N-Sp-8R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C_Ext-3C-R_Ext-5R!H-R_N-Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C_Ext-3C-R_Ext-5R!H-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C_Ext-3C-R_Ext-5R!H-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2121, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(9.38039e-09,'m^3/(mol*s)'), n=3.82632, w0=(301000,'J/mol'), E0=(25972.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04516025263819975, var=0.27465426699686607, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.164098859463708"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.164098859463708""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.164098859463708 +""", +) + +entry( + index = 2122, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.000473,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(45219.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2123, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00105,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(64155.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2124, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00116,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2125, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.00163589,'m^3/(mol*s)'), n=2.25144, w0=(301000,'J/mol'), E0=(49343.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0024008952714050266, var=0.005668187877433547, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Ext-3R-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Ext-3R-R + Total Standard Deviation in ln(k): 0.15696362898601768"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 0.15696362898601768""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 0.15696362898601768 +""", +) + +entry( + index = 2126, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000397,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(53583.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2127, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000437,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(54562.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2128, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.0822831,'m^3/(mol*s)'), n=2.00851, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4151556466844798, var=0.11650441432270024, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R + Total Standard Deviation in ln(k): 1.7273757112747836"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 1.7273757112747836""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 1.7273757112747836 +""", +) + +entry( + index = 2129, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H", + kinetics = ArrheniusBM(A=(0.0042,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2130, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00463,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2131, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing", + kinetics = ArrheniusBM(A=(3.7635e-10,'m^3/(mol*s)'), n=4.24346, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.17373139537750557, var=0.557665509467114, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing + Total Standard Deviation in ln(k): 1.9335871601814867"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing +Total Standard Deviation in ln(k): 1.9335871601814867""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing +Total Standard Deviation in ln(k): 1.9335871601814867 +""", +) + +entry( + index = 2132, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing", + kinetics = ArrheniusBM(A=(4.26362e-06,'m^3/(mol*s)'), n=3.22198, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07693982304110773, var=0.7573400982529293, Tref=1000.0, N=20, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing',), comment="""BM rule fitted to 20 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing + Total Standard Deviation in ln(k): 1.9379426396456993"""), + rank = 11, + shortDesc = """BM rule fitted to 20 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing +Total Standard Deviation in ln(k): 1.9379426396456993""", + longDesc = +""" +BM rule fitted to 20 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing +Total Standard Deviation in ln(k): 1.9379426396456993 +""", +) + +entry( + index = 2133, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-2C-R", + kinetics = ArrheniusBM(A=(0.00247768,'m^3/(mol*s)'), n=2.41669, w0=(301000,'J/mol'), E0=(65380.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.016404025532254108, var=0.010895822847641382, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-2C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-2C-R + Total Standard Deviation in ln(k): 0.2504765228938244"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-2C-R +Total Standard Deviation in ln(k): 0.2504765228938244""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-2C-R +Total Standard Deviation in ln(k): 0.2504765228938244 +""", +) + +entry( + index = 2134, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(1.64592e-13,'m^3/(mol*s)'), n=5.24231, w0=(301000,'J/mol'), E0=(15930,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.021738956020507155, var=1.3344500568164723, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-3R-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-3R-R + Total Standard Deviation in ln(k): 2.370458363372892"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 2.370458363372892""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 2.370458363372892 +""", +) + +entry( + index = 2135, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R_Sp-6R!H-2C", + kinetics = ArrheniusBM(A=(0.00229,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(67604.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R_Sp-6R!H-2C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R_Sp-6R!H-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R_Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R_Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2136, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R_N-Sp-6R!H-2C", + kinetics = ArrheniusBM(A=(0.00246,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R_N-Sp-6R!H-2C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R_N-Sp-6R!H-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R_N-Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R_N-Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2137, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-2C-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.00172,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-2C-R_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-2C-R_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-2C-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-2C-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2138, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-3R-R_Sp-6R!H-2C", + kinetics = ArrheniusBM(A=(0.00136,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-3R-R_Sp-6R!H-2C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-3R-R_Sp-6R!H-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-3R-R_Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-3R-R_Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2139, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-3R-R_N-Sp-6R!H-2C", + kinetics = ArrheniusBM(A=(0.00147,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-3R-R_N-Sp-6R!H-2C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-3R-R_N-Sp-6R!H-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-3R-R_N-Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-3R-R_N-Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2140, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing", + kinetics = ArrheniusBM(A=(5.66886e-08,'m^3/(mol*s)'), n=3.72092, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12421733195924288, var=0.40327457309819176, Tref=1000.0, N=16, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing',), comment="""BM rule fitted to 16 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing + Total Standard Deviation in ln(k): 1.5851888735839965"""), + rank = 11, + shortDesc = """BM rule fitted to 16 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing +Total Standard Deviation in ln(k): 1.5851888735839965""", + longDesc = +""" +BM rule fitted to 16 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing +Total Standard Deviation in ln(k): 1.5851888735839965 +""", +) + +entry( + index = 2141, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing", + kinetics = ArrheniusBM(A=(220.955,'m^3/(mol*s)'), n=1.15753, w0=(301000,'J/mol'), E0=(71619.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.14051227721433893, var=0.22637503045245433, Tref=1000.0, N=40, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing',), comment="""BM rule fitted to 40 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing + Total Standard Deviation in ln(k): 1.3068765210846947"""), + rank = 11, + shortDesc = """BM rule fitted to 40 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing +Total Standard Deviation in ln(k): 1.3068765210846947""", + longDesc = +""" +BM rule fitted to 40 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing +Total Standard Deviation in ln(k): 1.3068765210846947 +""", +) + +entry( + index = 2142, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.00289868,'m^3/(mol*s)'), n=2.47281, w0=(301000,'J/mol'), E0=(54176.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.010673388010524434, var=0.23031814797345956, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-3R-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-3R-R + Total Standard Deviation in ln(k): 0.9889194510008529"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-3R-R +Total Standard Deviation in ln(k): 0.9889194510008529""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-3R-R +Total Standard Deviation in ln(k): 0.9889194510008529 +""", +) + +entry( + index = 2143, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.00626922,'m^3/(mol*s)'), n=2.45918, w0=(301000,'J/mol'), E0=(58441.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07659820675608514, var=0.4500694313258102, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.537378722052531"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.537378722052531""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.537378722052531 +""", +) + +entry( + index = 2144, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_Sp-7R!H-2C", + kinetics = ArrheniusBM(A=(0.00253602,'m^3/(mol*s)'), n=2.4669, w0=(301000,'J/mol'), E0=(56195.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.017192204563916333, var=0.27593382784566456, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_Sp-7R!H-2C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_Sp-7R!H-2C + Total Standard Deviation in ln(k): 1.0962718806419005"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_Sp-7R!H-2C +Total Standard Deviation in ln(k): 1.0962718806419005""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_Sp-7R!H-2C +Total Standard Deviation in ln(k): 1.0962718806419005 +""", +) + +entry( + index = 2145, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_N-Sp-7R!H-2C", + kinetics = ArrheniusBM(A=(0.00108464,'m^3/(mol*s)'), n=2.62674, w0=(301000,'J/mol'), E0=(66145,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0937910010528453, var=0.3164233232237088, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_N-Sp-7R!H-2C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_N-Sp-7R!H-2C + Total Standard Deviation in ln(k): 1.3633496864217827"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_N-Sp-7R!H-2C +Total Standard Deviation in ln(k): 1.3633496864217827""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_N-Sp-7R!H-2C +Total Standard Deviation in ln(k): 1.3633496864217827 +""", +) + +entry( + index = 2146, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Sp-7R!H-2C_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(1.25893e-09,'m^3/(mol*s)'), n=4.32254, w0=(301000,'J/mol'), E0=(23589.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08041529202639822, var=0.4831732088098817, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Sp-7R!H-2C_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Sp-7R!H-2C_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.5955530897867083"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Sp-7R!H-2C_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.5955530897867083""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Sp-7R!H-2C_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.5955530897867083 +""", +) + +entry( + index = 2147, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_N-Sp-7R!H-2C_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.00247299,'m^3/(mol*s)'), n=2.60645, w0=(301000,'J/mol'), E0=(69754.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0015530598875036568, var=0.11168022432503448, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_N-Sp-7R!H-2C_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_N-Sp-7R!H-2C_Ext-5R!H-R + Total Standard Deviation in ln(k): 0.6738563823156928"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_N-Sp-7R!H-2C_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.6738563823156928""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_N-Sp-7R!H-2C_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.6738563823156928 +""", +) + +entry( + index = 2148, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.00509,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(56082.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2149, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-5R!H-R_Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00241,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(55355.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-5R!H-R_Sp-8R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-5R!H-R_Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-5R!H-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-5R!H-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2150, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-5R!H-R_N-Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00254,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(52593,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-5R!H-R_N-Sp-8R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-5R!H-R_N-Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-5R!H-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-5R!H-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2151, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R", + kinetics = ArrheniusBM(A=(1.73539e-05,'m^3/(mol*s)'), n=3.11078, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0664029540802218, var=0.25682253998426535, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R + Total Standard Deviation in ln(k): 1.1827944545521694"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R +Total Standard Deviation in ln(k): 1.1827944545521694""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R +Total Standard Deviation in ln(k): 1.1827944545521694 +""", +) + +entry( + index = 2152, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R", + kinetics = ArrheniusBM(A=(4.84439e-06,'m^3/(mol*s)'), n=3.13673, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06886232157355175, var=0.27060704297515126, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R + Total Standard Deviation in ln(k): 1.215882174578934"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R +Total Standard Deviation in ln(k): 1.215882174578934""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R +Total Standard Deviation in ln(k): 1.215882174578934 +""", +) + +entry( + index = 2153, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(6.82978e-06,'m^3/(mol*s)'), n=3.18621, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.8026342502566609, var=0.11581210369568629, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-5R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-5R!H-R + Total Standard Deviation in ln(k): 2.6989039215907047"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-5R!H-R +Total Standard Deviation in ln(k): 2.6989039215907047""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-5R!H-R +Total Standard Deviation in ln(k): 2.6989039215907047 +""", +) + +entry( + index = 2154, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R", + kinetics = ArrheniusBM(A=(0.289613,'m^3/(mol*s)'), n=2.01527, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.03740289580311043, var=0.7992137424802147, Tref=1000.0, N=18, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R',), comment="""BM rule fitted to 18 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R + Total Standard Deviation in ln(k): 1.8861853286519272"""), + rank = 11, + shortDesc = """BM rule fitted to 18 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R +Total Standard Deviation in ln(k): 1.8861853286519272""", + longDesc = +""" +BM rule fitted to 18 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R +Total Standard Deviation in ln(k): 1.8861853286519272 +""", +) + +entry( + index = 2155, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.0215184,'m^3/(mol*s)'), n=2.24697, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.015447909113244273, var=0.18650894482934405, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R + Total Standard Deviation in ln(k): 0.9045923923051304"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R +Total Standard Deviation in ln(k): 0.9045923923051304""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R +Total Standard Deviation in ln(k): 0.9045923923051304 +""", +) + +entry( + index = 2156, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.0306059,'m^3/(mol*s)'), n=2.29564, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.01083659266080233, var=0.16072254342823575, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R + Total Standard Deviation in ln(k): 0.83093024634519"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.83093024634519""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.83093024634519 +""", +) + +entry( + index = 2157, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00774,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2158, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.01,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2159, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.000460667,'m^3/(mol*s)'), n=2.74013, w0=(301000,'J/mol'), E0=(48385.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.23079424998850975, var=0.24851026788046837, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R + Total Standard Deviation in ln(k): 1.5792616082658189"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R +Total Standard Deviation in ln(k): 1.5792616082658189""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R +Total Standard Deviation in ln(k): 1.5792616082658189 +""", +) + +entry( + index = 2160, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(7.21402e-05,'m^3/(mol*s)'), n=3.05496, w0=(301000,'J/mol'), E0=(46600.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.1347611730486316, var=0.11858768424130868, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-5R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 3.5415205757681596"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 3.5415205757681596""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 3.5415205757681596 +""", +) + +entry( + index = 2161, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(4.72182e-05,'m^3/(mol*s)'), n=3.02994, w0=(301000,'J/mol'), E0=(48639.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.012832720703077173, var=0.08084494182091002, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 0.6022542519333386"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.6022542519333386""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.6022542519333386 +""", +) + +entry( + index = 2162, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Sp-6R!H-2C", + kinetics = ArrheniusBM(A=(0.00366,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Sp-6R!H-2C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Sp-6R!H-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2163, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_N-Sp-6R!H-2C", + kinetics = ArrheniusBM(A=(0.00393,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_N-Sp-6R!H-2C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_N-Sp-6R!H-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_N-Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_N-Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2164, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000360588,'m^3/(mol*s)'), n=2.84716, w0=(301000,'J/mol'), E0=(54644.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.6908169274008018, var=0.044565205946042095, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H + Total Standard Deviation in ln(k): 4.671492789283638"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 4.671492789283638""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 4.671492789283638 +""", +) + +entry( + index = 2165, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H", + kinetics = ArrheniusBM(A=(6.0991e-06,'m^3/(mol*s)'), n=3.36292, w0=(301000,'J/mol'), E0=(47185.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.403979711519866, var=0.041733974614588255, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H + Total Standard Deviation in ln(k): 3.937132436520072"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 3.937132436520072""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 3.937132436520072 +""", +) + +entry( + index = 2166, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.0208,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2167, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Sp-7R!H=5R!H", + kinetics = ArrheniusBM(A=(0.0048,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(52019.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Sp-7R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Sp-7R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2168, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_N-Sp-7R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00529,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_N-Sp-7R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_N-Sp-7R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_N-Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_N-Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2169, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-7R!H-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.0296,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-7R!H-R_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-7R!H-R_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-7R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-7R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2170, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-3R-R_Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00971,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-3R-R_Sp-6R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-3R-R_Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-3R-R_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-3R-R_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2171, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-3R-R_N-Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(0.0114,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-3R-R_N-Sp-6R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-3R-R_N-Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-3R-R_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-3R-R_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2172, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.00435,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(28950,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2173, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.0121,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(28950,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2174, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.0578,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(28950,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2175, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.16,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(28950,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2176, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.011,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2177, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Sp-10R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00518,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(72445.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Sp-10R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Sp-10R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Sp-10R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Sp-10R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2178, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_N-Sp-10R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00547,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(69979.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_N-Sp-10R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_N-Sp-10R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_N-Sp-10R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_N-Sp-10R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2179, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-4R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.00517,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(71966.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-4R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-4R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-4R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-4R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2180, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-4R!H-R_Sp-9R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00244,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(71286,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-4R!H-R_Sp-9R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-4R!H-R_Sp-9R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-4R!H-R_Sp-9R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-4R!H-R_Sp-9R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2181, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-4R!H-R_N-Sp-9R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00258,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(68814.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-4R!H-R_N-Sp-9R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-4R!H-R_N-Sp-9R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-4R!H-R_N-Sp-9R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-4R!H-R_N-Sp-9R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2182, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-4R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.0548,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-4R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-4R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-4R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-4R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2183, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-4R!H-R_Sp-10R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0259,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-4R!H-R_Sp-10R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-4R!H-R_Sp-10R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-4R!H-R_Sp-10R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-4R!H-R_Sp-10R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2184, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-4R!H-R_N-Sp-10R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0273,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-4R!H-R_N-Sp-10R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-4R!H-R_N-Sp-10R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-4R!H-R_N-Sp-10R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-4R!H-R_N-Sp-10R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2185, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Ext-5R!H-R_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.018,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Ext-5R!H-R_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Ext-5R!H-R_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Ext-5R!H-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Ext-5R!H-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2186, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Ext-5R!H-R_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.021,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(64258,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Ext-5R!H-R_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Ext-5R!H-R_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Ext-5R!H-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Ext-5R!H-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2187, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Sp-9R!H=4R!H_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00849,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(62454.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Sp-9R!H=4R!H_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Sp-9R!H=4R!H_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Sp-9R!H=4R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Sp-9R!H=4R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2188, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Sp-9R!H=4R!H_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00993,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(62584.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Sp-9R!H=4R!H_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Sp-9R!H=4R!H_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Sp-9R!H=4R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Sp-9R!H=4R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2189, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_N-Sp-9R!H=4R!H_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00897,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(59944.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_N-Sp-9R!H=4R!H_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_N-Sp-9R!H=4R!H_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_N-Sp-9R!H=4R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_N-Sp-9R!H=4R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2190, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_N-Sp-9R!H=4R!H_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.0105,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(60075.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_N-Sp-9R!H=4R!H_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_N-Sp-9R!H=4R!H_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_N-Sp-9R!H=4R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_N-Sp-9R!H=4R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2191, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_5R!H-inRing_1R!H-inRing", + kinetics = ArrheniusBM(A=(3.13726e-09,'m^3/(mol*s)'), n=4.39116, w0=(280000,'J/mol'), E0=(52108.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0477923671082212, var=1.4921024155650222, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_5R!H-inRing_1R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_5R!H-inRing_1R!H-inRing + Total Standard Deviation in ln(k): 2.568898181222824"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_5R!H-inRing_1R!H-inRing +Total Standard Deviation in ln(k): 2.568898181222824""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_5R!H-inRing_1R!H-inRing +Total Standard Deviation in ln(k): 2.568898181222824 +""", +) + +entry( + index = 2192, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_5R!H-inRing_N-1R!H-inRing", + kinetics = ArrheniusBM(A=(1.6831e-15,'m^3/(mol*s)'), n=5.87009, w0=(301000,'J/mol'), E0=(22370.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=3.5778880486938918, var=1.2474456404110918, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_5R!H-inRing_N-1R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_5R!H-inRing_N-1R!H-inRing + Total Standard Deviation in ln(k): 11.228739150116494"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_5R!H-inRing_N-1R!H-inRing +Total Standard Deviation in ln(k): 11.228739150116494""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_5R!H-inRing_N-1R!H-inRing +Total Standard Deviation in ln(k): 11.228739150116494 +""", +) + +entry( + index = 2193, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-5R!H-inRing_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(1.95803e-11,'m^3/(mol*s)'), n=4.8452, w0=(301000,'J/mol'), E0=(24287.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2946169599918697, var=0.8554993698021628, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-5R!H-inRing_Ext-5R!H-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-5R!H-inRing_Ext-5R!H-R + Total Standard Deviation in ln(k): 2.594487421681247"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-5R!H-inRing_Ext-5R!H-R +Total Standard Deviation in ln(k): 2.594487421681247""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-5R!H-inRing_Ext-5R!H-R +Total Standard Deviation in ln(k): 2.594487421681247 +""", +) + +entry( + index = 2194, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-5R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.00473,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(68850.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-5R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-5R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-5R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-5R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2195, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_N-Sp-6R!H-=4R!H_Int-6R!H-5R!H_Ext-4R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.00026461,'m^3/(mol*s)'), n=3.08981, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(303.03,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_N-Sp-6R!H-=4R!H_Int-6R!H-5R!H_Ext-4R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_N-Sp-6R!H-=4R!H_Int-6R!H-5R!H_Ext-4R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_N-Sp-6R!H-=4R!H_Int-6R!H-5R!H_Ext-4R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_N-Sp-6R!H-=4R!H_Int-6R!H-5R!H_Ext-4R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2196, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_N-Sp-6R!H-=4R!H_Int-6R!H-5R!H_Sp-6R!H-4R!H_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.005064,'m^3/(mol*s)'), n=2.608, w0=(301000,'J/mol'), E0=(30100,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_N-Sp-6R!H-=4R!H_Int-6R!H-5R!H_Sp-6R!H-4R!H_Ext-5R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_N-Sp-6R!H-=4R!H_Int-6R!H-5R!H_Sp-6R!H-4R!H_Ext-5R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_N-Sp-6R!H-=4R!H_Int-6R!H-5R!H_Sp-6R!H-4R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_N-Sp-6R!H-=4R!H_Int-6R!H-5R!H_Sp-6R!H-4R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2197, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_5R!H-inRing_Ext-2R!H-R_Ext-4R!H-R_Sp-7R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0103,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_5R!H-inRing_Ext-2R!H-R_Ext-4R!H-R_Sp-7R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_5R!H-inRing_Ext-2R!H-R_Ext-4R!H-R_Sp-7R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_5R!H-inRing_Ext-2R!H-R_Ext-4R!H-R_Sp-7R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_5R!H-inRing_Ext-2R!H-R_Ext-4R!H-R_Sp-7R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2198, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_5R!H-inRing_Ext-2R!H-R_Ext-4R!H-R_N-Sp-7R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0114,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_5R!H-inRing_Ext-2R!H-R_Ext-4R!H-R_N-Sp-7R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_5R!H-inRing_Ext-2R!H-R_Ext-4R!H-R_N-Sp-7R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_5R!H-inRing_Ext-2R!H-R_Ext-4R!H-R_N-Sp-7R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_5R!H-inRing_Ext-2R!H-R_Ext-4R!H-R_N-Sp-7R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2199, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(3.18133e-06,'m^3/(mol*s)'), n=3.60878, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.11359216440189365, var=0.27068063991666563, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 1.3284105180891446"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.3284105180891446""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.3284105180891446 +""", +) + +entry( + index = 2200, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(5.34794e-05,'m^3/(mol*s)'), n=3.16029, w0=(301000,'J/mol'), E0=(52940.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03313675443113085, var=0.029439567222295796, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_Ext-4R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_Ext-4R!H-R + Total Standard Deviation in ln(k): 0.4272298668870741"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 0.4272298668870741""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 0.4272298668870741 +""", +) + +entry( + index = 2201, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(0.0128,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_Sp-6R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2202, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_N-Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(0.015,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_N-Sp-6R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_N-Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2203, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-4R!H-R_Sp-7R!H=4R!H", + kinetics = ArrheniusBM(A=(0.000408368,'m^3/(mol*s)'), n=2.89731, w0=(301000,'J/mol'), E0=(56048.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.0183875814272647, var=2.904601872416425, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-4R!H-R_Sp-7R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-4R!H-R_Sp-7R!H=4R!H + Total Standard Deviation in ln(k): 5.9754112234629995"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-4R!H-R_Sp-7R!H=4R!H +Total Standard Deviation in ln(k): 5.9754112234629995""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-4R!H-R_Sp-7R!H=4R!H +Total Standard Deviation in ln(k): 5.9754112234629995 +""", +) + +entry( + index = 2204, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-4R!H-R_N-Sp-7R!H=4R!H", + kinetics = ArrheniusBM(A=(4.46157e-08,'m^3/(mol*s)'), n=4.02082, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.6656559791168943, var=0.18202992698289705, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-4R!H-R_N-Sp-7R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-4R!H-R_N-Sp-7R!H=4R!H + Total Standard Deviation in ln(k): 5.040384800647845"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-4R!H-R_N-Sp-7R!H=4R!H +Total Standard Deviation in ln(k): 5.040384800647845""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-4R!H-R_N-Sp-7R!H=4R!H +Total Standard Deviation in ln(k): 5.040384800647845 +""", +) + +entry( + index = 2205, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Sp-4R!H-1R!H_Ext-4R!H-R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(8.44045e-05,'m^3/(mol*s)'), n=3.08977, w0=(301000,'J/mol'), E0=(54668.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0022044090857385266, var=0.0006723644799084154, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Sp-4R!H-1R!H_Ext-4R!H-R_Ext-2R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Sp-4R!H-1R!H_Ext-4R!H-R_Ext-2R!H-R + Total Standard Deviation in ln(k): 0.05752148061330966"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Sp-4R!H-1R!H_Ext-4R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.05752148061330966""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Sp-4R!H-1R!H_Ext-4R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.05752148061330966 +""", +) + +entry( + index = 2206, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Sp-4R!H-1R!H_Ext-4R!H-R_Sp-6R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0133,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(61649.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Sp-4R!H-1R!H_Ext-4R!H-R_Sp-6R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Sp-4R!H-1R!H_Ext-4R!H-R_Sp-6R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Sp-4R!H-1R!H_Ext-4R!H-R_Sp-6R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Sp-4R!H-1R!H_Ext-4R!H-R_Sp-6R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2207, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Sp-4R!H-1R!H_Ext-4R!H-R_N-Sp-6R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0146,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(62839,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Sp-4R!H-1R!H_Ext-4R!H-R_N-Sp-6R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Sp-4R!H-1R!H_Ext-4R!H-R_N-Sp-6R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Sp-4R!H-1R!H_Ext-4R!H-R_N-Sp-6R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Sp-4R!H-1R!H_Ext-4R!H-R_N-Sp-6R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2208, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_4R!H-u0_4R!H->C_Sp-4C-1R!H_N-4C-inRing_Ext-4C-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(5.68014e-19,'m^3/(mol*s)'), n=6.85808, w0=(301000,'J/mol'), E0=(13941.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.023376498809134994, var=31.664061077645332, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_4R!H-u0_4R!H->C_Sp-4C-1R!H_N-4C-inRing_Ext-4C-R_Ext-5R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_4R!H-u0_4R!H->C_Sp-4C-1R!H_N-4C-inRing_Ext-4C-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 11.33954523687092"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_4R!H-u0_4R!H->C_Sp-4C-1R!H_N-4C-inRing_Ext-4C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.33954523687092""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_4R!H-u0_4R!H->C_Sp-4C-1R!H_N-4C-inRing_Ext-4C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.33954523687092 +""", +) + +entry( + index = 2209, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_4R!H-u0_4R!H->C_Sp-4C-1R!H_N-4C-inRing_Ext-4C-R_Sp-5R!H=4C", + kinetics = ArrheniusBM(A=(0.0132,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(63035.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_4R!H-u0_4R!H->C_Sp-4C-1R!H_N-4C-inRing_Ext-4C-R_Sp-5R!H=4C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_4R!H-u0_4R!H->C_Sp-4C-1R!H_N-4C-inRing_Ext-4C-R_Sp-5R!H=4C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_4R!H-u0_4R!H->C_Sp-4C-1R!H_N-4C-inRing_Ext-4C-R_Sp-5R!H=4C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_4R!H-u0_4R!H->C_Sp-4C-1R!H_N-4C-inRing_Ext-4C-R_Sp-5R!H=4C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2210, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_4R!H-u0_4R!H->C_Sp-4C-1R!H_N-4C-inRing_Ext-4C-R_N-Sp-5R!H=4C", + kinetics = ArrheniusBM(A=(0.0146,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(64687.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_4R!H-u0_4R!H->C_Sp-4C-1R!H_N-4C-inRing_Ext-4C-R_N-Sp-5R!H=4C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_4R!H-u0_4R!H->C_Sp-4C-1R!H_N-4C-inRing_Ext-4C-R_N-Sp-5R!H=4C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_4R!H-u0_4R!H->C_Sp-4C-1R!H_N-4C-inRing_Ext-4C-R_N-Sp-5R!H=4C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_4R!H-u0_4R!H->C_Sp-4C-1R!H_N-4C-inRing_Ext-4C-R_N-Sp-5R!H=4C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2211, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_N-Sp-5R!H-4R!H_4R!H-inRing_Ext-2CNO-R", + kinetics = ArrheniusBM(A=(5.00099e-07,'m^3/(mol*s)'), n=3.52914, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=2.5242742390483857, var=2.499676395099493, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_N-Sp-5R!H-4R!H_4R!H-inRing_Ext-2CNO-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_N-Sp-5R!H-4R!H_4R!H-inRing_Ext-2CNO-R + Total Standard Deviation in ln(k): 9.511956903545707"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_N-Sp-5R!H-4R!H_4R!H-inRing_Ext-2CNO-R +Total Standard Deviation in ln(k): 9.511956903545707""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_N-Sp-5R!H-4R!H_4R!H-inRing_Ext-2CNO-R +Total Standard Deviation in ln(k): 9.511956903545707 +""", +) + +entry( + index = 2212, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-4R!H-inRing_Ext-2CNO-R", + kinetics = ArrheniusBM(A=(2.83486e-05,'m^3/(mol*s)'), n=3.31517, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08577048122487381, var=1.8022230243861654, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-4R!H-inRing_Ext-2CNO-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-4R!H-inRing_Ext-2CNO-R + Total Standard Deviation in ln(k): 2.9067984225754944"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-4R!H-inRing_Ext-2CNO-R +Total Standard Deviation in ln(k): 2.9067984225754944""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-4R!H-inRing_Ext-2CNO-R +Total Standard Deviation in ln(k): 2.9067984225754944 +""", +) + +entry( + index = 2213, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-4R!H-inRing_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0236,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-4R!H-inRing_Sp-5R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-4R!H-inRing_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-4R!H-inRing_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-4R!H-inRing_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2214, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-4R!H-inRing_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0306,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-4R!H-inRing_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-4R!H-inRing_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-4R!H-inRing_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-4R!H-inRing_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2215, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.0141,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2216, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00461,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2217, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.0054,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2218, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.0118,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2219, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(0.0056,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2220, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00591,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2221, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(847.824,'m^3/(mol*s)'), n=1.15931, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11851068775820381, var=0.3189721896223368, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.429992265668201"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.429992265668201""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.429992265668201 +""", +) + +entry( + index = 2222, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(6.58789,'m^3/(mol*s)'), n=1.69462, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.7397318795468915, var=0.024999442163206688, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 2.1755957239796295"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 2.1755957239796295""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 2.1755957239796295 +""", +) + +entry( + index = 2223, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(3.78331,'m^3/(mol*s)'), n=1.67029, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.7648928278307994, var=0.023296401235072154, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 2.2278271715783484"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 2.2278271715783484""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 2.2278271715783484 +""", +) + +entry( + index = 2224, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(9.44356,'m^3/(mol*s)'), n=1.56323, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.8756010002799939, var=0.023509182574820278, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 2.507382617686776"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 2.507382617686776""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 2.507382617686776 +""", +) + +entry( + index = 2225, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.0171,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2226, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00809,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2227, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00854,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2228, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.0222,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2229, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.0105,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2230, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.0111,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2231, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(214863,'m^3/(mol*s)'), n=0.529094, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.9449400996238853, var=0.11758886793233782, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 5.574232551786623"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 5.574232551786623""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 5.574232551786623 +""", +) + +entry( + index = 2232, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(496.146,'m^3/(mol*s)'), n=1.14957, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.3033359183842341, var=0.024731484038347334, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-9R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 3.5899829499866174"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 3.5899829499866174""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 3.5899829499866174 +""", +) + +entry( + index = 2233, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(5087.17,'m^3/(mol*s)'), n=0.872181, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.5901731342651704, var=0.024321417426155734, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-9R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 4.308054843770723"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 4.308054843770723""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 4.308054843770723 +""", +) + +entry( + index = 2234, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-5R!H-R_Sp-8R!H=5R!H_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.0161,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-5R!H-R_Sp-8R!H=5R!H_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-5R!H-R_Sp-8R!H=5R!H_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-5R!H-R_Sp-8R!H=5R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-5R!H-R_Sp-8R!H=5R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2235, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-5R!H-R_Sp-8R!H=5R!H_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.0209,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-5R!H-R_Sp-8R!H=5R!H_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-5R!H-R_Sp-8R!H=5R!H_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-5R!H-R_Sp-8R!H=5R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-5R!H-R_Sp-8R!H=5R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2236, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.0178,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2237, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.023,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2238, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(0.013,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(28950,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2239, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(0.0359,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(28950,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2240, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_N-Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(0.172,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(28950,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_N-Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_N-Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_N-Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_N-Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2241, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_N-Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(0.477,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(28950,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_N-Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_N-Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_N-Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_N-Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2242, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(0.0181,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-8R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2243, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(0.0199,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-8R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2244, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H_Sp-6R!H-2R!H", + kinetics = ArrheniusBM(A=(0.0144,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H_Sp-6R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H_Sp-6R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H_Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H_Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2245, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H_N-Sp-6R!H-2R!H", + kinetics = ArrheniusBM(A=(0.0154,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H_N-Sp-6R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H_N-Sp-6R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H_N-Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H_N-Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2246, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H_Sp-6R!H-2R!H", + kinetics = ArrheniusBM(A=(0.0158,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H_Sp-6R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H_Sp-6R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H_Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H_Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2247, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H_N-Sp-6R!H-2R!H", + kinetics = ArrheniusBM(A=(0.017,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H_N-Sp-6R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H_N-Sp-6R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H_N-Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H_N-Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2248, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing", + kinetics = ArrheniusBM(A=(0.0373146,'m^3/(mol*s)'), n=1.81234, w0=(301000,'J/mol'), E0=(82190,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.014533078019512785, var=0.12634567857631263, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing + Total Standard Deviation in ln(k): 0.7491011071914288"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing +Total Standard Deviation in ln(k): 0.7491011071914288""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing +Total Standard Deviation in ln(k): 0.7491011071914288 +""", +) + +entry( + index = 2249, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing", + kinetics = ArrheniusBM(A=(0.000619604,'m^3/(mol*s)'), n=2.48055, w0=(301000,'J/mol'), E0=(74759.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04376146117816616, var=0.2928923974953597, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing + Total Standard Deviation in ln(k): 1.1949067045656439"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing +Total Standard Deviation in ln(k): 1.1949067045656439""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing +Total Standard Deviation in ln(k): 1.1949067045656439 +""", +) + +entry( + index = 2250, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.000533,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(52358.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2251, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-1R!H-R_Sp-10R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000424,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(53034.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-1R!H-R_Sp-10R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-1R!H-R_Sp-10R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-1R!H-R_Sp-10R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-1R!H-R_Sp-10R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2252, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-1R!H-R_N-Sp-10R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000456,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(64825.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-1R!H-R_N-Sp-10R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-1R!H-R_N-Sp-10R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-1R!H-R_N-Sp-10R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-1R!H-R_N-Sp-10R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2253, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.00172534,'m^3/(mol*s)'), n=2.38123, w0=(301000,'J/mol'), E0=(82836.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0002159907881004036, var=0.031932390415529754, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 0.35878155902387293"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.35878155902387293""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.35878155902387293 +""", +) + +entry( + index = 2254, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(0.000455,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(76762.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-1R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-1R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2255, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.000106376,'m^3/(mol*s)'), n=2.84286, w0=(301000,'J/mol'), E0=(76122.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.050074756385542624, var=0.38725829436602516, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 1.373364227258313"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.373364227258313""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.373364227258313 +""", +) + +entry( + index = 2256, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(0.0058174,'m^3/(mol*s)'), n=2.27633, w0=(301000,'J/mol'), E0=(75249.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.2884970549243276e-05, var=0.013872103097171145, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R + Total Standard Deviation in ln(k): 0.23614985637333802"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 0.23614985637333802""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 0.23614985637333802 +""", +) + +entry( + index = 2257, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.00157,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(73668.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2258, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.00203,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(74478.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2259, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing", + kinetics = ArrheniusBM(A=(0.64016,'m^3/(mol*s)'), n=1.57736, w0=(301000,'J/mol'), E0=(78030.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.013978808335871784, var=0.3366912309298268, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing + Total Standard Deviation in ln(k): 1.1983721810995804"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing +Total Standard Deviation in ln(k): 1.1983721810995804""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing +Total Standard Deviation in ln(k): 1.1983721810995804 +""", +) + +entry( + index = 2260, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing", + kinetics = ArrheniusBM(A=(0.0063494,'m^3/(mol*s)'), n=2.30934, w0=(301000,'J/mol'), E0=(69675,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0381539463468735, var=0.4215959778877516, Tref=1000.0, N=20, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing',), comment="""BM rule fitted to 20 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing + Total Standard Deviation in ln(k): 1.3975471445424772"""), + rank = 11, + shortDesc = """BM rule fitted to 20 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing +Total Standard Deviation in ln(k): 1.3975471445424772""", + longDesc = +""" +BM rule fitted to 20 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing +Total Standard Deviation in ln(k): 1.3975471445424772 +""", +) + +entry( + index = 2261, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.940253,'m^3/(mol*s)'), n=1.62499, w0=(301000,'J/mol'), E0=(54987.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.004435026601485085, var=0.15271661695177943, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 0.7945731724824626"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.7945731724824626""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.7945731724824626 +""", +) + +entry( + index = 2262, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-11R!H-2R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(5.72006,'m^3/(mol*s)'), n=1.38265, w0=(301000,'J/mol'), E0=(58893.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.011995538242472487, var=0.15167154565689264, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-11R!H-2R!H_Ext-8R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-11R!H-2R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 0.8108842450516048"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-11R!H-2R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.8108842450516048""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-11R!H-2R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.8108842450516048 +""", +) + +entry( + index = 2263, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_N-Sp-11R!H-2R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.205196,'m^3/(mol*s)'), n=1.89016, w0=(301000,'J/mol'), E0=(69620.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.010786829678073604, var=0.4845232315438388, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_N-Sp-11R!H-2R!H_Ext-8R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_N-Sp-11R!H-2R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.4225526255244774"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_N-Sp-11R!H-2R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.4225526255244774""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_N-Sp-11R!H-2R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.4225526255244774 +""", +) + +entry( + index = 2264, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.0216198,'m^3/(mol*s)'), n=2.18463, w0=(301000,'J/mol'), E0=(78801.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.006577629734840496, var=0.5002493069509747, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 1.4344418395439833"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.4344418395439833""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.4344418395439833 +""", +) + +entry( + index = 2265, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(6.36815,'m^3/(mol*s)'), n=1.34091, w0=(301000,'J/mol'), E0=(78940.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.006919070744240172, var=0.2501843192458505, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.0201215817316216"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.0201215817316216""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.0201215817316216 +""", +) + +entry( + index = 2266, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.000575861,'m^3/(mol*s)'), n=2.74949, w0=(301000,'J/mol'), E0=(71123.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.051026451005822, var=0.5454391084573393, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 1.6087811900742148"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.6087811900742148""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.6087811900742148 +""", +) + +entry( + index = 2267, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.0564798,'m^3/(mol*s)'), n=2.08618, w0=(301000,'J/mol'), E0=(70546.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.006789443527006494, var=0.8245496992811429, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 1.8374529570720897"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 1.8374529570720897""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 1.8374529570720897 +""", +) + +entry( + index = 2268, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.00207476,'m^3/(mol*s)'), n=2.54606, w0=(301000,'J/mol'), E0=(68523,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-3.1603713289696136e-05, var=0.7980546138594056, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 1.7909874860419583"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 1.7909874860419583""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 1.7909874860419583 +""", +) + +entry( + index = 2269, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.00657,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(54269,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2270, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00311,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(51122.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2271, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00328,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(47301.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2272, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.00523,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(54938,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2273, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00247,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(51815.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2274, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00261,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(47929.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2275, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.00562,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(60363.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2276, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00266,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(61890.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2277, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.0028,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(57737.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2278, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00383,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(72851.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2279, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00422,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(75821.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2280, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(2.42643e-06,'m^3/(mol*s)'), n=3.45455, w0=(301000,'J/mol'), E0=(66099.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0894052816631499, var=0.4540069153212676, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 1.5754275883402007"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.5754275883402007""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.5754275883402007 +""", +) + +entry( + index = 2281, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.000235874,'m^3/(mol*s)'), n=2.8141, w0=(301000,'J/mol'), E0=(64868,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.02168514742016839, var=0.8718012339879482, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.9263123884910534"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.9263123884910534""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.9263123884910534 +""", +) + +entry( + index = 2282, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.00419,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(69374.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2283, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.00544,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(71149.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2284, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.0128703,'m^3/(mol*s)'), n=2.39318, w0=(289500,'J/mol'), E0=(82882.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.002664093951087658, var=2.451454630902122, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 3.1455318319371233"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 3.1455318319371233""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 3.1455318319371233 +""", +) + +entry( + index = 2285, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.0525499,'m^3/(mol*s)'), n=2.53049, w0=(289500,'J/mol'), E0=(70015.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0019948882696025193, var=2.5697104550211396, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 3.2186660510823772"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 3.2186660510823772""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 3.2186660510823772 +""", +) + +entry( + index = 2286, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.00281374,'m^3/(mol*s)'), n=2.48628, w0=(301000,'J/mol'), E0=(54774.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.015307207094745598, var=0.5260583343889028, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 1.4924922447038236"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.4924922447038236""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.4924922447038236 +""", +) + +entry( + index = 2287, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.0443789,'m^3/(mol*s)'), n=2.17463, w0=(301000,'J/mol'), E0=(65749.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.03890297097068746, var=1.8439057638582892, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 2.819985777274908"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.819985777274908""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.819985777274908 +""", +) + +entry( + index = 2288, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Sp-9R!H-2R!H", + kinetics = ArrheniusBM(A=(0.00374,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(60945.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Sp-9R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Sp-9R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2289, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_N-Sp-9R!H-2R!H", + kinetics = ArrheniusBM(A=(0.00402,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(66991.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_N-Sp-9R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_N-Sp-9R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_N-Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_N-Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2290, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.0212,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(105685,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_Ext-2R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2291, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-10R!H=8R!H", + kinetics = ArrheniusBM(A=(0.0363,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(76163,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-10R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-10R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2292, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H", + kinetics = ArrheniusBM(A=(0.101,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(67396.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2293, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00131,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(69611.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2294, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00144,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(72681.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2295, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(2.57755e-06,'m^3/(mol*s)'), n=3.33005, w0=(301000,'J/mol'), E0=(65012.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.101816191468944, var=0.5118950648648911, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 1.6901442216883493"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.6901442216883493""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.6901442216883493 +""", +) + +entry( + index = 2296, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.000542583,'m^3/(mol*s)'), n=2.59314, w0=(301000,'J/mol'), E0=(64967.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.023064267532934783, var=0.9293551596132491, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.9905765487526315"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.9905765487526315""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.9905765487526315 +""", +) + +entry( + index = 2297, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.00143,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(66242.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2298, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_N-Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.00186,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(66483.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_N-Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_N-Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2299, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.0526926,'m^3/(mol*s)'), n=2.11251, w0=(289500,'J/mol'), E0=(84847.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.010428178555315862, var=2.4760951077119824, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_Sp-11R!H=10R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 3.180774951794344"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 3.180774951794344""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 3.180774951794344 +""", +) + +entry( + index = 2300, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_N-Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.260477,'m^3/(mol*s)'), n=2.2279, w0=(289500,'J/mol'), E0=(72171.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.010028775706249033, var=2.588458989483401, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_N-Sp-11R!H=10R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_N-Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 3.2505537555207336"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 3.2505537555207336""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 3.2505537555207336 +""", +) + +entry( + index = 2301, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.0039504,'m^3/(mol*s)'), n=2.33062, w0=(301000,'J/mol'), E0=(53369.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0024236670273509887, var=0.3123908256656598, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 1.1265748166694423"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.1265748166694423""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.1265748166694423 +""", +) + +entry( + index = 2302, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.160352,'m^3/(mol*s)'), n=1.90144, w0=(301000,'J/mol'), E0=(66126.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0392533675963378, var=1.9134917634320863, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 2.871756927772008"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.871756927772008""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.871756927772008 +""", +) + +entry( + index = 2303, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Sp-10R!H-2R!H", + kinetics = ArrheniusBM(A=(0.00128,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(55337,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Sp-10R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Sp-10R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Sp-10R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Sp-10R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2304, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_N-Sp-10R!H-2R!H", + kinetics = ArrheniusBM(A=(0.00137,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(63452.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_N-Sp-10R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_N-Sp-10R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_N-Sp-10R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_N-Sp-10R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2305, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.00725,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(103181,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_Ext-2R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2306, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.0124,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(73213.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2307, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.0344,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(64273.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2308, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.00113961,'m^3/(mol*s)'), n=2.14143, w0=(301000,'J/mol'), E0=(78965.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0026774861084320647, var=0.06368600110044076, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 0.5126440100683565"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.5126440100683565""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.5126440100683565 +""", +) + +entry( + index = 2309, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(2.92e-05,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(67162.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-1R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-1R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2310, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(8.51278e-07,'m^3/(mol*s)'), n=3.14337, w0=(301000,'J/mol'), E0=(66092,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1078649481839445, var=0.22633749954357837, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 1.2247689847135694"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.2247689847135694""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.2247689847135694 +""", +) + +entry( + index = 2311, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(0.00453444,'m^3/(mol*s)'), n=2.01751, w0=(301000,'J/mol'), E0=(72043.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.5763309955544752e-05, var=0.1738713731496803, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R + Total Standard Deviation in ln(k): 0.8359717618043513"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 0.8359717618043513""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 0.8359717618043513 +""", +) + +entry( + index = 2312, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.0001,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(65502,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2313, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.00013,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(64713.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2314, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(1.47692e-06,'m^3/(mol*s)'), n=2.94472, w0=(301000,'J/mol'), E0=(63911.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07532683964761282, var=1.1630346531511258, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 2.3512516042654643"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.3512516042654643""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.3512516042654643 +""", +) + +entry( + index = 2315, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(0.0020455,'m^3/(mol*s)'), n=1.9141, w0=(301000,'J/mol'), E0=(68717.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.013966078974365557, var=4.25775107552457, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-1R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-1R!H-R + Total Standard Deviation in ln(k): 4.171724897081744"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 4.171724897081744""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 4.171724897081744 +""", +) + +entry( + index = 2316, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_4R!H-inRing", + kinetics = ArrheniusBM(A=(2.65e-05,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(66289.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2317, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(3.59e-05,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(57003.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2318, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(6.43313e-12,'m^3/(mol*s)'), n=4.5801, w0=(301000,'J/mol'), E0=(42701.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2224292514762155, var=0.5504001985663215, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 2.046159597687052"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.046159597687052""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.046159597687052 +""", +) + +entry( + index = 2319, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(3.46881e-06,'m^3/(mol*s)'), n=2.88638, w0=(301000,'J/mol'), E0=(56513.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0762725880246304, var=1.2140418604508456, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R + Total Standard Deviation in ln(k): 2.400528300829564"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 2.400528300829564""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 2.400528300829564 +""", +) + +entry( + index = 2320, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_4R!H-inRing", + kinetics = ArrheniusBM(A=(5.9107e-06,'m^3/(mol*s)'), n=2.79055, w0=(301000,'J/mol'), E0=(61572.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-2.3256966619205877e-05, var=0.23245986243892008, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_4R!H-inRing + Total Standard Deviation in ln(k): 0.9666232402218898"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_4R!H-inRing +Total Standard Deviation in ln(k): 0.9666232402218898""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_4R!H-inRing +Total Standard Deviation in ln(k): 0.9666232402218898 +""", +) + +entry( + index = 2321, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000700697,'m^3/(mol*s)'), n=2.25988, w0=(301000,'J/mol'), E0=(59742,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-2.264134573824875e-05, var=0.2399143580284709, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-4R!H-inRing + Total Standard Deviation in ln(k): 0.9819972441573146"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-4R!H-inRing +Total Standard Deviation in ln(k): 0.9819972441573146""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-4R!H-inRing +Total Standard Deviation in ln(k): 0.9819972441573146 +""", +) + +entry( + index = 2322, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(8.12e-05,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(50155.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2323, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00011,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(38313.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2324, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing_Sp-9R!H-2R!H", + kinetics = ArrheniusBM(A=(6.45e-05,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(52627.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing_Sp-9R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing_Sp-9R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing_Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing_Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2325, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing_N-Sp-9R!H-2R!H", + kinetics = ArrheniusBM(A=(6.94e-05,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(62217.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing_N-Sp-9R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing_N-Sp-9R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing_N-Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing_N-Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2326, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing_Sp-9R!H-2R!H", + kinetics = ArrheniusBM(A=(8.72e-05,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(40948.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing_Sp-9R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing_Sp-9R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing_Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing_Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2327, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing_N-Sp-9R!H-2R!H", + kinetics = ArrheniusBM(A=(9.37e-05,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(51297.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing_N-Sp-9R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing_N-Sp-9R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing_N-Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing_N-Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2328, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing", + kinetics = ArrheniusBM(A=(0.160877,'m^3/(mol*s)'), n=1.57489, w0=(301000,'J/mol'), E0=(75136.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.01451175880339817, var=0.24932090864488243, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing + Total Standard Deviation in ln(k): 1.0374669202013"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing +Total Standard Deviation in ln(k): 1.0374669202013""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing +Total Standard Deviation in ln(k): 1.0374669202013 +""", +) + +entry( + index = 2329, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing", + kinetics = ArrheniusBM(A=(6.43292e-05,'m^3/(mol*s)'), n=2.69871, w0=(301000,'J/mol'), E0=(61949.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0759862692293779, var=0.22732342280116927, Tref=1000.0, N=20, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing',), comment="""BM rule fitted to 20 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing + Total Standard Deviation in ln(k): 1.1467468089253494"""), + rank = 11, + shortDesc = """BM rule fitted to 20 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing +Total Standard Deviation in ln(k): 1.1467468089253494""", + longDesc = +""" +BM rule fitted to 20 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing +Total Standard Deviation in ln(k): 1.1467468089253494 +""", +) + +entry( + index = 2330, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.304848,'m^3/(mol*s)'), n=1.60214, w0=(301000,'J/mol'), E0=(56149,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.008172753549289617, var=0.14942777352365288, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 0.795482717953961"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.795482717953961""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.795482717953961 +""", +) + +entry( + index = 2331, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(1.17042,'m^3/(mol*s)'), n=1.4147, w0=(301000,'J/mol'), E0=(60545,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.01586210131945767, var=0.11269220043547201, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 0.7128372549578511"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.7128372549578511""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.7128372549578511 +""", +) + +entry( + index = 2332, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.071409,'m^3/(mol*s)'), n=1.84327, w0=(301000,'J/mol'), E0=(70487.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.010531835418297495, var=0.2873062753903345, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.1010191152386302"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.1010191152386302""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.1010191152386302 +""", +) + +entry( + index = 2333, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing", + kinetics = ArrheniusBM(A=(0.000219045,'m^3/(mol*s)'), n=2.37232, w0=(301000,'J/mol'), E0=(60439.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07683304191574705, var=0.8263884231856711, Tref=1000.0, N=16, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing',), comment="""BM rule fitted to 16 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing + Total Standard Deviation in ln(k): 2.015470482622191"""), + rank = 11, + shortDesc = """BM rule fitted to 16 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing +Total Standard Deviation in ln(k): 2.015470482622191""", + longDesc = +""" +BM rule fitted to 16 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing +Total Standard Deviation in ln(k): 2.015470482622191 +""", +) + +entry( + index = 2334, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing", + kinetics = ArrheniusBM(A=(1.55908e-10,'m^3/(mol*s)'), n=4.27459, w0=(301000,'J/mol'), E0=(37960.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.20561495187376602, var=0.5568508523345633, Tref=1000.0, N=40, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing',), comment="""BM rule fitted to 40 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing + Total Standard Deviation in ln(k): 2.0126027085932394"""), + rank = 11, + shortDesc = """BM rule fitted to 40 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing +Total Standard Deviation in ln(k): 2.0126027085932394""", + longDesc = +""" +BM rule fitted to 40 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing +Total Standard Deviation in ln(k): 2.0126027085932394 +""", +) + +entry( + index = 2335, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00054296,'m^3/(mol*s)'), n=2.32466, w0=(301000,'J/mol'), E0=(48057.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03394354413025408, var=0.14697391541542934, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_4R!H-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 0.8538441253757971"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 0.8538441253757971""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 0.8538441253757971 +""", +) + +entry( + index = 2336, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.980818,'m^3/(mol*s)'), n=1.46438, w0=(301000,'J/mol'), E0=(46733.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.014438337748780193, var=0.1806356290780072, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 0.8883147068547864"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 0.8883147068547864""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 0.8883147068547864 +""", +) + +entry( + index = 2337, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_Sp-10R!H-2R!H", + kinetics = ArrheniusBM(A=(0.0023131,'m^3/(mol*s)'), n=2.12388, w0=(301000,'J/mol'), E0=(52637.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.038672519466162146, var=0.1651805701820388, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_Sp-10R!H-2R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_Sp-10R!H-2R!H + Total Standard Deviation in ln(k): 0.9119398359969134"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_Sp-10R!H-2R!H +Total Standard Deviation in ln(k): 0.9119398359969134""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_Sp-10R!H-2R!H +Total Standard Deviation in ln(k): 0.9119398359969134 +""", +) + +entry( + index = 2338, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000166453,'m^3/(mol*s)'), n=2.52777, w0=(301000,'J/mol'), E0=(62530.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03485427980040928, var=0.38753462616769313, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H-2R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H-2R!H + Total Standard Deviation in ln(k): 1.3355668443066082"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H-2R!H +Total Standard Deviation in ln(k): 1.3355668443066082""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H-2R!H +Total Standard Deviation in ln(k): 1.3355668443066082 +""", +) + +entry( + index = 2339, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H-2R!H", + kinetics = ArrheniusBM(A=(3.50767,'m^3/(mol*s)'), n=1.28552, w0=(301000,'J/mol'), E0=(51241.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.022548561151500755, var=0.1862457391510545, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H-2R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H-2R!H + Total Standard Deviation in ln(k): 0.9218221076679454"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H-2R!H +Total Standard Deviation in ln(k): 0.9218221076679454""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H-2R!H +Total Standard Deviation in ln(k): 0.9218221076679454 +""", +) + +entry( + index = 2340, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H-2R!H", + kinetics = ArrheniusBM(A=(0.12827,'m^3/(mol*s)'), n=1.77744, w0=(301000,'J/mol'), E0=(61182,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.017602357955612758, var=0.4193340358159339, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H-2R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H-2R!H + Total Standard Deviation in ln(k): 1.3424134040198066"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H-2R!H +Total Standard Deviation in ln(k): 1.3424134040198066""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H-2R!H +Total Standard Deviation in ln(k): 1.3424134040198066 +""", +) + +entry( + index = 2341, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.00027,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(51174,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2342, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing_Ext-8R!H-R_Sp-10R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000128,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(48828.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing_Ext-8R!H-R_Sp-10R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing_Ext-8R!H-R_Sp-10R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing_Ext-8R!H-R_Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing_Ext-8R!H-R_Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2343, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing_Ext-8R!H-R_N-Sp-10R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000135,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(45822.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing_Ext-8R!H-R_N-Sp-10R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing_Ext-8R!H-R_N-Sp-10R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing_Ext-8R!H-R_N-Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing_Ext-8R!H-R_N-Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2344, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.000365,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(40012.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2345, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing_Ext-8R!H-R_Sp-10R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000173,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(37347.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing_Ext-8R!H-R_Sp-10R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing_Ext-8R!H-R_Sp-10R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing_Ext-8R!H-R_Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing_Ext-8R!H-R_Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2346, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing_Ext-8R!H-R_N-Sp-10R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000182,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(33968.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing_Ext-8R!H-R_N-Sp-10R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing_Ext-8R!H-R_N-Sp-10R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing_Ext-8R!H-R_N-Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing_Ext-8R!H-R_N-Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2347, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.000201209,'m^3/(mol*s)'), n=2.51287, w0=(301000,'J/mol'), E0=(68624.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0021895794629345966, var=0.0445676507243099, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 0.42872211617052064"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.42872211617052064""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.42872211617052064 +""", +) + +entry( + index = 2348, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_Sp-10R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000116,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(60589.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_Sp-10R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_Sp-10R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2349, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_N-Sp-10R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000128,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(63739.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_N-Sp-10R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_N-Sp-10R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_N-Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_N-Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2350, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(4.81602e-07,'m^3/(mol*s)'), n=3.32767, w0=(301000,'J/mol'), E0=(56858.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10557953561533368, var=0.20852817204853416, Tref=1000.0, N=15, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H',), comment="""BM rule fitted to 15 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 1.1807351824142425"""), + rank = 11, + shortDesc = """BM rule fitted to 15 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 1.1807351824142425""", + longDesc = +""" +BM rule fitted to 15 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 1.1807351824142425 +""", +) + +entry( + index = 2351, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(2.59158e-21,'m^3/(mol*s)'), n=7.55066, w0=(289500,'J/mol'), E0=(-5115.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5698429647837945, var=4.606246020052265, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 5.734362097106192"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 5.734362097106192""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 5.734362097106192 +""", +) + +entry( + index = 2352, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H", + kinetics = ArrheniusBM(A=(0.000332352,'m^3/(mol*s)'), n=2.47849, w0=(301000,'J/mol'), E0=(57937.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.036423573297564765, var=0.8715056174353069, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H + Total Standard Deviation in ln(k): 1.9630262261702445"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H +Total Standard Deviation in ln(k): 1.9630262261702445""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H +Total Standard Deviation in ln(k): 1.9630262261702445 +""", +) + +entry( + index = 2353, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H", + kinetics = ArrheniusBM(A=(5.966e-23,'m^3/(mol*s)'), n=7.94079, w0=(301000,'J/mol'), E0=(-3003.51,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.000632131231047721, var=0.7934109896690588, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H + Total Standard Deviation in ln(k): 1.7872783874117393"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H +Total Standard Deviation in ln(k): 1.7872783874117393""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H +Total Standard Deviation in ln(k): 1.7872783874117393 +""", +) + +entry( + index = 2354, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(1.29776,'m^3/(mol*s)'), n=1.71966, w0=(289500,'J/mol'), E0=(77460.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0037380532465806997, var=7.369179914150164, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 5.451492738516685"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 5.451492738516685""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 5.451492738516685 +""", +) + +entry( + index = 2355, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000314,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(49485,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2356, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000347,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(53251.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2357, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(5.49451e-09,'m^3/(mol*s)'), n=3.79406, w0=(301000,'J/mol'), E0=(48159.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.22817765669809845, var=0.7651004679707362, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 2.326852900555706"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.326852900555706""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.326852900555706 +""", +) + +entry( + index = 2358, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000151,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(63479.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2359, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000204,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(54634.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2360, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000109246,'m^3/(mol*s)'), n=2.40788, w0=(301000,'J/mol'), E0=(60812.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.004392540459445711, var=0.07611407195986186, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 0.5641184612714057"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 0.5641184612714057""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 0.5641184612714057 +""", +) + +entry( + index = 2361, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0209244,'m^3/(mol*s)'), n=1.81557, w0=(301000,'J/mol'), E0=(59067.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.00458707182355794, var=0.12241573514414379, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 0.7129412149303743"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 0.7129412149303743""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 0.7129412149303743 +""", +) + +entry( + index = 2362, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(6.34712e-10,'m^3/(mol*s)'), n=4.1253, w0=(301000,'J/mol'), E0=(38405.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.18273847522106204, var=0.4618849181630931, Tref=1000.0, N=30, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H',), comment="""BM rule fitted to 30 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 1.8216022719709062"""), + rank = 11, + shortDesc = """BM rule fitted to 30 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 1.8216022719709062""", + longDesc = +""" +BM rule fitted to 30 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 1.8216022719709062 +""", +) + +entry( + index = 2363, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(3.19669e-17,'m^3/(mol*s)'), n=6.37094, w0=(289500,'J/mol'), E0=(7391.11,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.375322831397673, var=3.145454353483267, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 4.498505815791907"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 4.498505815791907""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 4.498505815791907 +""", +) + +entry( + index = 2364, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H", + kinetics = ArrheniusBM(A=(1.64251e-20,'m^3/(mol*s)'), n=7.09141, w0=(301000,'J/mol'), E0=(-1201.29,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.44577585884096826, var=1.1042378083111453, Tref=1000.0, N=18, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H',), comment="""BM rule fitted to 18 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H + Total Standard Deviation in ln(k): 3.2266699983184286"""), + rank = 11, + shortDesc = """BM rule fitted to 18 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H +Total Standard Deviation in ln(k): 3.2266699983184286""", + longDesc = +""" +BM rule fitted to 18 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H +Total Standard Deviation in ln(k): 3.2266699983184286 +""", +) + +entry( + index = 2365, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H", + kinetics = ArrheniusBM(A=(7.46359e-19,'m^3/(mol*s)'), n=6.75944, w0=(301000,'J/mol'), E0=(7277.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.41213611723611904, var=0.3831868632698561, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H + Total Standard Deviation in ln(k): 2.276490775966628"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H +Total Standard Deviation in ln(k): 2.276490775966628""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H +Total Standard Deviation in ln(k): 2.276490775966628 +""", +) + +entry( + index = 2366, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.00311401,'m^3/(mol*s)'), n=2.44366, w0=(289500,'J/mol'), E0=(63109.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6777922622859291, var=4.183761142158944, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 5.8035297580923455"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 5.8035297580923455""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 5.8035297580923455 +""", +) + +entry( + index = 2367, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00707,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(65866.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2368, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00956,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(55751.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2369, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000287172,'m^3/(mol*s)'), n=2.48266, w0=(301000,'J/mol'), E0=(47867,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.005844596946364486, var=5.040670304322886, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-9R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 4.515603277683893"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 4.515603277683893""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 4.515603277683893 +""", +) + +entry( + index = 2370, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(3.2594e-06,'m^3/(mol*s)'), n=3.06738, w0=(301000,'J/mol'), E0=(46908.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.01404548482693419, var=4.487546212739536, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 4.282086717998469"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 4.282086717998469""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 4.282086717998469 +""", +) + +entry( + index = 2371, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-9R!H=8R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000711,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(68138.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-9R!H=8R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-9R!H=8R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-9R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-9R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2372, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-9R!H=8R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000961,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(58474.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-9R!H=8R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-9R!H=8R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-9R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-9R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2373, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00197,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(68843.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2374, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00266,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(59299.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2375, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-10R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00157,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-10R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-10R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-10R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-10R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2376, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-10R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00212,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(53927.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-10R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-10R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-10R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-10R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2377, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000515,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(50947,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing_Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2378, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000603,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(51515.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2379, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000696,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(42917.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2380, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000814,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(43433.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2381, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(6.81983e-05,'m^3/(mol*s)'), n=2.7346, w0=(301000,'J/mol'), E0=(83227.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.002602260042487534, var=0.04301573408643129, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 0.4223251046155898"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.4223251046155898""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.4223251046155898 +""", +) + +entry( + index = 2382, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(0.000226,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(78143.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-1R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-1R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2383, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(6.30829e-07,'m^3/(mol*s)'), n=3.42526, w0=(301000,'J/mol'), E0=(72401.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08559886352707549, var=0.13639824080056362, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 0.9554639356699608"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.9554639356699608""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.9554639356699608 +""", +) + +entry( + index = 2384, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(0.000238805,'m^3/(mol*s)'), n=2.62636, w0=(301000,'J/mol'), E0=(76212.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.897559543577898e-05, var=0.17572801886267536, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1R!H-R + Total Standard Deviation in ln(k): 0.840431136589027"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 0.840431136589027""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 0.840431136589027 +""", +) + +entry( + index = 2385, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000776,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(74632.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2386, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00101,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(75217.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2387, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(4.28346e-06,'m^3/(mol*s)'), n=3.01227, w0=(301000,'J/mol'), E0=(74617,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.01783340647882013, var=0.08031393131049432, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-2R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-2R!H-R + Total Standard Deviation in ln(k): 0.6129437143013433"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.6129437143013433""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.6129437143013433 +""", +) + +entry( + index = 2388, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(0.000509398,'m^3/(mol*s)'), n=2.2888, w0=(301000,'J/mol'), E0=(77289.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0006990319391224431, var=0.29355901084932634, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-1R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-1R!H-R + Total Standard Deviation in ln(k): 1.0879436032567258"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 1.0879436032567258""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 1.0879436032567258 +""", +) + +entry( + index = 2389, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000166,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(72493.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2390, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000141,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(74251.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2391, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-12R!H-R", + kinetics = ArrheniusBM(A=(0.00108612,'m^3/(mol*s)'), n=2.51457, w0=(301000,'J/mol'), E0=(83117,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0036880759212789523, var=0.08806503243800137, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-12R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-12R!H-R + Total Standard Deviation in ln(k): 0.6041867550781378"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-12R!H-R +Total Standard Deviation in ln(k): 0.6041867550781378""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-12R!H-R +Total Standard Deviation in ln(k): 0.6041867550781378 +""", +) + +entry( + index = 2392, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(1.81653e-05,'m^3/(mol*s)'), n=2.90216, w0=(301000,'J/mol'), E0=(66308,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.01972869059523917, var=0.08019227131314957, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R + Total Standard Deviation in ln(k): 0.6172752636782768"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 0.6172752636782768""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 0.6172752636782768 +""", +) + +entry( + index = 2393, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(1.03274e-05,'m^3/(mol*s)'), n=2.96091, w0=(301000,'J/mol'), E0=(63694.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=4.911665698868514e-05, var=0.01691290678078586, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 0.2608384677388489"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 0.2608384677388489""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 0.2608384677388489 +""", +) + +entry( + index = 2394, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(4.09005e-06,'m^3/(mol*s)'), n=3.09595, w0=(301000,'J/mol'), E0=(66808,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=5.028090250691814e-05, var=0.017254371320761307, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 0.2634601055484185"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 0.2634601055484185""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 0.2634601055484185 +""", +) + +entry( + index = 2395, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-1R!H-R_Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(7.44447e-05,'m^3/(mol*s)'), n=2.68123, w0=(301000,'J/mol'), E0=(69604.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0008300748862289275, var=0.2625550301073109, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-1R!H-R_Sp-11R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-1R!H-R_Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 1.0293143535561238"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-1R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 1.0293143535561238""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-1R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 1.0293143535561238 +""", +) + +entry( + index = 2396, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-1R!H-R_N-Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(2.1332e-06,'m^3/(mol*s)'), n=3.17038, w0=(301000,'J/mol'), E0=(65410.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0008664040281418764, var=0.26964910302741063, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-1R!H-R_N-Sp-11R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-1R!H-R_N-Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 1.0431906770595223"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-1R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 1.0431906770595223""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-1R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 1.0431906770595223 +""", +) + +entry( + index = 2397, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_N-1R!H-inRing_Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(1.22709e-05,'m^3/(mol*s)'), n=2.90596, w0=(301000,'J/mol'), E0=(66721.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0009720578719387955, var=0.2450123881175622, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_N-1R!H-inRing_Sp-11R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_N-1R!H-inRing_Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 0.9947606805717791"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_N-1R!H-inRing_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 0.9947606805717791""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_N-1R!H-inRing_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 0.9947606805717791 +""", +) + +entry( + index = 2398, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_N-1R!H-inRing_N-Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(5.5023e-07,'m^3/(mol*s)'), n=3.34229, w0=(301000,'J/mol'), E0=(63900.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0009585283465689542, var=0.2367030736082632, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_N-1R!H-inRing_N-Sp-11R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_N-1R!H-inRing_N-Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 0.9777548811206093"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_N-1R!H-inRing_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 0.9777548811206093""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_N-1R!H-inRing_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 0.9777548811206093 +""", +) + +entry( + index = 2399, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-8R!H-2R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(2.00596e-05,'m^3/(mol*s)'), n=2.85511, w0=(301000,'J/mol'), E0=(59301.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0003671083337767846, var=0.3377168821703819, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-8R!H-2R!H_Ext-2R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-8R!H-2R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 1.1659423666605035"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-8R!H-2R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.1659423666605035""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-8R!H-2R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.1659423666605035 +""", +) + +entry( + index = 2400, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-8R!H-2R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000403,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(59601.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-8R!H-2R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-8R!H-2R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-8R!H-2R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-8R!H-2R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2401, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-8R!H-2R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000342,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(61719.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-8R!H-2R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-8R!H-2R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-8R!H-2R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-8R!H-2R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2402, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-Sp-8R!H-2R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(8.98094e-10,'m^3/(mol*s)'), n=4.29434, w0=(280000,'J/mol'), E0=(50925.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-2.066587086257886, var=9.553958330919805, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-Sp-8R!H-2R!H_4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-Sp-8R!H-2R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.388961351296889"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-Sp-8R!H-2R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.388961351296889""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-Sp-8R!H-2R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.388961351296889 +""", +) + +entry( + index = 2403, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-Sp-8R!H-2R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000367,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(71018.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-Sp-8R!H-2R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-Sp-8R!H-2R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-Sp-8R!H-2R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-Sp-8R!H-2R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2404, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(6.70134e-09,'m^3/(mol*s)'), n=4.02803, w0=(287000,'J/mol'), E0=(47218.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.693225278465081, var=6.676641834654461, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H_Ext-2R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 9.434409647833027"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 9.434409647833027""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 9.434409647833027 +""", +) + +entry( + index = 2405, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000453,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(64142,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2406, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000384,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(66041.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2407, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing", + kinetics = ArrheniusBM(A=(0.00482999,'m^3/(mol*s)'), n=2.25333, w0=(301000,'J/mol'), E0=(79152.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.013897718608644125, var=0.31500666525292265, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing + Total Standard Deviation in ln(k): 1.1600855664168215"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing +Total Standard Deviation in ln(k): 1.1600855664168215""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing +Total Standard Deviation in ln(k): 1.1600855664168215 +""", +) + +entry( + index = 2408, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing", + kinetics = ArrheniusBM(A=(1.3185e-05,'m^3/(mol*s)'), n=3.13787, w0=(301000,'J/mol'), E0=(67330.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06120043426424133, var=0.21019580489372927, Tref=1000.0, N=20, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing',), comment="""BM rule fitted to 20 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing + Total Standard Deviation in ln(k): 1.072883152510556"""), + rank = 11, + shortDesc = """BM rule fitted to 20 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing +Total Standard Deviation in ln(k): 1.072883152510556""", + longDesc = +""" +BM rule fitted to 20 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing +Total Standard Deviation in ln(k): 1.072883152510556 +""", +) + +entry( + index = 2409, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.00341696,'m^3/(mol*s)'), n=2.40086, w0=(301000,'J/mol'), E0=(60905.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.006772401855525243, var=0.10399598694965018, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 0.6635112479816861"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.6635112479816861""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.6635112479816861 +""", +) + +entry( + index = 2410, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.0150403,'m^3/(mol*s)'), n=2.19672, w0=(301000,'J/mol'), E0=(64321.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.01200879496251309, var=0.10172247411294394, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R + Total Standard Deviation in ln(k): 0.6695622731580165"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.6695622731580165""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.6695622731580165 +""", +) + +entry( + index = 2411, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.00157019,'m^3/(mol*s)'), n=2.55654, w0=(301000,'J/mol'), E0=(73860.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0065656404929424475, var=0.4402472900789817, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R + Total Standard Deviation in ln(k): 1.3466610292674175"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.3466610292674175""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.3466610292674175 +""", +) + +entry( + index = 2412, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing", + kinetics = ArrheniusBM(A=(0.000154577,'m^3/(mol*s)'), n=2.61518, w0=(301000,'J/mol'), E0=(70051.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.02411775938915274, var=0.2927499012223893, Tref=1000.0, N=16, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing',), comment="""BM rule fitted to 16 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing + Total Standard Deviation in ln(k): 1.1452867152913615"""), + rank = 11, + shortDesc = """BM rule fitted to 16 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing +Total Standard Deviation in ln(k): 1.1452867152913615""", + longDesc = +""" +BM rule fitted to 16 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing +Total Standard Deviation in ln(k): 1.1452867152913615 +""", +) + +entry( + index = 2413, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing", + kinetics = ArrheniusBM(A=(2.33135e-06,'m^3/(mol*s)'), n=3.28294, w0=(301000,'J/mol'), E0=(58881.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.05703055504571079, var=0.18682859331594837, Tref=1000.0, N=40, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing',), comment="""BM rule fitted to 40 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing + Total Standard Deviation in ln(k): 1.009812992167555"""), + rank = 11, + shortDesc = """BM rule fitted to 40 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing +Total Standard Deviation in ln(k): 1.009812992167555""", + longDesc = +""" +BM rule fitted to 40 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing +Total Standard Deviation in ln(k): 1.009812992167555 +""", +) + +entry( + index = 2414, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.000105607,'m^3/(mol*s)'), n=2.76978, w0=(301000,'J/mol'), E0=(53412.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.015823919865333713, var=0.12290609080269574, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 0.7425779138547031"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.7425779138547031""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.7425779138547031 +""", +) + +entry( + index = 2415, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000949,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(53283.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2416, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000804,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(55329.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2417, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.000405991,'m^3/(mol*s)'), n=2.58246, w0=(301000,'J/mol'), E0=(56720.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.020439171478677708, var=0.12320854914250029, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R + Total Standard Deviation in ln(k): 0.7550382724912322"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.7550382724912322""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.7550382724912322 +""", +) + +entry( + index = 2418, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000754,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(55696.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2419, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000639,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(57733.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2420, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(4.61388e-05,'m^3/(mol*s)'), n=2.92675, w0=(301000,'J/mol'), E0=(65812.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.01627133290808545, var=0.2907488195949415, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R + Total Standard Deviation in ln(k): 1.1218585412421611"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.1218585412421611""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.1218585412421611 +""", +) + +entry( + index = 2421, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000811,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(64536.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2422, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000687,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(66503.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2423, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00169,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(57971.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2424, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00143,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(59966.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2425, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000799,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(55670.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2426, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000677,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(57744.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2427, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000843,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(52798.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2428, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000715,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(54867.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2429, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R", + kinetics = ArrheniusBM(A=(8.83861e-14,'m^3/(mol*s)'), n=5.46689, w0=(301000,'J/mol'), E0=(45867.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.25876495669163263, var=1.0386071589453285, Tref=1000.0, N=32, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R',), comment="""BM rule fitted to 32 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R + Total Standard Deviation in ln(k): 2.6932303783395497"""), + rank = 11, + shortDesc = """BM rule fitted to 32 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R +Total Standard Deviation in ln(k): 2.6932303783395497""", + longDesc = +""" +BM rule fitted to 32 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R +Total Standard Deviation in ln(k): 2.6932303783395497 +""", +) + +entry( + index = 2430, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Sp-7R!H-1R!H", + kinetics = ArrheniusBM(A=(8.86252e-05,'m^3/(mol*s)'), n=2.89652, w0=(301000,'J/mol'), E0=(64661.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.008815160268066898, var=0.365554457214717, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Sp-7R!H-1R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Sp-7R!H-1R!H + Total Standard Deviation in ln(k): 1.2342335169602692"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Sp-7R!H-1R!H +Total Standard Deviation in ln(k): 1.2342335169602692""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Sp-7R!H-1R!H +Total Standard Deviation in ln(k): 1.2342335169602692 +""", +) + +entry( + index = 2431, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_N-Sp-7R!H-1R!H", + kinetics = ArrheniusBM(A=(0.00717,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_N-Sp-7R!H-1R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_N-Sp-7R!H-1R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_N-Sp-7R!H-1R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_N-Sp-7R!H-1R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2432, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing", + kinetics = ArrheniusBM(A=(1.04333e-05,'m^3/(mol*s)'), n=2.98316, w0=(301000,'J/mol'), E0=(66028,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.02500459676097062, var=0.2737800864962603, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing + Total Standard Deviation in ln(k): 1.1117831806267817"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing +Total Standard Deviation in ln(k): 1.1117831806267817""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing +Total Standard Deviation in ln(k): 1.1117831806267817 +""", +) + +entry( + index = 2433, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing", + kinetics = ArrheniusBM(A=(2.50861e-06,'m^3/(mol*s)'), n=3.30081, w0=(301000,'J/mol'), E0=(57744.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04530573793305426, var=0.14299057349987304, Tref=1000.0, N=30, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing',), comment="""BM rule fitted to 30 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing + Total Standard Deviation in ln(k): 0.8719059269525707"""), + rank = 11, + shortDesc = """BM rule fitted to 30 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing +Total Standard Deviation in ln(k): 0.8719059269525707""", + longDesc = +""" +BM rule fitted to 30 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing +Total Standard Deviation in ln(k): 0.8719059269525707 +""", +) + +entry( + index = 2434, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(3.19195e-06,'m^3/(mol*s)'), n=3.23106, w0=(301000,'J/mol'), E0=(50781,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.014183467734858787, var=0.17350323040666624, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 0.8706835688443417"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.8706835688443417""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.8706835688443417 +""", +) + +entry( + index = 2435, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(6.07039e-11,'m^3/(mol*s)'), n=4.59952, w0=(301000,'J/mol'), E0=(45465.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.14922110773560787, var=0.668418771777005, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R + Total Standard Deviation in ln(k): 2.0139362935223146"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 2.0139362935223146""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 2.0139362935223146 +""", +) + +entry( + index = 2436, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Sp-8R!H-2R!H", + kinetics = ArrheniusBM(A=(3.92715e-05,'m^3/(mol*s)'), n=2.88695, w0=(301000,'J/mol'), E0=(58730.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.000741754727591259, var=0.2966038303932639, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Sp-8R!H-2R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Sp-8R!H-2R!H + Total Standard Deviation in ln(k): 1.0936694298609673"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 1.0936694298609673""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 1.0936694298609673 +""", +) + +entry( + index = 2437, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_N-Sp-8R!H-2R!H", + kinetics = ArrheniusBM(A=(6.37602e-05,'m^3/(mol*s)'), n=2.83456, w0=(301000,'J/mol'), E0=(66067.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0007110511643753165, var=0.2854345436175208, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_N-Sp-8R!H-2R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_N-Sp-8R!H-2R!H + Total Standard Deviation in ln(k): 1.0728378166336334"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_N-Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 1.0728378166336334""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_N-Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 1.0728378166336334 +""", +) + +entry( + index = 2438, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-7R!H-1R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(2.21683e-18,'m^3/(mol*s)'), n=6.83853, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=4.579292587671232, var=0.05140045785175827, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-7R!H-1R!H_Ext-2R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-7R!H-1R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 11.960267173051061"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-7R!H-1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.960267173051061""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-7R!H-1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.960267173051061 +""", +) + +entry( + index = 2439, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-7R!H-1R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00538,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-7R!H-1R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-7R!H-1R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-7R!H-1R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-7R!H-1R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2440, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-7R!H-1R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00456,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-7R!H-1R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-7R!H-1R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-7R!H-1R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-7R!H-1R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2441, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(8.92284e-06,'m^3/(mol*s)'), n=3.11268, w0=(301000,'J/mol'), E0=(54706.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0006476792601816366, var=0.31581410372691127, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-8R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 1.1282351248986566"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 1.1282351248986566""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 1.1282351248986566 +""", +) + +entry( + index = 2442, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(2.32344e-06,'m^3/(mol*s)'), n=3.30445, w0=(301000,'J/mol'), E0=(56401,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0007958863376082344, var=0.29705914854494875, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 1.094643136016419"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 1.094643136016419""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 1.094643136016419 +""", +) + +entry( + index = 2443, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-9R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00982,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-9R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-9R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-9R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-9R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2444, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-9R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00832,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-9R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-9R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-9R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-9R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2445, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00322,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(57500.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing_Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2446, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00377,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(57493.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2447, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00273,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(59002.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2448, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00319,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(59012.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2449, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000909206,'m^3/(mol*s)'), n=2.7317, w0=(289500,'J/mol'), E0=(85862.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.006442304869135587, var=0.010952203335302547, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 0.22598778483276716"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 0.22598778483276716""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 0.22598778483276716 +""", +) + +entry( + index = 2450, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000253318,'m^3/(mol*s)'), n=3.00507, w0=(289500,'J/mol'), E0=(75728.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0031542954696162336, var=0.012494336482757972, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 0.23201077927710256"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 0.23201077927710256""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 0.23201077927710256 +""", +) + +entry( + index = 2451, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.022,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(80794.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2452, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0203,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(80264.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2453, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.0030686,'m^3/(mol*s)'), n=2.89562, w0=(289500,'J/mol'), E0=(74452.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0018552801822010584, var=0.014117406427135026, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 0.24285749931872497"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 0.24285749931872497""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 0.24285749931872497 +""", +) + +entry( + index = 2454, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000721331,'m^3/(mol*s)'), n=3.19016, w0=(289500,'J/mol'), E0=(64072.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0019102116497591447, var=0.01600409479830029, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 0.2584131315397725"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 0.2584131315397725""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 0.2584131315397725 +""", +) + +entry( + index = 2455, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.292,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(71476.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2456, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.27,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(71029.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2457, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.103,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(84339.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2458, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.287,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(77052.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2459, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.0267348,'m^3/(mol*s)'), n=2.51083, w0=(289500,'J/mol'), E0=(80794.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=4.813938889366734e-05, var=0.0022889317840800454, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 0.09603305640040198"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 0.09603305640040198""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 0.09603305640040198 +""", +) + +entry( + index = 2460, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00330109,'m^3/(mol*s)'), n=2.88545, w0=(289500,'J/mol'), E0=(69354.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=3.454275931962181e-05, var=0.003647635687717215, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 0.12116408799576266"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 0.12116408799576266""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 0.12116408799576266 +""", +) + +entry( + index = 2461, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(0.000394867,'m^3/(mol*s)'), n=2.58868, w0=(301000,'J/mol'), E0=(82953.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.013567090439108488, var=0.1735788249146179, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R + Total Standard Deviation in ln(k): 0.8693167752438444"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 0.8693167752438444""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 0.8693167752438444 +""", +) + +entry( + index = 2462, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(1.37416e-05,'m^3/(mol*s)'), n=3.06868, w0=(301000,'J/mol'), E0=(79486.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.006664629279667926, var=0.05090684102287432, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 0.4690645418266824"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.4690645418266824""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.4690645418266824 +""", +) + +entry( + index = 2463, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_1R!H-inRing", + kinetics = ArrheniusBM(A=(0.000166761,'m^3/(mol*s)'), n=2.81143, w0=(259000,'J/mol'), E0=(52752.7,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_1R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_1R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_1R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_1R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2464, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_N-1R!H-inRing", + kinetics = ArrheniusBM(A=(0.000509023,'m^3/(mol*s)'), n=2.48986, w0=(301000,'J/mol'), E0=(79835.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.008277675492534362, var=0.060725861049229134, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_N-1R!H-inRing',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_N-1R!H-inRing + Total Standard Deviation in ln(k): 0.5148173820259756"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_N-1R!H-inRing +Total Standard Deviation in ln(k): 0.5148173820259756""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_N-1R!H-inRing +Total Standard Deviation in ln(k): 0.5148173820259756 +""", +) + +entry( + index = 2465, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(2.03147e-06,'m^3/(mol*s)'), n=3.4178, w0=(301000,'J/mol'), E0=(71536.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.05856520231094997, var=0.04543770667021901, Tref=1000.0, N=18, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 18 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 0.5744805289055738"""), + rank = 11, + shortDesc = """BM rule fitted to 18 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.5744805289055738""", + longDesc = +""" +BM rule fitted to 18 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.5744805289055738 +""", +) + +entry( + index = 2466, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(6.73215e-05,'m^3/(mol*s)'), n=2.92061, w0=(301000,'J/mol'), E0=(73437.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.011167442004945637, var=0.04296377174320068, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R + Total Standard Deviation in ln(k): 0.44359445442563117"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 0.44359445442563117""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 0.44359445442563117 +""", +) + +entry( + index = 2467, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.000114759,'m^3/(mol*s)'), n=2.92118, w0=(301000,'J/mol'), E0=(76084.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.00015632659717331094, var=0.07544162109138457, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-5R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.5510261098414437"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.5510261098414437""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.5510261098414437 +""", +) + +entry( + index = 2468, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(8.69374e-06,'m^3/(mol*s)'), n=3.14704, w0=(301000,'J/mol'), E0=(68876.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.017572800865675087, var=0.03769021782046401, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.4333514051569526"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.4333514051569526""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.4333514051569526 +""", +) + +entry( + index = 2469, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-7R!H=2R!H_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0038,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(77993.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-7R!H=2R!H_Sp-5R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-7R!H=2R!H_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-7R!H=2R!H_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-7R!H=2R!H_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2470, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-7R!H=2R!H_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(4.95244e-05,'m^3/(mol*s)'), n=2.95875, w0=(301000,'J/mol'), E0=(76810.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0001977013304656093, var=0.06903580548765843, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-7R!H=2R!H_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-7R!H=2R!H_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.527234175710356"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-7R!H=2R!H_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.527234175710356""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-7R!H=2R!H_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.527234175710356 +""", +) + +entry( + index = 2471, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00271632,'m^3/(mol*s)'), n=2.49424, w0=(301000,'J/mol'), E0=(71361.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=2.087714337757985e-05, var=0.2178518559034714, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_Sp-5R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.9357545923838998"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.9357545923838998""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.9357545923838998 +""", +) + +entry( + index = 2472, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(4.64222e-08,'m^3/(mol*s)'), n=3.96374, w0=(292600,'J/mol'), E0=(52438.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.6875432990960595, var=7.779021309549453, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 9.831444479823816"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 9.831444479823816""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 9.831444479823816 +""", +) + +entry( + index = 2473, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-7R!H=2R!H_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00427,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(79068.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-7R!H=2R!H_Sp-5R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-7R!H=2R!H_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-7R!H=2R!H_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-7R!H=2R!H_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2474, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-7R!H=2R!H_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(9.8638e-06,'m^3/(mol*s)'), n=3.09015, w0=(301000,'J/mol'), E0=(70485.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.00024070368225494697, var=0.06078181968954043, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-7R!H=2R!H_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-7R!H=2R!H_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.49485155147317617"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-7R!H=2R!H_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.49485155147317617""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-7R!H=2R!H_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.49485155147317617 +""", +) + +entry( + index = 2475, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(1.96896e-05,'m^3/(mol*s)'), n=3.05324, w0=(301000,'J/mol'), E0=(63674,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.006614541901797541, var=0.10729424174040966, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_Ext-2R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 0.6732864595272494"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.6732864595272494""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.6732864595272494 +""", +) + +entry( + index = 2476, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00397,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(73395.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_Sp-5R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2477, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(6.10905e-08,'m^3/(mol*s)'), n=3.88813, w0=(280000,'J/mol'), E0=(51080.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.11512945414954391, var=0.8395023701698422, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 2.1260957086361234"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 2.1260957086361234""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 2.1260957086361234 +""", +) + +entry( + index = 2478, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing", + kinetics = ArrheniusBM(A=(0.000367183,'m^3/(mol*s)'), n=2.70997, w0=(301000,'J/mol'), E0=(75666.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.02983225207513619, var=0.3470764723527741, Tref=1000.0, N=24, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing',), comment="""BM rule fitted to 24 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing + Total Standard Deviation in ln(k): 1.2560089229594558"""), + rank = 11, + shortDesc = """BM rule fitted to 24 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing +Total Standard Deviation in ln(k): 1.2560089229594558""", + longDesc = +""" +BM rule fitted to 24 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing +Total Standard Deviation in ln(k): 1.2560089229594558 +""", +) + +entry( + index = 2479, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing", + kinetics = ArrheniusBM(A=(6.26994e-06,'m^3/(mol*s)'), n=3.36435, w0=(301000,'J/mol'), E0=(64754,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.05671235786338312, var=0.22956226221136355, Tref=1000.0, N=60, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing',), comment="""BM rule fitted to 60 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing + Total Standard Deviation in ln(k): 1.1030151863946378"""), + rank = 11, + shortDesc = """BM rule fitted to 60 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing +Total Standard Deviation in ln(k): 1.1030151863946378""", + longDesc = +""" +BM rule fitted to 60 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing +Total Standard Deviation in ln(k): 1.1030151863946378 +""", +) + +entry( + index = 2480, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00549789,'m^3/(mol*s)'), n=2.53135, w0=(301000,'J/mol'), E0=(64260.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.006531396935221282, var=0.32962574231036346, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 1.167389942520209"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.167389942520209""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.167389942520209 +""", +) + +entry( + index = 2481, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.000125376,'m^3/(mol*s)'), n=2.91075, w0=(301000,'J/mol'), E0=(57961.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.015275478053347977, var=0.20647174074522193, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.9493154097124049"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.9493154097124049""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.9493154097124049 +""", +) + +entry( + index = 2482, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-8R!H-2R!H", + kinetics = ArrheniusBM(A=(0.0192856,'m^3/(mol*s)'), n=2.35529, w0=(301000,'J/mol'), E0=(67819.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.013277636921552436, var=0.4758736652641155, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-8R!H-2R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-8R!H-2R!H + Total Standard Deviation in ln(k): 1.4162992631437883"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 1.4162992631437883""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 1.4162992631437883 +""", +) + +entry( + index = 2483, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H-2R!H", + kinetics = ArrheniusBM(A=(0.00178979,'m^3/(mol*s)'), n=2.72905, w0=(301000,'J/mol'), E0=(76115.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.01016125029610003, var=0.6613942553619285, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H-2R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H-2R!H + Total Standard Deviation in ln(k): 1.6559046209672292"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 1.6559046209672292""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 1.6559046209672292 +""", +) + +entry( + index = 2484, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H", + kinetics = ArrheniusBM(A=(0.00031191,'m^3/(mol*s)'), n=2.77696, w0=(301000,'J/mol'), E0=(61158.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.02396600239222935, var=0.28656805617908576, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H + Total Standard Deviation in ln(k): 1.1333919049742796"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 1.1333919049742796""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 1.1333919049742796 +""", +) + +entry( + index = 2485, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H", + kinetics = ArrheniusBM(A=(2.98341e-05,'m^3/(mol*s)'), n=3.14289, w0=(301000,'J/mol'), E0=(69068.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0222285250215126, var=0.39653978703301085, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H + Total Standard Deviation in ln(k): 1.3182604137499632"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 1.3182604137499632""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 1.3182604137499632 +""", +) + +entry( + index = 2486, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.0403573,'m^3/(mol*s)'), n=2.27095, w0=(301000,'J/mol'), E0=(69844.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.004173221259853447, var=0.2496768670354696, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-6R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-6R!H-R + Total Standard Deviation in ln(k): 1.0122050138011793"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 1.0122050138011793""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 1.0122050138011793 +""", +) + +entry( + index = 2487, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.00103802,'m^3/(mol*s)'), n=2.63542, w0=(301000,'J/mol'), E0=(63714.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.009317781610023243, var=0.14381080359460713, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R + Total Standard Deviation in ln(k): 0.7836550645940707"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 0.7836550645940707""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 0.7836550645940707 +""", +) + +entry( + index = 2488, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00305,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(66986.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2489, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00282,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(67870.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2490, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing", + kinetics = ArrheniusBM(A=(2.7619e-05,'m^3/(mol*s)'), n=3.06626, w0=(301000,'J/mol'), E0=(71138.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0285496797679189, var=0.2804817858373195, Tref=1000.0, N=18, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing',), comment="""BM rule fitted to 18 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing + Total Standard Deviation in ln(k): 1.1334512086275361"""), + rank = 11, + shortDesc = """BM rule fitted to 18 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing +Total Standard Deviation in ln(k): 1.1334512086275361""", + longDesc = +""" +BM rule fitted to 18 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing +Total Standard Deviation in ln(k): 1.1334512086275361 +""", +) + +entry( + index = 2491, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing", + kinetics = ArrheniusBM(A=(5.86628e-06,'m^3/(mol*s)'), n=3.40131, w0=(301000,'J/mol'), E0=(63151.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04797211625248894, var=0.13590580378250028, Tref=1000.0, N=45, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing',), comment="""BM rule fitted to 45 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing + Total Standard Deviation in ln(k): 0.8595866478184961"""), + rank = 11, + shortDesc = """BM rule fitted to 45 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing +Total Standard Deviation in ln(k): 0.8595866478184961""", + longDesc = +""" +BM rule fitted to 45 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing +Total Standard Deviation in ln(k): 0.8595866478184961 +""", +) + +entry( + index = 2492, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(9.4362e-06,'m^3/(mol*s)'), n=3.29784, w0=(301000,'J/mol'), E0=(55613.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.01513693085380699, var=0.19142788929748103, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 0.915153662893993"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.915153662893993""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.915153662893993 +""", +) + +entry( + index = 2493, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(5.91293e-09,'m^3/(mol*s)'), n=4.23433, w0=(301000,'J/mol'), E0=(54044.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10613545352479481, var=0.5739468772931385, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R + Total Standard Deviation in ln(k): 1.7854448896240327"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 1.7854448896240327""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 1.7854448896240327 +""", +) + +entry( + index = 2494, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.000759946,'m^3/(mol*s)'), n=2.72279, w0=(301000,'J/mol'), E0=(69002.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.006277365023491393, var=0.4160801497494962, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Sp-5R!H=4R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 1.3089121019278114"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.3089121019278114""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.3089121019278114 +""", +) + +entry( + index = 2495, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(8.07606e-05,'m^3/(mol*s)'), n=2.97189, w0=(301000,'J/mol'), E0=(65803.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.014428602528970168, var=0.20891356890057947, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.9525583127268512"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.9525583127268512""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.9525583127268512 +""", +) + +entry( + index = 2496, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(5.16297e-20,'m^3/(mol*s)'), n=7.51983, w0=(301000,'J/mol'), E0=(-5693.18,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2515517109595589, var=0.18859864447309593, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_Ext-2R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 1.5026547303057045"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.5026547303057045""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.5026547303057045 +""", +) + +entry( + index = 2497, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0472,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_Sp-5R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2498, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(2.29609e-20,'m^3/(mol*s)'), n=7.55634, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=5.321540562046514, var=0.0006409389836382307, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 13.4214583521895"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 13.4214583521895""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 13.4214583521895 +""", +) + +entry( + index = 2499, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Sp-6R!H-1R!H", + kinetics = ArrheniusBM(A=(1.57298e-05,'m^3/(mol*s)'), n=3.20524, w0=(301000,'J/mol'), E0=(65154.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.012272879298563242, var=2.6960758100738342, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Sp-6R!H-1R!H',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Sp-6R!H-1R!H + Total Standard Deviation in ln(k): 3.322557540783666"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Sp-6R!H-1R!H +Total Standard Deviation in ln(k): 3.322557540783666""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Sp-6R!H-1R!H +Total Standard Deviation in ln(k): 3.322557540783666 +""", +) + +entry( + index = 2500, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_N-Sp-6R!H-1R!H", + kinetics = ArrheniusBM(A=(4.14012e-24,'m^3/(mol*s)'), n=8.63025, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=7.156580839127161, var=1.5263281839586007, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_N-Sp-6R!H-1R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_N-Sp-6R!H-1R!H + Total Standard Deviation in ln(k): 20.45810193221985"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_N-Sp-6R!H-1R!H +Total Standard Deviation in ln(k): 20.45810193221985""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_N-Sp-6R!H-1R!H +Total Standard Deviation in ln(k): 20.45810193221985 +""", +) + +entry( + index = 2501, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H", + kinetics = ArrheniusBM(A=(5.9397e-06,'m^3/(mol*s)'), n=3.3346, w0=(301000,'J/mol'), E0=(59657.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.021672352815521056, var=0.2679944562169995, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H + Total Standard Deviation in ln(k): 1.0922680308497983"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H +Total Standard Deviation in ln(k): 1.0922680308497983""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H +Total Standard Deviation in ln(k): 1.0922680308497983 +""", +) + +entry( + index = 2502, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_N-Sp-6R!H-1R!H", + kinetics = ArrheniusBM(A=(3.56363e-22,'m^3/(mol*s)'), n=8.05759, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=5.839853691250629, var=0.0007134422445505091, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_N-Sp-6R!H-1R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_N-Sp-6R!H-1R!H + Total Standard Deviation in ln(k): 14.726546379085741"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_N-Sp-6R!H-1R!H +Total Standard Deviation in ln(k): 14.726546379085741""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_N-Sp-6R!H-1R!H +Total Standard Deviation in ln(k): 14.726546379085741 +""", +) + +entry( + index = 2503, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-5R!H-R_Ext-7R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(7.79634e-07,'m^3/(mol*s)'), n=3.27984, w0=(301000,'J/mol'), E0=(61644.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.00010545665417545891, var=0.02736387589834576, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-5R!H-R_Ext-7R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-5R!H-R_Ext-7R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 0.33188884588303"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-5R!H-R_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.33188884588303""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-5R!H-R_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.33188884588303 +""", +) + +entry( + index = 2504, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_N-2R!H->O_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(3.69871e-06,'m^3/(mol*s)'), n=3.18045, w0=(301000,'J/mol'), E0=(63990.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.005493458082121147, var=0.04497860477982642, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_N-2R!H->O_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_N-2R!H->O_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 0.4389700799702768"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_N-2R!H->O_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.4389700799702768""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_N-2R!H->O_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.4389700799702768 +""", +) + +entry( + index = 2505, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0172,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(79448.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2506, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(5.8763e-05,'m^3/(mol*s)'), n=3.05592, w0=(301000,'J/mol'), E0=(69756.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.00023330496779154971, var=0.02840334351048925, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.33845004021117"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.33845004021117""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.33845004021117 +""", +) + +entry( + index = 2507, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00377,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(69955.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2508, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00348,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(70393.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2509, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.000725244,'m^3/(mol*s)'), n=2.8957, w0=(301000,'J/mol'), E0=(65787.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.003929218401783018, var=0.020641162630782715, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 0.2978933505610481"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.2978933505610481""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.2978933505610481 +""", +) + +entry( + index = 2510, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00253304,'m^3/(mol*s)'), n=2.75925, w0=(301000,'J/mol'), E0=(69018.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0008769164788531557, var=0.026659868586117616, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Sp-5R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.32953344421663344"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.32953344421663344""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.32953344421663344 +""", +) + +entry( + index = 2511, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00028019,'m^3/(mol*s)'), n=2.93336, w0=(301000,'J/mol'), E0=(61084.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.00608029339406132, var=0.020881537308994613, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.3049702674308653"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.3049702674308653""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.3049702674308653 +""", +) + +entry( + index = 2512, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(2.97102e-15,'m^3/(mol*s)'), n=5.51646, w0=(301000,'J/mol'), E0=(7275.34,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.42065933754854984, var=0.6887579013762957, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R_Ext-2R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R_Ext-2R!H-R + Total Standard Deviation in ln(k): 2.7206915058116024"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.7206915058116024""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.7206915058116024 +""", +) + +entry( + index = 2513, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R_1R!H-inRing", + kinetics = ArrheniusBM(A=(5.1757e-05,'m^3/(mol*s)'), n=2.90893, w0=(259000,'J/mol'), E0=(56904.6,'J/mol'), Tmin=(303.03,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R_1R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R_1R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R_1R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R_1R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2514, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R_N-1R!H-inRing", + kinetics = ArrheniusBM(A=(7.49709e-16,'m^3/(mol*s)'), n=5.59432, w0=(301000,'J/mol'), E0=(6607.67,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4396915040768659, var=0.7077639617367655, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R_N-1R!H-inRing',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R_N-1R!H-inRing + Total Standard Deviation in ln(k): 2.791310255063079"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R_N-1R!H-inRing +Total Standard Deviation in ln(k): 2.791310255063079""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R_N-1R!H-inRing +Total Standard Deviation in ln(k): 2.791310255063079 +""", +) + +entry( + index = 2515, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_N-1R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(3.54496e-13,'m^3/(mol*s)'), n=4.93572, w0=(301000,'J/mol'), E0=(3469.91,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.23932702521937638, var=0.3879085523061995, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_N-1R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_N-1R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 1.8499194004312458"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_N-1R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.8499194004312458""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_N-1R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.8499194004312458 +""", +) + +entry( + index = 2516, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_N-1R!H-inRing_Ext-3R-R", + kinetics = ArrheniusBM(A=(9.46513e-13,'m^3/(mol*s)'), n=4.70456, w0=(301000,'J/mol'), E0=(12987.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.024407820282759403, var=1.1256441090186708, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_N-1R!H-inRing_Ext-3R-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_N-1R!H-inRing_Ext-3R-R + Total Standard Deviation in ln(k): 2.188277455620025"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_N-1R!H-inRing_Ext-3R-R +Total Standard Deviation in ln(k): 2.188277455620025""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_N-1R!H-inRing_Ext-3R-R +Total Standard Deviation in ln(k): 2.188277455620025 +""", +) + +entry( + index = 2517, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(1.31731e-09,'m^3/(mol*s)'), n=4.09868, w0=(301000,'J/mol'), E0=(23006.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.16001296884312793, var=0.3912291737084166, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-1R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-1R!H-R + Total Standard Deviation in ln(k): 1.655970650854481"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 1.655970650854481""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 1.655970650854481 +""", +) + +entry( + index = 2518, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(1.67757e-06,'m^3/(mol*s)'), n=3.20811, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.8252791037121782, var=0.006414934417872244, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-3R-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-3R-R + Total Standard Deviation in ln(k): 2.234131406568753"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 2.234131406568753""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 2.234131406568753 +""", +) + +entry( + index = 2519, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(1.01157e-10,'m^3/(mol*s)'), n=4.27387, w0=(301000,'J/mol'), E0=(12284.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1735682210881071, var=0.11485661639876886, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_Ext-3R-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_Ext-3R-R + Total Standard Deviation in ln(k): 1.1155158508003686"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 1.1155158508003686""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 1.1155158508003686 +""", +) + +entry( + index = 2520, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.000434,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(62754.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2521, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.000507,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(63650,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2522, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(1.53566e-07,'m^3/(mol*s)'), n=3.35999, w0=(301000,'J/mol'), E0=(21455,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0026311624994821456, var=0.11158320349574187, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R + Total Standard Deviation in ln(k): 0.6762741123494825"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 0.6762741123494825""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 0.6762741123494825 +""", +) + +entry( + index = 2523, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-3R-R_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.000391,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(54412.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-3R-R_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-3R-R_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-3R-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-3R-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2524, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-3R-R_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.000457,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(54233.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-3R-R_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-3R-R_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-3R-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-3R-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2525, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_N-Sp-7R!H#6R!H_1R!H-inRing", + kinetics = ArrheniusBM(A=(0.00052405,'m^3/(mol*s)'), n=2.63245, w0=(259000,'J/mol'), E0=(49716.7,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_N-Sp-7R!H#6R!H_1R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_N-Sp-7R!H#6R!H_1R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_N-Sp-7R!H#6R!H_1R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_N-Sp-7R!H#6R!H_1R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2526, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_N-Sp-7R!H#6R!H_N-1R!H-inRing", + kinetics = ArrheniusBM(A=(0.000487,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(62420.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_N-Sp-7R!H#6R!H_N-1R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_N-Sp-7R!H#6R!H_N-1R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_N-Sp-7R!H#6R!H_N-1R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_N-Sp-7R!H#6R!H_N-1R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2527, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_Ext-3R-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.000143955,'m^3/(mol*s)'), n=2.56756, w0=(301000,'J/mol'), E0=(50977,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0011183062051508858, var=0.34159898265201705, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_Ext-3R-R_Ext-3R-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_Ext-3R-R_Ext-3R-R + Total Standard Deviation in ln(k): 1.174506695211058"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 1.174506695211058""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 1.174506695211058 +""", +) + +entry( + index = 2528, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_Ext-3R-R_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.000307,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(57208.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_Ext-3R-R_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_Ext-3R-R_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_Ext-3R-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_Ext-3R-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2529, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_Ext-3R-R_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.000397,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(56681.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_Ext-3R-R_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_Ext-3R-R_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_Ext-3R-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_Ext-3R-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2530, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_N-Sp-7R!H#6R!H_1R!H-inRing", + kinetics = ArrheniusBM(A=(2.20765e-05,'m^3/(mol*s)'), n=2.98911, w0=(259000,'J/mol'), E0=(51618.9,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_N-Sp-7R!H#6R!H_1R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_N-Sp-7R!H#6R!H_1R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_N-Sp-7R!H#6R!H_1R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_N-Sp-7R!H#6R!H_1R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2531, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_N-Sp-7R!H#6R!H_N-1R!H-inRing", + kinetics = ArrheniusBM(A=(0.000382,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(65750.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_N-Sp-7R!H#6R!H_N-1R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_N-Sp-7R!H#6R!H_N-1R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_N-Sp-7R!H#6R!H_N-1R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_N-Sp-7R!H#6R!H_N-1R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2532, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-3R-R_Ext-3R-R_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.000255,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(46195.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-3R-R_Ext-3R-R_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-3R-R_Ext-3R-R_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-3R-R_Ext-3R-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-3R-R_Ext-3R-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2533, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00033,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(44184.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2534, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.000254,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(38686.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2535, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-3R-R_Ext-3R-R_Sp-6R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000202,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(42245.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-3R-R_Ext-3R-R_Sp-6R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-3R-R_Ext-3R-R_Sp-6R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-3R-R_Ext-3R-R_Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-3R-R_Ext-3R-R_Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2536, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-6R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000217,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(52293.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-6R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-6R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2537, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(1.4044e-11,'m^3/(mol*s)'), n=4.5844, w0=(301000,'J/mol'), E0=(22307.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.17418165499328261, var=0.3368666913711935, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3R-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3R-R + Total Standard Deviation in ln(k): 1.6011949598917514"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 1.6011949598917514""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 1.6011949598917514 +""", +) + +entry( + index = 2538, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.000221416,'m^3/(mol*s)'), n=2.62127, w0=(301000,'J/mol'), E0=(68318.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.008285262741740991, var=0.12629044491346947, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 0.7332473037281839"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.7332473037281839""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.7332473037281839 +""", +) + +entry( + index = 2539, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.0138006,'m^3/(mol*s)'), n=1.94536, w0=(301000,'J/mol'), E0=(55510.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.11190051059464781, var=0.3529583724937188, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-3R-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-3R-R + Total Standard Deviation in ln(k): 1.4721761819117931"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 1.4721761819117931""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 1.4721761819117931 +""", +) + +entry( + index = 2540, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.0154682,'m^3/(mol*s)'), n=1.95645, w0=(301000,'J/mol'), E0=(64244.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.004674398869603273, var=0.18763624988330155, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 0.880135816528102"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.880135816528102""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.880135816528102 +""", +) + +entry( + index = 2541, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.000525,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(65607.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2542, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000248,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(63797.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2543, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_N-Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000262,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(61319.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_N-Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_N-Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2544, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(2.08292e-06,'m^3/(mol*s)'), n=3.29215, w0=(301000,'J/mol'), E0=(30431.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08388902368100097, var=0.25507965979233915, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 1.2232761431491712"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 1.2232761431491712""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 1.2232761431491712 +""", +) + +entry( + index = 2545, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(1.13988e-07,'m^3/(mol*s)'), n=3.51915, w0=(301000,'J/mol'), E0=(21020.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0926860272069577, var=0.1700511053313143, Tref=1000.0, N=16, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R',), comment="""BM rule fitted to 16 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R + Total Standard Deviation in ln(k): 1.0595771456437166"""), + rank = 11, + shortDesc = """BM rule fitted to 16 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 1.0595771456437166""", + longDesc = +""" +BM rule fitted to 16 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 1.0595771456437166 +""", +) + +entry( + index = 2546, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.000368432,'m^3/(mol*s)'), n=2.62202, w0=(301000,'J/mol'), E0=(57730,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.00046961499042283384, var=0.07004159692219877, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 0.5317405535078541"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.5317405535078541""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.5317405535078541 +""", +) + +entry( + index = 2547, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.000811,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(55929.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2548, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.000948,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(57154.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2549, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.000332373,'m^3/(mol*s)'), n=2.56495, w0=(301000,'J/mol'), E0=(41910.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.036476728612674696, var=0.2069924463770333, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Ext-3R-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Ext-3R-R + Total Standard Deviation in ln(k): 1.003732813472985"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 1.003732813472985""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 1.003732813472985 +""", +) + +entry( + index = 2550, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00018024,'m^3/(mol*s)'), n=2.6467, w0=(301000,'J/mol'), E0=(51256.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04817035632396226, var=0.3485361689192506, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 1.3045655293272356"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 1.3045655293272356""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 1.3045655293272356 +""", +) + +entry( + index = 2551, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(5.20303e-05,'m^3/(mol*s)'), n=2.83741, w0=(301000,'J/mol'), E0=(48785,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.045420108346394254, var=0.3111216600924197, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 1.2323276345552705"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 1.2323276345552705""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 1.2323276345552705 +""", +) + +entry( + index = 2552, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.000542823,'m^3/(mol*s)'), n=2.53572, w0=(301000,'J/mol'), E0=(59565.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.004348341129988162, var=0.2934845816188696, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.096975016625218"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.096975016625218""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.096975016625218 +""", +) + +entry( + index = 2553, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.00017299,'m^3/(mol*s)'), n=2.7183, w0=(301000,'J/mol'), E0=(57705.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.00018455438080357001, var=0.2107893299090776, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R + Total Standard Deviation in ln(k): 0.9208736462388734"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.9208736462388734""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.9208736462388734 +""", +) + +entry( + index = 2554, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.00545911,'m^3/(mol*s)'), n=2.24616, w0=(301000,'J/mol'), E0=(40591.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.019424480326181905, var=0.07479716551311995, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 0.5970816358416032"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.5970816358416032""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.5970816358416032 +""", +) + +entry( + index = 2555, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.00145,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(48559.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2556, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000683,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(44133.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2557, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000721,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(41558.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2558, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Sp-7R!H-2R!H_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.0163288,'m^3/(mol*s)'), n=2.08713, w0=(301000,'J/mol'), E0=(46188.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.022222072046926354, var=0.07303494017700511, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Sp-7R!H-2R!H_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Sp-7R!H-2R!H_Ext-5R!H-R + Total Standard Deviation in ln(k): 0.5976135528416291"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Sp-7R!H-2R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.5976135528416291""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Sp-7R!H-2R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.5976135528416291 +""", +) + +entry( + index = 2559, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-7R!H-2R!H_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.00315986,'m^3/(mol*s)'), n=2.35344, w0=(301000,'J/mol'), E0=(56607.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.00896856181350471, var=0.1875453060400205, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-7R!H-2R!H_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-7R!H-2R!H_Ext-5R!H-R + Total Standard Deviation in ln(k): 0.8907146985469114"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-7R!H-2R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.8907146985469114""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-7R!H-2R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.8907146985469114 +""", +) + +entry( + index = 2560, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.00115,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(49734.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2561, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Sp-7R!H-2R!H_Ext-5R!H-R_Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000543,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(46571.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Sp-7R!H-2R!H_Ext-5R!H-R_Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Sp-7R!H-2R!H_Ext-5R!H-R_Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Sp-7R!H-2R!H_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Sp-7R!H-2R!H_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2562, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000573,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(43950.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2563, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.00124,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(55960.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2564, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000584,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(55559.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2565, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000616,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(52603.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2566, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.000847,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(40986,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2567, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.0004,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(37803.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2568, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000423,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(35167.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_3R->C_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2569, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.000334936,'m^3/(mol*s)'), n=2.5614, w0=(301000,'J/mol'), E0=(48351.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0011474782030752126, var=0.029572789054344194, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R + Total Standard Deviation in ln(k): 0.3476322039513917"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 0.3476322039513917""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 0.3476322039513917 +""", +) + +entry( + index = 2570, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000841,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(55365.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2571, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000928,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(55567.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2572, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000294,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(42504.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2573, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_N-Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000324,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(43025.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_N-Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_N-Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2574, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_Sp-11R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00311,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_Sp-11R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_Sp-11R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2575, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_N-Sp-11R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00343,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_N-Sp-11R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_N-Sp-11R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_N-Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_N-Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2576, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R", + kinetics = ArrheniusBM(A=(7.49435e-10,'m^3/(mol*s)'), n=4.20453, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1700422877472451, var=0.47880888819154266, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R + Total Standard Deviation in ln(k): 1.814438770377249"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R +Total Standard Deviation in ln(k): 1.814438770377249""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R +Total Standard Deviation in ln(k): 1.814438770377249 +""", +) + +entry( + index = 2577, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(1.72332e-11,'m^3/(mol*s)'), n=4.57317, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=2.2368107078837958, var=0.6785939153932085, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-1R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-1R!H-R + Total Standard Deviation in ln(k): 7.271564252381803"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 7.271564252381803""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 7.271564252381803 +""", +) + +entry( + index = 2578, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.0005,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2579, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R", + kinetics = ArrheniusBM(A=(1.25317e-05,'m^3/(mol*s)'), n=3.10875, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06621077949945868, var=0.9437851641064487, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R + Total Standard Deviation in ln(k): 2.1139309234532684"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R +Total Standard Deviation in ln(k): 2.1139309234532684""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R +Total Standard Deviation in ln(k): 2.1139309234532684 +""", +) + +entry( + index = 2580, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(7.71165e-08,'m^3/(mol*s)'), n=3.68259, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12058608475942853, var=0.23555133939899112, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1R!H-R + Total Standard Deviation in ln(k): 1.275950849005413"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 1.275950849005413""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 1.275950849005413 +""", +) + +entry( + index = 2581, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R", + kinetics = ArrheniusBM(A=(1.01909e-05,'m^3/(mol*s)'), n=3.04995, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.6617329398667768, var=0.1807307310299574, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R + Total Standard Deviation in ln(k): 2.5149073168529474"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R +Total Standard Deviation in ln(k): 2.5149073168529474""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R +Total Standard Deviation in ln(k): 2.5149073168529474 +""", +) + +entry( + index = 2582, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00289,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2583, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00375,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2584, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-2C-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.00153,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(60363.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-2C-R_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-2C-R_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-2C-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-2C-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2585, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-3R-R_Sp-6R!H-2C", + kinetics = ArrheniusBM(A=(0.00122,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(61793,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-3R-R_Sp-6R!H-2C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-3R-R_Sp-6R!H-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-3R-R_Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-3R-R_Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2586, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-3R-R_N-Sp-6R!H-2C", + kinetics = ArrheniusBM(A=(0.00131,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(70719.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-3R-R_N-Sp-6R!H-2C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-3R-R_N-Sp-6R!H-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-3R-R_N-Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-3R-R_N-Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2587, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R", + kinetics = ArrheniusBM(A=(1.1291e-07,'m^3/(mol*s)'), n=3.68199, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12052836141342661, var=0.23654235595384282, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R + Total Standard Deviation in ln(k): 1.2778504186902604"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R +Total Standard Deviation in ln(k): 1.2778504186902604""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R +Total Standard Deviation in ln(k): 1.2778504186902604 +""", +) + +entry( + index = 2588, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R", + kinetics = ArrheniusBM(A=(3.17126e-08,'m^3/(mol*s)'), n=3.70692, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12289146869187821, var=0.21198035381769564, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R + Total Standard Deviation in ln(k): 1.2317791116257388"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R +Total Standard Deviation in ln(k): 1.2317791116257388""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R +Total Standard Deviation in ln(k): 1.2317791116257388 +""", +) + +entry( + index = 2589, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(2.69362e-08,'m^3/(mol*s)'), n=3.81642, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1332671129922487, var=0.321365790037548, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.4713089444610936"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.4713089444610936""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.4713089444610936 +""", +) + +entry( + index = 2590, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R", + kinetics = ArrheniusBM(A=(690.348,'m^3/(mol*s)'), n=1.03906, w0=(301000,'J/mol'), E0=(73674.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.16386327092742736, var=0.2239787775076846, Tref=1000.0, N=24, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R',), comment="""BM rule fitted to 24 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R + Total Standard Deviation in ln(k): 1.3604856261456209"""), + rank = 11, + shortDesc = """BM rule fitted to 24 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R +Total Standard Deviation in ln(k): 1.3604856261456209""", + longDesc = +""" +BM rule fitted to 24 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R +Total Standard Deviation in ln(k): 1.3604856261456209 +""", +) + +entry( + index = 2591, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.000139946,'m^3/(mol*s)'), n=2.81818, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03867741572209603, var=0.17673198606531065, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R + Total Standard Deviation in ln(k): 0.9399601109753056"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R +Total Standard Deviation in ln(k): 0.9399601109753056""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R +Total Standard Deviation in ln(k): 0.9399601109753056 +""", +) + +entry( + index = 2592, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(7.48896e-05,'m^3/(mol*s)'), n=2.9587, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.051992591084030995, var=0.20877961506999063, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 1.0466463822552954"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 1.0466463822552954""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 1.0466463822552954 +""", +) + +entry( + index = 2593, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.000176294,'m^3/(mol*s)'), n=2.88448, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04496033286983954, var=0.21152871113185562, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 1.0349884402806708"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 1.0349884402806708""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 1.0349884402806708 +""", +) + +entry( + index = 2594, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-3R-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.0164067,'m^3/(mol*s)'), n=2.26621, w0=(301000,'J/mol'), E0=(55946.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-6.0204485821894116e-05, var=0.215549317552052, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-3R-R_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-3R-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 0.9308954181296032"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-3R-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.9308954181296032""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-3R-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.9308954181296032 +""", +) + +entry( + index = 2595, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.0121,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(57894.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2596, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00573,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(57472.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2597, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00606,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(54660.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2598, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_Sp-7R!H-2C_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.017974,'m^3/(mol*s)'), n=2.23252, w0=(301000,'J/mol'), E0=(58125.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0027294337275879264, var=0.2741269130023784, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_Sp-7R!H-2C_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_Sp-7R!H-2C_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.0564796373685066"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_Sp-7R!H-2C_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.0564796373685066""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_Sp-7R!H-2C_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.0564796373685066 +""", +) + +entry( + index = 2599, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_N-Sp-7R!H-2C_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.0034194,'m^3/(mol*s)'), n=2.49397, w0=(301000,'J/mol'), E0=(67146.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1510204076852655, var=0.34362423267269426, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_N-Sp-7R!H-2C_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_N-Sp-7R!H-2C_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.554613348671471"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_N-Sp-7R!H-2C_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.554613348671471""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_N-Sp-7R!H-2C_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.554613348671471 +""", +) + +entry( + index = 2600, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Sp-7R!H-2C_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.00965,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(58568.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Sp-7R!H-2C_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Sp-7R!H-2C_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Sp-7R!H-2C_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Sp-7R!H-2C_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2601, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Sp-7R!H-2C_Ext-5R!H-R_Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00456,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(59119.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Sp-7R!H-2C_Ext-5R!H-R_Sp-8R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Sp-7R!H-2C_Ext-5R!H-R_Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Sp-7R!H-2C_Ext-5R!H-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Sp-7R!H-2C_Ext-5R!H-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2602, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Sp-7R!H-2C_Ext-5R!H-R_N-Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00481,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(56365.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Sp-7R!H-2C_Ext-5R!H-R_N-Sp-8R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Sp-7R!H-2C_Ext-5R!H-R_N-Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Sp-7R!H-2C_Ext-5R!H-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Sp-7R!H-2C_Ext-5R!H-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2603, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_N-Sp-7R!H-2C_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.0104,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_N-Sp-7R!H-2C_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_N-Sp-7R!H-2C_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_N-Sp-7R!H-2C_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_N-Sp-7R!H-2C_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2604, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_N-Sp-7R!H-2C_Ext-5R!H-R_Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(0.0049,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(64679.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_N-Sp-7R!H-2C_Ext-5R!H-R_Sp-8R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_N-Sp-7R!H-2C_Ext-5R!H-R_Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_N-Sp-7R!H-2C_Ext-5R!H-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_N-Sp-7R!H-2C_Ext-5R!H-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2605, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_N-Sp-7R!H-2C_Ext-5R!H-R_N-Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00518,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_N-Sp-7R!H-2C_Ext-5R!H-R_N-Sp-8R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_N-Sp-7R!H-2C_Ext-5R!H-R_N-Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_N-Sp-7R!H-2C_Ext-5R!H-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_N-Sp-7R!H-2C_Ext-5R!H-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2606, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(1.91725e-05,'m^3/(mol*s)'), n=3.05887, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06148421701042268, var=0.2702668186225399, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R + Total Standard Deviation in ln(k): 1.1966884415354315"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R +Total Standard Deviation in ln(k): 1.1966884415354315""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R +Total Standard Deviation in ln(k): 1.1966884415354315 +""", +) + +entry( + index = 2607, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(2.70886e-05,'m^3/(mol*s)'), n=3.10834, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.7221192157481559, var=0.11694726053903783, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-5R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 2.499940221854404"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 2.499940221854404""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 2.499940221854404 +""", +) + +entry( + index = 2608, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(8.25175e-06,'m^3/(mol*s)'), n=3.08401, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.6969582674642478, var=0.11545668478490215, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R_Ext-5R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 2.4323387077771184"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 2.4323387077771184""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 2.4323387077771184 +""", +) + +entry( + index = 2609, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00333,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2610, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00367,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2611, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(7.64961,'m^3/(mol*s)'), n=1.69381, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06786320343161159, var=0.25603855115405366, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.1849115642779036"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.1849115642779036""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.1849115642779036 +""", +) + +entry( + index = 2612, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.0620678,'m^3/(mol*s)'), n=2.1245, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.027053056132373896, var=0.13788501741363116, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R + Total Standard Deviation in ln(k): 0.812388210688889"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R +Total Standard Deviation in ln(k): 0.812388210688889""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R +Total Standard Deviation in ln(k): 0.812388210688889 +""", +) + +entry( + index = 2613, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.0876157,'m^3/(mol*s)'), n=2.17397, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.02236488473612845, var=0.09311540282799005, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 0.6679344086464148"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.6679344086464148""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.6679344086464148 +""", +) + +entry( + index = 2614, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00879,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2615, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.0103,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2616, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.0368647,'m^3/(mol*s)'), n=2.19344, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.020520356364628352, var=0.15978839034939885, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 0.8529222632325572"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.8529222632325572""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.8529222632325572 +""", +) + +entry( + index = 2617, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00411,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2618, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00532,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2619, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00954247,'m^3/(mol*s)'), n=2.43433, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.025160948283907816, var=0.17771127386349164, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 0.9083308735675248"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 0.9083308735675248""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 0.9083308735675248 +""", +) + +entry( + index = 2620, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(0.0981633,'m^3/(mol*s)'), n=2.15694, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2616738621526418, var=0.1757964169382557, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 1.4980190086938683"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 1.4980190086938683""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 1.4980190086938683 +""", +) + +entry( + index = 2621, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(4.92688e-05,'m^3/(mol*s)'), n=3.02521, w0=(301000,'J/mol'), E0=(42875,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.7169846512154172, var=0.5130479737312409, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R_Ext-5R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 3.237407928918279"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 3.237407928918279""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 3.237407928918279 +""", +) + +entry( + index = 2622, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-5R!H-R_Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(0.0114,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-5R!H-R_Sp-8R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-5R!H-R_Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-5R!H-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-5R!H-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2623, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-5R!H-R_N-Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(0.0126,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-5R!H-R_N-Sp-8R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-5R!H-R_N-Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-5R!H-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-5R!H-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2624, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000407852,'m^3/(mol*s)'), n=2.75738, w0=(301000,'J/mol'), E0=(51959.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0025214036322612735, var=0.34495523884678325, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Sp-8R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 1.183774036338453"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 1.183774036338453""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 1.183774036338453 +""", +) + +entry( + index = 2625, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_N-Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(3.17004e-06,'m^3/(mol*s)'), n=3.3667, w0=(301000,'J/mol'), E0=(42971.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.8376378770366584, var=0.5961146902666418, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_N-Sp-8R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_N-Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 3.652442940651728"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 3.652442940651728""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 3.652442940651728 +""", +) + +entry( + index = 2626, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H_Sp-6R!H-2C", + kinetics = ArrheniusBM(A=(0.00909,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H_Sp-6R!H-2C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H_Sp-6R!H-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H_Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H_Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2627, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H_N-Sp-6R!H-2C", + kinetics = ArrheniusBM(A=(0.00977,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H_N-Sp-6R!H-2C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H_N-Sp-6R!H-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H_N-Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H_N-Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2628, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H_Sp-6R!H-2C", + kinetics = ArrheniusBM(A=(0.01,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H_Sp-6R!H-2C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H_Sp-6R!H-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H_Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H_Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2629, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H_N-Sp-6R!H-2C", + kinetics = ArrheniusBM(A=(0.0108,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H_N-Sp-6R!H-2C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H_N-Sp-6R!H-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H_N-Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H_N-Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2630, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_5R!H-inRing_1R!H-inRing_Sp-2R!H-=1R!H", + kinetics = ArrheniusBM(A=(0.000643,'m^3/(mol*s)'), n=2.8, w0=(259000,'J/mol'), E0=(58638.1,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_5R!H-inRing_1R!H-inRing_Sp-2R!H-=1R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_5R!H-inRing_1R!H-inRing_Sp-2R!H-=1R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_5R!H-inRing_1R!H-inRing_Sp-2R!H-=1R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_5R!H-inRing_1R!H-inRing_Sp-2R!H-=1R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2631, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_5R!H-inRing_1R!H-inRing_N-Sp-2R!H-=1R!H", + kinetics = ArrheniusBM(A=(0.003206,'m^3/(mol*s)'), n=2.611, w0=(301000,'J/mol'), E0=(69220.3,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_5R!H-inRing_1R!H-inRing_N-Sp-2R!H-=1R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_5R!H-inRing_1R!H-inRing_N-Sp-2R!H-=1R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_5R!H-inRing_1R!H-inRing_N-Sp-2R!H-=1R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_5R!H-inRing_1R!H-inRing_N-Sp-2R!H-=1R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2632, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.00292,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2633, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(3.88546e-05,'m^3/(mol*s)'), n=2.75861, w0=(301000,'J/mol'), E0=(-29321.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2199596407546785, var=1.8035924989516103, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R + Total Standard Deviation in ln(k): 3.244979452189168"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.244979452189168""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.244979452189168 +""", +) + +entry( + index = 2634, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-5R!H-inRing_Ext-5R!H-R_Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00422,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-5R!H-inRing_Ext-5R!H-R_Sp-10R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-5R!H-inRing_Ext-5R!H-R_Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-5R!H-inRing_Ext-5R!H-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-5R!H-inRing_Ext-5R!H-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2635, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-5R!H-inRing_Ext-5R!H-R_N-Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00547,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-5R!H-inRing_Ext-5R!H-R_N-Sp-10R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-5R!H-inRing_Ext-5R!H-R_N-Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-5R!H-inRing_Ext-5R!H-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-5R!H-inRing_Ext-5R!H-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2636, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_Ext-7R!H-R_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(5.41808e-06,'m^3/(mol*s)'), n=3.55607, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.1850830696164472, var=0.11634858892084701, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_Ext-7R!H-R_Ext-4R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_Ext-7R!H-R_Ext-4R!H-R + Total Standard Deviation in ln(k): 3.6614089620759627"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_Ext-7R!H-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 3.6614089620759627""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_Ext-7R!H-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 3.6614089620759627 +""", +) + +entry( + index = 2637, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_Ext-4R!H-R_Sp-8R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00010893,'m^3/(mol*s)'), n=3.07552, w0=(301000,'J/mol'), E0=(53844.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.8266884535782917, var=0.025574087575122258, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_Ext-4R!H-R_Sp-8R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_Ext-4R!H-R_Sp-8R!H=4R!H + Total Standard Deviation in ln(k): 4.910264716550772"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_Ext-4R!H-R_Sp-8R!H=4R!H +Total Standard Deviation in ln(k): 4.910264716550772""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_Ext-4R!H-R_Sp-8R!H=4R!H +Total Standard Deviation in ln(k): 4.910264716550772 +""", +) + +entry( + index = 2638, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_Ext-4R!H-R_N-Sp-8R!H=4R!H", + kinetics = ArrheniusBM(A=(1.28132e-07,'m^3/(mol*s)'), n=3.89915, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.5398512376973548, var=0.023370330019296545, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_Ext-4R!H-R_N-Sp-8R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_Ext-4R!H-R_N-Sp-8R!H=4R!H + Total Standard Deviation in ln(k): 4.175443977811716"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_Ext-4R!H-R_N-Sp-8R!H=4R!H +Total Standard Deviation in ln(k): 4.175443977811716""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_Ext-4R!H-R_N-Sp-8R!H=4R!H +Total Standard Deviation in ln(k): 4.175443977811716 +""", +) + +entry( + index = 2639, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-4R!H-R_Sp-7R!H=4R!H_Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(0.0149,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(59806.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-4R!H-R_Sp-7R!H=4R!H_Sp-6R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-4R!H-R_Sp-7R!H=4R!H_Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-4R!H-R_Sp-7R!H=4R!H_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-4R!H-R_Sp-7R!H=4R!H_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2640, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-4R!H-R_Sp-7R!H=4R!H_N-Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(0.0193,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-4R!H-R_Sp-7R!H=4R!H_N-Sp-6R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-4R!H-R_Sp-7R!H=4R!H_N-Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-4R!H-R_Sp-7R!H=4R!H_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-4R!H-R_Sp-7R!H=4R!H_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2641, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-4R!H-R_N-Sp-7R!H=4R!H_Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(0.0164,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-4R!H-R_N-Sp-7R!H=4R!H_Sp-6R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-4R!H-R_N-Sp-7R!H=4R!H_Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-4R!H-R_N-Sp-7R!H=4R!H_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-4R!H-R_N-Sp-7R!H=4R!H_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2642, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-4R!H-R_N-Sp-7R!H=4R!H_N-Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(0.0213,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-4R!H-R_N-Sp-7R!H=4R!H_N-Sp-6R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-4R!H-R_N-Sp-7R!H=4R!H_N-Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-4R!H-R_N-Sp-7R!H=4R!H_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-4R!H-R_N-Sp-7R!H=4R!H_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2643, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Sp-4R!H-1R!H_Ext-4R!H-R_Ext-2R!H-R_Sp-6R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0167,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(60391.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Sp-4R!H-1R!H_Ext-4R!H-R_Ext-2R!H-R_Sp-6R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Sp-4R!H-1R!H_Ext-4R!H-R_Ext-2R!H-R_Sp-6R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Sp-4R!H-1R!H_Ext-4R!H-R_Ext-2R!H-R_Sp-6R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Sp-4R!H-1R!H_Ext-4R!H-R_Ext-2R!H-R_Sp-6R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2644, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Sp-4R!H-1R!H_Ext-4R!H-R_Ext-2R!H-R_N-Sp-6R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0184,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(61502.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Sp-4R!H-1R!H_Ext-4R!H-R_Ext-2R!H-R_N-Sp-6R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Sp-4R!H-1R!H_Ext-4R!H-R_Ext-2R!H-R_N-Sp-6R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Sp-4R!H-1R!H_Ext-4R!H-R_Ext-2R!H-R_N-Sp-6R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Sp-4R!H-1R!H_Ext-4R!H-R_Ext-2R!H-R_N-Sp-6R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2645, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_4R!H-u0_4R!H->C_Sp-4C-1R!H_N-4C-inRing_Ext-4C-R_Ext-5R!H-R_Ext-5R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.02056,'m^3/(mol*s)'), n=2.169, w0=(301000,'J/mol'), E0=(62089.7,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_4R!H-u0_4R!H->C_Sp-4C-1R!H_N-4C-inRing_Ext-4C-R_Ext-5R!H-R_Ext-5R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_4R!H-u0_4R!H->C_Sp-4C-1R!H_N-4C-inRing_Ext-4C-R_Ext-5R!H-R_Ext-5R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_4R!H-u0_4R!H->C_Sp-4C-1R!H_N-4C-inRing_Ext-4C-R_Ext-5R!H-R_Ext-5R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_N-2R!H->S_4R!H-u0_4R!H->C_Sp-4C-1R!H_N-4C-inRing_Ext-4C-R_Ext-5R!H-R_Ext-5R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2646, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_N-Sp-5R!H-4R!H_4R!H-inRing_Ext-2CNO-R_2CNO-inRing", + kinetics = ArrheniusBM(A=(0.00054993,'m^3/(mol*s)'), n=2.65224, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(303.03,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_N-Sp-5R!H-4R!H_4R!H-inRing_Ext-2CNO-R_2CNO-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_N-Sp-5R!H-4R!H_4R!H-inRing_Ext-2CNO-R_2CNO-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_N-Sp-5R!H-4R!H_4R!H-inRing_Ext-2CNO-R_2CNO-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_N-Sp-5R!H-4R!H_4R!H-inRing_Ext-2CNO-R_2CNO-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2647, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_N-Sp-5R!H-4R!H_4R!H-inRing_Ext-2CNO-R_N-2CNO-inRing", + kinetics = ArrheniusBM(A=(0.0163,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_N-Sp-5R!H-4R!H_4R!H-inRing_Ext-2CNO-R_N-2CNO-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_N-Sp-5R!H-4R!H_4R!H-inRing_Ext-2CNO-R_N-2CNO-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_N-Sp-5R!H-4R!H_4R!H-inRing_Ext-2CNO-R_N-2CNO-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_N-Sp-5R!H-4R!H_4R!H-inRing_Ext-2CNO-R_N-2CNO-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2648, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-4R!H-inRing_Ext-2CNO-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.0816,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-4R!H-inRing_Ext-2CNO-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-4R!H-inRing_Ext-2CNO-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-4R!H-inRing_Ext-2CNO-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-4R!H-inRing_Ext-2CNO-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2649, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-4R!H-inRing_Ext-2CNO-R_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0268,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-4R!H-inRing_Ext-2CNO-R_Sp-5R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-4R!H-inRing_Ext-2CNO-R_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-4R!H-inRing_Ext-2CNO-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-4R!H-inRing_Ext-2CNO-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2650, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-4R!H-inRing_Ext-2CNO-R_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0313,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-4R!H-inRing_Ext-2CNO-R_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-4R!H-inRing_Ext-2CNO-R_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-4R!H-inRing_Ext-2CNO-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_Sp-2CNO=1CCNNO_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-4R!H-inRing_Ext-2CNO-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2651, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.0592,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2652, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R_Sp-11R!H=5R!H", + kinetics = ArrheniusBM(A=(0.028,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R_Sp-11R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R_Sp-11R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R_Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R_Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2653, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R_N-Sp-11R!H=5R!H", + kinetics = ArrheniusBM(A=(0.0295,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R_N-Sp-11R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R_N-Sp-11R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R_N-Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R_N-Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2654, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.0194,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R_Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2655, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.0227,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2656, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00918,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H_Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2657, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.0107,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2658, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00969,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2659, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.0113,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2660, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(0.0557,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2661, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(0.0615,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2662, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-9R!H=5R!H_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.0183,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-9R!H=5R!H_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-9R!H=5R!H_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-9R!H=5R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-9R!H=5R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2663, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-9R!H=5R!H_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.0214,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-9R!H=5R!H_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-9R!H=5R!H_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-9R!H=5R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-9R!H=5R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2664, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.0202,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2665, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.0236,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2666, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.00253172,'m^3/(mol*s)'), n=2.21859, w0=(301000,'J/mol'), E0=(81587.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=8.204915050487533e-05, var=0.23767618763836204, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 0.9775554975610256"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.9775554975610256""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.9775554975610256 +""", +) + +entry( + index = 2667, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(0.000155,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(71632.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-1R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-1R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2668, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.000359313,'m^3/(mol*s)'), n=2.57436, w0=(301000,'J/mol'), E0=(75928.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.056921247062780685, var=0.5832892696681383, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 1.6741020848865087"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.6741020848865087""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.6741020848865087 +""", +) + +entry( + index = 2669, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(0.00881268,'m^3/(mol*s)'), n=2.11003, w0=(301000,'J/mol'), E0=(73998.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-2.073714169299131e-06, var=0.15624078410117645, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-1R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-1R!H-R + Total Standard Deviation in ln(k): 0.7924229589344696"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 0.7924229589344696""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 0.7924229589344696 +""", +) + +entry( + index = 2670, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.000534,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(70496.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2671, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.000693,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(71334.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2672, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(0.000965,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(79084.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2673, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R", + kinetics = ArrheniusBM(A=(0.212189,'m^3/(mol*s)'), n=1.9832, w0=(301000,'J/mol'), E0=(95492.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0007008449182053706, var=0.00023298421320793296, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R + Total Standard Deviation in ln(k): 0.03236083305113114"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R +Total Standard Deviation in ln(k): 0.03236083305113114""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R +Total Standard Deviation in ln(k): 0.03236083305113114 +""", +) + +entry( + index = 2674, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(0.000915016,'m^3/(mol*s)'), n=2.53427, w0=(301000,'J/mol'), E0=(72928.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=3.6184526211013896e-06, var=0.10313222446033403, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R + Total Standard Deviation in ln(k): 0.643813849589313"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 0.643813849589313""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 0.643813849589313 +""", +) + +entry( + index = 2675, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.00178,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(72263.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2676, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.00208,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(72701.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2677, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.00139,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(71336.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2678, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.00181,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(72839.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2679, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.0383916,'m^3/(mol*s)'), n=1.9995, w0=(301000,'J/mol'), E0=(76946.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.013503785534789679, var=0.2891678594480099, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 1.111961970659458"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.111961970659458""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.111961970659458 +""", +) + +entry( + index = 2680, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(12.5318,'m^3/(mol*s)'), n=1.14141, w0=(301000,'J/mol'), E0=(77571.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.015508701050954905, var=0.14488983982877468, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-8R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-8R!H-R + Total Standard Deviation in ln(k): 0.8020569250988856"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.8020569250988856""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.8020569250988856 +""", +) + +entry( + index = 2681, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.00362841,'m^3/(mol*s)'), n=2.4057, w0=(301000,'J/mol'), E0=(70929.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.05395475746944354, var=0.603748832751821, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 1.693269457393049"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.693269457393049""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.693269457393049 +""", +) + +entry( + index = 2682, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Sp-12R!H=11R!H", + kinetics = ArrheniusBM(A=(0.145556,'m^3/(mol*s)'), n=1.85575, w0=(301000,'J/mol'), E0=(69901.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.013107273530562175, var=0.4192136754040096, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Sp-12R!H=11R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Sp-12R!H=11R!H + Total Standard Deviation in ln(k): 1.3309329010633049"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Sp-12R!H=11R!H +Total Standard Deviation in ln(k): 1.3309329010633049""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Sp-12R!H=11R!H +Total Standard Deviation in ln(k): 1.3309329010633049 +""", +) + +entry( + index = 2683, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_N-Sp-12R!H=11R!H", + kinetics = ArrheniusBM(A=(0.00422852,'m^3/(mol*s)'), n=2.34375, w0=(301000,'J/mol'), E0=(66846.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.004277859205470547, var=0.5156680810690152, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_N-Sp-12R!H=11R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_N-Sp-12R!H=11R!H + Total Standard Deviation in ln(k): 1.450349306586777"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_N-Sp-12R!H=11R!H +Total Standard Deviation in ln(k): 1.450349306586777""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_N-Sp-12R!H=11R!H +Total Standard Deviation in ln(k): 1.450349306586777 +""", +) + +entry( + index = 2684, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.00224,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(50253,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2685, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00106,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(44544.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2686, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00112,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(40299.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2687, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-11R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.00178,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(50898.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-11R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-11R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-11R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-11R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2688, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-11R!H-2R!H_Ext-8R!H-R_Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000843,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(45198,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-11R!H-2R!H_Ext-8R!H-R_Sp-12R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-11R!H-2R!H_Ext-8R!H-R_Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-11R!H-2R!H_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-11R!H-2R!H_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2689, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-11R!H-2R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00089,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(40880.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-11R!H-2R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-11R!H-2R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-11R!H-2R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-11R!H-2R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2690, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_N-Sp-11R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.00192,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(56459.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_N-Sp-11R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_N-Sp-11R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_N-Sp-11R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_N-Sp-11R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2691, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_N-Sp-11R!H-2R!H_Ext-8R!H-R_Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000907,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(58057.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_N-Sp-11R!H-2R!H_Ext-8R!H-R_Sp-12R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_N-Sp-11R!H-2R!H_Ext-8R!H-R_Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_N-Sp-11R!H-2R!H_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_N-Sp-11R!H-2R!H_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2692, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_N-Sp-11R!H-2R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000957,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(53750.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_N-Sp-11R!H-2R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_N-Sp-11R!H-2R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_N-Sp-11R!H-2R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_N-Sp-11R!H-2R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2693, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.0289688,'m^3/(mol*s)'), n=2.15494, w0=(301000,'J/mol'), E0=(77490.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0052591987918044715, var=0.14599672126705224, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 0.779213663629635"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.779213663629635""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.779213663629635 +""", +) + +entry( + index = 2694, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.00192,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(70441.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2695, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R_Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000905,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(69639.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R_Sp-12R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R_Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2696, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R_N-Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000956,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(66477.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R_N-Sp-12R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R_N-Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2697, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R", + kinetics = ArrheniusBM(A=(0.619693,'m^3/(mol*s)'), n=1.96751, w0=(301000,'J/mol'), E0=(89462,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.013663347837979086, var=0.6076803535012326, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R + Total Standard Deviation in ln(k): 1.5970982983577413"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R +Total Standard Deviation in ln(k): 1.5970982983577413""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R +Total Standard Deviation in ln(k): 1.5970982983577413 +""", +) + +entry( + index = 2698, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.00576043,'m^3/(mol*s)'), n=2.42748, w0=(301000,'J/mol'), E0=(66819,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.00326565884120391, var=0.09650375208459826, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 0.6309771882228202"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.6309771882228202""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.6309771882228202 +""", +) + +entry( + index = 2699, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.00296,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(69242.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2700, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.00346,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(68723.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2701, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.112262,'m^3/(mol*s)'), n=2.00731, w0=(301000,'J/mol'), E0=(69148.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.004696166152400253, var=0.28112493069051786, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.074734320642809"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.074734320642809""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.074734320642809 +""", +) + +entry( + index = 2702, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.00339131,'m^3/(mol*s)'), n=2.49179, w0=(301000,'J/mol'), E0=(66917.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.003945349863523852, var=0.2504038921637273, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.013089848074479"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.013089848074479""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.013089848074479 +""", +) + +entry( + index = 2703, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R", + kinetics = ArrheniusBM(A=(0.00443006,'m^3/(mol*s)'), n=2.61864, w0=(301000,'J/mol'), E0=(85127,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03580524203828755, var=0.775442617938475, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R + Total Standard Deviation in ln(k): 1.8553169864929175"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R +Total Standard Deviation in ln(k): 1.8553169864929175""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R +Total Standard Deviation in ln(k): 1.8553169864929175 +""", +) + +entry( + index = 2704, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.000427107,'m^3/(mol*s)'), n=2.7627, w0=(301000,'J/mol'), E0=(65561.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.016888742804458075, var=0.506730589460161, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.4695049270891871"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.4695049270891871""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.4695049270891871 +""", +) + +entry( + index = 2705, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.00476,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(69604.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2706, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.00557,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(69133.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2707, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00042233,'m^3/(mol*s)'), n=2.7525, w0=(301000,'J/mol'), E0=(61014.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.00011207859951247044, var=1.2643027624603427e-06, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 0.00253575307071664"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 0.00253575307071664""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 0.00253575307071664 +""", +) + +entry( + index = 2708, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.0210571,'m^3/(mol*s)'), n=2.2437, w0=(301000,'J/mol'), E0=(74257.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-6.349442312992555e-05, var=0.31091715156583494, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 1.1179987191315073"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 1.1179987191315073""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 1.1179987191315073 +""", +) + +entry( + index = 2709, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.00218899,'m^3/(mol*s)'), n=2.58236, w0=(289500,'J/mol'), E0=(80999.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.003341255110860417, var=7.326126262786142, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 5.434575022757789"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 5.434575022757789""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 5.434575022757789 +""", +) + +entry( + index = 2710, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.0141217,'m^3/(mol*s)'), n=2.66228, w0=(289500,'J/mol'), E0=(68610.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.001319984807765988, var=7.805494812759689, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 5.6042086831315565"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 5.6042086831315565""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 5.6042086831315565 +""", +) + +entry( + index = 2711, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.000790661,'m^3/(mol*s)'), n=2.64923, w0=(301000,'J/mol'), E0=(51418.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.003440647038913023, var=0.3144741374312511, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.1328600516541312"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.1328600516541312""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.1328600516541312 +""", +) + +entry( + index = 2712, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00447618,'m^3/(mol*s)'), n=2.45007, w0=(301000,'J/mol'), E0=(58325.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.002127994254747755, var=0.8784619180006396, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H + Total Standard Deviation in ln(k): 1.8843107179936263"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 1.8843107179936263""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 1.8843107179936263 +""", +) + +entry( + index = 2713, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H", + kinetics = ArrheniusBM(A=(0.0185174,'m^3/(mol*s)'), n=2.29374, w0=(301000,'J/mol'), E0=(69675.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.009178579164454085, var=7.501626151892187, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H + Total Standard Deviation in ln(k): 5.513850035517366"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 5.513850035517366""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 5.513850035517366 +""", +) + +entry( + index = 2714, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-12R!H-R", + kinetics = ArrheniusBM(A=(0.00517117,'m^3/(mol*s)'), n=2.48036, w0=(301000,'J/mol'), E0=(84715.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04090337222482492, var=0.8145564594374526, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-12R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-12R!H-R + Total Standard Deviation in ln(k): 1.912101463951712"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-12R!H-R +Total Standard Deviation in ln(k): 1.912101463951712""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-12R!H-R +Total Standard Deviation in ln(k): 1.912101463951712 +""", +) + +entry( + index = 2715, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.000780148,'m^3/(mol*s)'), n=2.57053, w0=(301000,'J/mol'), E0=(65435.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.020626594390709567, var=0.5397185079157193, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.5246149975954328"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.5246149975954328""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.5246149975954328 +""", +) + +entry( + index = 2716, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.00163,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(63174.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2717, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.0019,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(64415.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2718, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000570108,'m^3/(mol*s)'), n=2.59963, w0=(301000,'J/mol'), E0=(60487.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=9.479592370603628e-06, var=0.00010944419090044116, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-12R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 0.02099646988983873"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 0.02099646988983873""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 0.02099646988983873 +""", +) + +entry( + index = 2719, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(0.0271507,'m^3/(mol*s)'), n=2.09339, w0=(301000,'J/mol'), E0=(73774.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-5.842437796131107e-05, var=0.31624664467729596, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 1.127525825509758"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 1.127525825509758""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 1.127525825509758 +""", +) + +entry( + index = 2720, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_Sp-11R!H=10R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.00974273,'m^3/(mol*s)'), n=2.29155, w0=(289500,'J/mol'), E0=(83059.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0030019346511221253, var=7.420433163220268, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_Sp-11R!H=10R!H_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_Sp-11R!H=10R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 5.468535529355904"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_Sp-11R!H=10R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 5.468535529355904""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_Sp-11R!H=10R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 5.468535529355904 +""", +) + +entry( + index = 2721, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_N-Sp-11R!H=10R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.0775098,'m^3/(mol*s)'), n=2.34706, w0=(289500,'J/mol'), E0=(70881.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0006310435464961372, var=7.878726764326644, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_N-Sp-11R!H=10R!H_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_N-Sp-11R!H=10R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 5.62869040760774"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_N-Sp-11R!H=10R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 5.62869040760774""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_N-Sp-11R!H=10R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 5.62869040760774 +""", +) + +entry( + index = 2722, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.00164881,'m^3/(mol*s)'), n=2.44441, w0=(301000,'J/mol'), E0=(51085.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.004887428422938113, var=0.3543544863604245, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.205652282506333"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.205652282506333""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.205652282506333 +""", +) + +entry( + index = 2723, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00894393,'m^3/(mol*s)'), n=2.25195, w0=(301000,'J/mol'), E0=(57968,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.002865618174103827, var=0.9120531937376959, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-11R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 1.921751636479748"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 1.921751636479748""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 1.921751636479748 +""", +) + +entry( + index = 2724, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.0560055,'m^3/(mol*s)'), n=2.0417, w0=(301000,'J/mol'), E0=(69930.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.014651287726231182, var=7.763829762512218, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 5.622735880425031"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 5.622735880425031""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 5.622735880425031 +""", +) + +entry( + index = 2725, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(6.19e-05,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(69133.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2726, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R", + kinetics = ArrheniusBM(A=(0.06428,'m^3/(mol*s)'), n=1.82947, w0=(301000,'J/mol'), E0=(88879.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.001930713770021214, var=0.0001438831131258383, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R + Total Standard Deviation in ln(k): 0.0288980949357434"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R +Total Standard Deviation in ln(k): 0.0288980949357434""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R +Total Standard Deviation in ln(k): 0.0288980949357434 +""", +) + +entry( + index = 2727, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(0.00879501,'m^3/(mol*s)'), n=1.95884, w0=(301000,'J/mol'), E0=(71136.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=4.7533880742421054e-07, var=0.010946960953322331, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R + Total Standard Deviation in ln(k): 0.20975206579241143"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 0.20975206579241143""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 0.20975206579241143 +""", +) + +entry( + index = 2728, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.000114,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(63980.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2729, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.000133,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(63122.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2730, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(8.94e-05,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(62948.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2731, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.000116,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(62657.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2732, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(1.17976e-05,'m^3/(mol*s)'), n=2.68982, w0=(301000,'J/mol'), E0=(65977.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.015286173735900844, var=4.080249419164018, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R + Total Standard Deviation in ln(k): 4.087897605888607"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 4.087897605888607""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 4.087897605888607 +""", +) + +entry( + index = 2733, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(5.63e-05,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(69198.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2734, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(7.61e-05,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(60146.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2735, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-1R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(2.36e-05,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(65621.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-1R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-1R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-1R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-1R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2736, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-1R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(3.2e-05,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(55827.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-1R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-1R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-1R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-1R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2737, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R", + kinetics = ArrheniusBM(A=(1.17992e-16,'m^3/(mol*s)'), n=5.98263, w0=(301000,'J/mol'), E0=(27126,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3287537176461956, var=0.42269643512463856, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R + Total Standard Deviation in ln(k): 2.1293950544225693"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R +Total Standard Deviation in ln(k): 2.1293950544225693""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R +Total Standard Deviation in ln(k): 2.1293950544225693 +""", +) + +entry( + index = 2738, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(7.48655e-06,'m^3/(mol*s)'), n=2.81354, w0=(301000,'J/mol'), E0=(55745.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07693396514928894, var=1.1953951206548232, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R + Total Standard Deviation in ln(k): 2.3851610044753624"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 2.3851610044753624""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 2.3851610044753624 +""", +) + +entry( + index = 2739, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(9.46591e-06,'m^3/(mol*s)'), n=2.75028, w0=(301000,'J/mol'), E0=(60931.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0003734247333134813, var=0.10881770884097577, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 0.6622508238654555"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 0.6622508238654555""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 0.6622508238654555 +""", +) + +entry( + index = 2740, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00114835,'m^3/(mol*s)'), n=2.21805, w0=(301000,'J/mol'), E0=(59185,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.00040844313222981345, var=0.12183502695035961, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 0.7007765034680663"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 0.7007765034680663""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 0.7007765034680663 +""", +) + +entry( + index = 2741, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(4.46564e-05,'m^3/(mol*s)'), n=2.53626, w0=(301000,'J/mol'), E0=(63291.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=3.178678216905909e-05, var=0.17933804835237607, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 0.8490515575080585"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 0.8490515575080585""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 0.8490515575080585 +""", +) + +entry( + index = 2742, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00969625,'m^3/(mol*s)'), n=1.93358, w0=(301000,'J/mol'), E0=(61501.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.9289706771813334e-05, var=0.168898622277145, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 0.8239400056816603"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 0.8239400056816603""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 0.8239400056816603 +""", +) + +entry( + index = 2743, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_4R!H-inRing_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(8.13e-05,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(62708.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_4R!H-inRing_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_4R!H-inRing_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2744, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_4R!H-inRing_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.000105,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(61943.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_4R!H-inRing_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_4R!H-inRing_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2745, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-4R!H-inRing_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.00011,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(53929.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-4R!H-inRing_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-4R!H-inRing_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2746, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-4R!H-inRing_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.000142,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(53134.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-4R!H-inRing_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-4R!H-inRing_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2747, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.0136046,'m^3/(mol*s)'), n=1.95044, w0=(301000,'J/mol'), E0=(74006.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.014195951152973457, var=0.15786752040843777, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 0.8322005038744237"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.8322005038744237""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.8322005038744237 +""", +) + +entry( + index = 2748, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(2.76071,'m^3/(mol*s)'), n=1.15986, w0=(301000,'J/mol'), E0=(75548.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.01380623122068272, var=0.1497883401477947, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R + Total Standard Deviation in ln(k): 0.8105715893607837"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.8105715893607837""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.8105715893607837 +""", +) + +entry( + index = 2749, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(1.0126e-06,'m^3/(mol*s)'), n=3.23749, w0=(301000,'J/mol'), E0=(58416.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12767076008700307, var=0.27486609293420555, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 1.3718167614686116"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.3718167614686116""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.3718167614686116 +""", +) + +entry( + index = 2750, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.0394504,'m^3/(mol*s)'), n=1.84422, w0=(301000,'J/mol'), E0=(67228,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.01644421150114733, var=0.37428600830606457, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 1.2677923557959958"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 1.2677923557959958""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 1.2677923557959958 +""", +) + +entry( + index = 2751, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.00147713,'m^3/(mol*s)'), n=2.29527, w0=(301000,'J/mol'), E0=(63593.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.009827738495418414, var=0.30206070460224865, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 1.1264962020779399"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 1.1264962020779399""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 1.1264962020779399 +""", +) + +entry( + index = 2752, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.000422,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(48927.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2753, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000199,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(42648.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2754, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00021,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(39231.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2755, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.000335,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(49705,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2756, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000158,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(45258.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2757, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000167,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(41897.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2758, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.00036,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(56462.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2759, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00017,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(56016.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2760, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00018,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(52389.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2761, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(1.36313e-05,'m^3/(mol*s)'), n=2.78424, w0=(301000,'J/mol'), E0=(58759.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08102623956049457, var=0.8388641734787398, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 2.0397109219737133"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.0397109219737133""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.0397109219737133 +""", +) + +entry( + index = 2762, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00563414,'m^3/(mol*s)'), n=1.86948, w0=(301000,'J/mol'), E0=(66680.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03711625726950394, var=0.2976591099326514, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_4R!H-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_4R!H-inRing + Total Standard Deviation in ln(k): 1.1870031823085305"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_4R!H-inRing +Total Standard Deviation in ln(k): 1.1870031823085305""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_4R!H-inRing +Total Standard Deviation in ln(k): 1.1870031823085305 +""", +) + +entry( + index = 2763, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(2.98321,'m^3/(mol*s)'), n=1.15422, w0=(301000,'J/mol'), E0=(65460.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.024596763242044944, var=0.31696230352941873, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_N-4R!H-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_N-4R!H-inRing + Total Standard Deviation in ln(k): 1.1904548387543414"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_N-4R!H-inRing +Total Standard Deviation in ln(k): 1.1904548387543414""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_N-4R!H-inRing +Total Standard Deviation in ln(k): 1.1904548387543414 +""", +) + +entry( + index = 2764, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(1.0208e-12,'m^3/(mol*s)'), n=4.9149, w0=(301000,'J/mol'), E0=(31354.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.25313964410456885, var=0.48442922190858745, Tref=1000.0, N=24, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 24 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 2.031343912251744"""), + rank = 11, + shortDesc = """BM rule fitted to 24 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.031343912251744""", + longDesc = +""" +BM rule fitted to 24 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.031343912251744 +""", +) + +entry( + index = 2765, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing", + kinetics = ArrheniusBM(A=(6.09127e-05,'m^3/(mol*s)'), n=2.613, w0=(301000,'J/mol'), E0=(56051.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03318817715725222, var=0.2212231788608953, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing + Total Standard Deviation in ln(k): 1.0263018568112414"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing +Total Standard Deviation in ln(k): 1.0263018568112414""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing +Total Standard Deviation in ln(k): 1.0263018568112414 +""", +) + +entry( + index = 2766, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0136547,'m^3/(mol*s)'), n=2.00722, w0=(301000,'J/mol'), E0=(54600.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.020503192709841318, var=0.23478908339056076, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing + Total Standard Deviation in ln(k): 1.0229107292552329"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing +Total Standard Deviation in ln(k): 1.0229107292552329""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing +Total Standard Deviation in ln(k): 1.0229107292552329 +""", +) + +entry( + index = 2767, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.000623895,'m^3/(mol*s)'), n=2.31363, w0=(301000,'J/mol'), E0=(47657.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.034150903536728006, var=0.11251732374140386, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R + Total Standard Deviation in ln(k): 0.7582666464899791"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.7582666464899791""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.7582666464899791 +""", +) + +entry( + index = 2768, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(1.24654,'m^3/(mol*s)'), n=1.44052, w0=(301000,'J/mol'), E0=(46385.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.013713642519789461, var=0.16126310005671862, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R + Total Standard Deviation in ln(k): 0.8395094231013639"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.8395094231013639""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.8395094231013639 +""", +) + +entry( + index = 2769, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.00287191,'m^3/(mol*s)'), n=2.1032, w0=(301000,'J/mol'), E0=(52197.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03826939506129554, var=0.09883720673533448, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 0.7264105958930659"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.7264105958930659""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.7264105958930659 +""", +) + +entry( + index = 2770, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.000315781,'m^3/(mol*s)'), n=2.45439, w0=(301000,'J/mol'), E0=(62084.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03138728803216321, var=0.28045672962813695, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.1405334534644165"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.1405334534644165""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.1405334534644165 +""", +) + +entry( + index = 2771, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(4.2032,'m^3/(mol*s)'), n=1.26913, w0=(301000,'J/mol'), E0=(50703.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.02275725210020325, var=0.11699738337109569, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 0.7428962581625178"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.7428962581625178""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.7428962581625178 +""", +) + +entry( + index = 2772, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.193667,'m^3/(mol*s)'), n=1.73241, w0=(301000,'J/mol'), E0=(60400.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.01734614020307502, var=0.2832803183901493, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.1105851608908002"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.1105851608908002""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.1105851608908002 +""", +) + +entry( + index = 2773, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000245,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(63504.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2774, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000271,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(65663.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2775, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(1.42942e-08,'m^3/(mol*s)'), n=3.78852, w0=(301000,'J/mol'), E0=(53580,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.14441102305920983, var=0.206717159650458, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 1.2743178003930764"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.2743178003930764""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.2743178003930764 +""", +) + +entry( + index = 2776, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(1.99638e-07,'m^3/(mol*s)'), n=3.40064, w0=(301000,'J/mol'), E0=(53540,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10600744328773795, var=0.5660032014630432, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.7745763948176616"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.7745763948176616""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.7745763948176616 +""", +) + +entry( + index = 2777, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.000269,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(59374.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2778, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.000349,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(59437.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2779, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.00118176,'m^3/(mol*s)'), n=2.39706, w0=(289500,'J/mol'), E0=(79037.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.13951956453573955, var=2.784851045029959, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 3.6960281021358417"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 3.6960281021358417""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 3.6960281021358417 +""", +) + +entry( + index = 2780, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.00816352,'m^3/(mol*s)'), n=2.47306, w0=(289500,'J/mol'), E0=(68653.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03422122203407286, var=2.300652939213689, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 3.1267457720281717"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 3.1267457720281717""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 3.1267457720281717 +""", +) + +entry( + index = 2781, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.00224244,'m^3/(mol*s)'), n=2.23673, w0=(301000,'J/mol'), E0=(53992.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.003761604388225203, var=0.12406265023152933, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 0.7155696479854727"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.7155696479854727""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.7155696479854727 +""", +) + +entry( + index = 2782, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(2.69436e-05,'m^3/(mol*s)'), n=2.80947, w0=(301000,'J/mol'), E0=(58058.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.05362294385799867, var=1.692127275062205, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 2.742526339086636"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.742526339086636""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.742526339086636 +""", +) + +entry( + index = 2783, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Sp-9R!H-2R!H", + kinetics = ArrheniusBM(A=(0.00024,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(52507.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Sp-9R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Sp-9R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2784, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_N-Sp-9R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000258,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(59799.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_N-Sp-9R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_N-Sp-9R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_N-Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_N-Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2785, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.00136,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(94002.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_Ext-2R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2786, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-10R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00233,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(72287,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-10R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-10R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2787, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00646,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(64753.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2788, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(3.98064e-08,'m^3/(mol*s)'), n=3.54038, w0=(301000,'J/mol'), E0=(49728,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.023114763685694612, var=3.495200954492667, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 3.8060210481834598"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 3.8060210481834598""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 3.8060210481834598 +""", +) + +entry( + index = 2789, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(2.79335e-17,'m^3/(mol*s)'), n=6.12315, w0=(301000,'J/mol'), E0=(9429.75,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.025258105464747924, var=3.1925269319471035, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 3.645451794245136"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 3.645451794245136""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 3.645451794245136 +""", +) + +entry( + index = 2790, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_4R!H-inRing_Sp-10R!H=8R!H", + kinetics = ArrheniusBM(A=(9.37e-05,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(58356.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_4R!H-inRing_Sp-10R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_4R!H-inRing_Sp-10R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_4R!H-inRing_Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_4R!H-inRing_Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2791, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_4R!H-inRing_N-Sp-10R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000103,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(60933.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_4R!H-inRing_N-Sp-10R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_4R!H-inRing_N-Sp-10R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_4R!H-inRing_N-Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_4R!H-inRing_N-Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2792, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_N-4R!H-inRing_Sp-10R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000127,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(49138.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_N-4R!H-inRing_Sp-10R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_N-4R!H-inRing_Sp-10R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_N-4R!H-inRing_Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_N-4R!H-inRing_Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2793, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_N-4R!H-inRing_N-Sp-10R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00014,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(52120.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_N-4R!H-inRing_N-Sp-10R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_N-4R!H-inRing_N-Sp-10R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_N-4R!H-inRing_N-Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_N-4R!H-inRing_N-Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2794, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(5.38237e-10,'m^3/(mol*s)'), n=4.16852, w0=(301000,'J/mol'), E0=(38437.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.18737869035676552, var=0.42980409723219265, Tref=1000.0, N=18, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R',), comment="""BM rule fitted to 18 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 1.7850939419572949"""), + rank = 11, + shortDesc = """BM rule fitted to 18 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.7850939419572949""", + longDesc = +""" +BM rule fitted to 18 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.7850939419572949 +""", +) + +entry( + index = 2795, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(9.54196e-15,'m^3/(mol*s)'), n=5.45418, w0=(301000,'J/mol'), E0=(9548.57,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.35820821858002194, var=0.2115609025547348, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.8221135856902038"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.8221135856902038""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.8221135856902038 +""", +) + +entry( + index = 2796, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(3.11888e-05,'m^3/(mol*s)'), n=2.71631, w0=(301000,'J/mol'), E0=(56818.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-5.466574449725851e-07, var=0.13599013591977027, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_4R!H-inRing + Total Standard Deviation in ln(k): 0.7392843288008686"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_4R!H-inRing +Total Standard Deviation in ln(k): 0.7392843288008686""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_4R!H-inRing +Total Standard Deviation in ln(k): 0.7392843288008686 +""", +) + +entry( + index = 2797, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00282474,'m^3/(mol*s)'), n=2.21999, w0=(301000,'J/mol'), E0=(54982.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-6.560027647132381e-06, var=0.13105873688282826, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_N-4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 0.7257713853537069"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 0.7257713853537069""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 0.7257713853537069 +""", +) + +entry( + index = 2798, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(2.90585e-18,'m^3/(mol*s)'), n=6.50842, w0=(289500,'J/mol'), E0=(3839.76,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.388349830448123, var=0.6236682563805755, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 2.558946154405751"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 2.558946154405751""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 2.558946154405751 +""", +) + +entry( + index = 2799, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(3.51665e-16,'m^3/(mol*s)'), n=6.23346, w0=(289500,'J/mol'), E0=(-8189.65,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1713781783414552, var=1.3845988063735009, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 2.789549687976252"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 2.789549687976252""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 2.789549687976252 +""", +) + +entry( + index = 2800, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(1.30491e-05,'m^3/(mol*s)'), n=2.85543, w0=(301000,'J/mol'), E0=(41499.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.053128739858413175, var=1.0848207744188607, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 2.221515699623264"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.221515699623264""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.221515699623264 +""", +) + +entry( + index = 2801, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(4.46962e-21,'m^3/(mol*s)'), n=7.26605, w0=(301000,'J/mol'), E0=(-2367.82,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.23244770205558293, var=1.040123528299173, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 2.6285975208808927"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.6285975208808927""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.6285975208808927 +""", +) + +entry( + index = 2802, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000105532,'m^3/(mol*s)'), n=2.53411, w0=(301000,'J/mol'), E0=(57196.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.003947696916199528, var=1.138828587792436, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_4R!H-inRing + Total Standard Deviation in ln(k): 2.1492901578673043"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_4R!H-inRing +Total Standard Deviation in ln(k): 2.1492901578673043""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_4R!H-inRing +Total Standard Deviation in ln(k): 2.1492901578673043 +""", +) + +entry( + index = 2803, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0716615,'m^3/(mol*s)'), n=1.7914, w0=(301000,'J/mol'), E0=(55899.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0016814904585478584, var=1.2833937270242604, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_N-4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 2.2753284494251043"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 2.2753284494251043""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 2.2753284494251043 +""", +) + +entry( + index = 2804, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(4.86196e-18,'m^3/(mol*s)'), n=6.54167, w0=(301000,'J/mol'), E0=(11457.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=2.4865106981393947, var=3.8798168411874356, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_Ext-2R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 10.196291252394595"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 10.196291252394595""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 10.196291252394595 +""", +) + +entry( + index = 2805, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000861,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2806, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00116,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(84852.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2807, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-10R!H=8R!H", + kinetics = ArrheniusBM(A=(0.289113,'m^3/(mol*s)'), n=1.82344, w0=(289500,'J/mol'), E0=(72831.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.013594190870401559, var=4.139238825310715, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-10R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-10R!H=8R!H + Total Standard Deviation in ln(k): 4.1128137056812175"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 4.1128137056812175""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 4.1128137056812175 +""", +) + +entry( + index = 2808, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H", + kinetics = ArrheniusBM(A=(0.068032,'m^3/(mol*s)'), n=2.11678, w0=(289500,'J/mol'), E0=(61764,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.011074075112299185, var=4.544987804432468, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H + Total Standard Deviation in ln(k): 4.301714410482041"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 4.301714410482041""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 4.301714410482041 +""", +) + +entry( + index = 2809, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-9R!H=8R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000255,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(48945.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-9R!H=8R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-9R!H=8R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-9R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-9R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2810, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-9R!H=8R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000344,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(38179.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-9R!H=8R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-9R!H=8R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-9R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-9R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2811, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000281,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(52069.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2812, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00038,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(41987.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2813, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(0.000479,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(80003.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2814, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R", + kinetics = ArrheniusBM(A=(0.0124997,'m^3/(mol*s)'), n=2.27879, w0=(301000,'J/mol'), E0=(93232.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0005260226217820864, var=0.046755040224347295, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R + Total Standard Deviation in ln(k): 0.4348038030648323"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 0.4348038030648323""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 0.4348038030648323 +""", +) + +entry( + index = 2815, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(0.000424614,'m^3/(mol*s)'), n=2.57788, w0=(301000,'J/mol'), E0=(75222.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=5.508156641481205e-07, var=0.008832053524002733, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R + Total Standard Deviation in ln(k): 0.1884043933485415"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 0.1884043933485415""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 0.1884043933485415 +""", +) + +entry( + index = 2816, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000881,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(73089.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2817, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00103,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(73614,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2818, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000691,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(73728.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2819, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000896,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(73415.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2820, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(8.4582e-06,'m^3/(mol*s)'), n=2.93043, w0=(301000,'J/mol'), E0=(75365.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.000727284318549861, var=0.2766183185920556, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R + Total Standard Deviation in ln(k): 1.0562080724169403"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 1.0562080724169403""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 1.0562080724169403 +""", +) + +entry( + index = 2821, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-2R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000352,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(75340,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-2R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-2R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2822, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-2R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000298,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(77058.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-2R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-2R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2823, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-1R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000148,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(72025.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-1R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-1R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-1R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-1R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2824, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-1R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000125,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(73875.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-1R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-1R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-1R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-1R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2825, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-12R!H-R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(4.0135e-18,'m^3/(mol*s)'), n=6.5806, w0=(301000,'J/mol'), E0=(15344.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0009211301758234081, var=0.2124819863913744, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-12R!H-R_Ext-1R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-12R!H-R_Ext-1R!H-R + Total Standard Deviation in ln(k): 0.9264124356330636"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-12R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 0.9264124356330636""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-12R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 0.9264124356330636 +""", +) + +entry( + index = 2826, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-12R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00176,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-12R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-12R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-12R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-12R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2827, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-12R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00149,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-12R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-12R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-12R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-12R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2828, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(4.64348e-05,'m^3/(mol*s)'), n=2.77367, w0=(301000,'J/mol'), E0=(65174.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=8.759503341358647e-07, var=0.00878472833426002, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 0.18789976811638018"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 0.18789976811638018""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 0.18789976811638018 +""", +) + +entry( + index = 2829, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(1.58502e-05,'m^3/(mol*s)'), n=2.93143, w0=(301000,'J/mol'), E0=(68391.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=9.042482688097329e-07, var=0.008973840042043362, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 0.18991153631159718"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 0.18991153631159718""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 0.18991153631159718 +""", +) + +entry( + index = 2830, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_4R!H-inRing_Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000577,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(65947.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_4R!H-inRing_Sp-11R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_4R!H-inRing_Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_4R!H-inRing_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_4R!H-inRing_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2831, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_4R!H-inRing_N-Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000674,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(66521.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_4R!H-inRing_N-Sp-11R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_4R!H-inRing_N-Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_4R!H-inRing_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_4R!H-inRing_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2832, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000489,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(67611.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-11R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2833, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_N-4R!H-inRing_N-Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000572,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(68194.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_N-4R!H-inRing_N-Sp-11R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_N-4R!H-inRing_N-Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_N-4R!H-inRing_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_N-4R!H-inRing_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2834, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-1R!H-R_Sp-11R!H=8R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000453,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(67251,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-1R!H-R_Sp-11R!H=8R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-1R!H-R_Sp-11R!H=8R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-1R!H-R_Sp-11R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-1R!H-R_Sp-11R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2835, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-1R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000384,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(68982.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-1R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-1R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-1R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-1R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2836, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-1R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000587,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(66895.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-1R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-1R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-1R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-1R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2837, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-1R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000497,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(68663.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-1R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-1R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-1R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-1R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2838, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_N-1R!H-inRing_Sp-11R!H=8R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000508,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(67582.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_N-1R!H-inRing_Sp-11R!H=8R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_N-1R!H-inRing_Sp-11R!H=8R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_N-1R!H-inRing_Sp-11R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_N-1R!H-inRing_Sp-11R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2839, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_N-1R!H-inRing_Sp-11R!H=8R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000431,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(69262.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_N-1R!H-inRing_Sp-11R!H=8R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_N-1R!H-inRing_Sp-11R!H=8R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_N-1R!H-inRing_Sp-11R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_N-1R!H-inRing_Sp-11R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2840, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_N-1R!H-inRing_N-Sp-11R!H=8R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000659,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(68057,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_N-1R!H-inRing_N-Sp-11R!H=8R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_N-1R!H-inRing_N-Sp-11R!H=8R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_N-1R!H-inRing_N-Sp-11R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_N-1R!H-inRing_N-Sp-11R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2841, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_N-1R!H-inRing_N-Sp-11R!H=8R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000558,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(69674.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_N-1R!H-inRing_N-Sp-11R!H=8R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_N-1R!H-inRing_N-Sp-11R!H=8R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_N-1R!H-inRing_N-Sp-11R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_N-1R!H-inRing_N-Sp-11R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2842, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-8R!H-2R!H_Ext-2R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000507,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(58733.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-8R!H-2R!H_Ext-2R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-8R!H-2R!H_Ext-2R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-8R!H-2R!H_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-8R!H-2R!H_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2843, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-8R!H-2R!H_Ext-2R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00043,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(60792,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-8R!H-2R!H_Ext-2R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-8R!H-2R!H_Ext-2R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-8R!H-2R!H_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-8R!H-2R!H_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2844, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-Sp-8R!H-2R!H_4R!H-inRing_1R!H-inRing", + kinetics = ArrheniusBM(A=(2.89968e-08,'m^3/(mol*s)'), n=3.67504, w0=(259000,'J/mol'), E0=(43284.6,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-Sp-8R!H-2R!H_4R!H-inRing_1R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-Sp-8R!H-2R!H_4R!H-inRing_1R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-Sp-8R!H-2R!H_4R!H-inRing_1R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-Sp-8R!H-2R!H_4R!H-inRing_1R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2845, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-Sp-8R!H-2R!H_4R!H-inRing_N-1R!H-inRing", + kinetics = ArrheniusBM(A=(0.000434,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(68985.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-Sp-8R!H-2R!H_4R!H-inRing_N-1R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-Sp-8R!H-2R!H_4R!H-inRing_N-1R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-Sp-8R!H-2R!H_4R!H-inRing_N-1R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-Sp-8R!H-2R!H_4R!H-inRing_N-1R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2846, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H_Ext-2R!H-R_1R!H-inRing", + kinetics = ArrheniusBM(A=(4.9843e-06,'m^3/(mol*s)'), n=3.05153, w0=(259000,'J/mol'), E0=(44779.3,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H_Ext-2R!H-R_1R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H_Ext-2R!H-R_1R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H_Ext-2R!H-R_1R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H_Ext-2R!H-R_1R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2847, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H_Ext-2R!H-R_N-1R!H-inRing", + kinetics = ArrheniusBM(A=(4.66489e-06,'m^3/(mol*s)'), n=3.03111, w0=(301000,'J/mol'), E0=(58978.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0006379611817569725, var=0.3123344291416778, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H_Ext-2R!H-R_N-1R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H_Ext-2R!H-R_N-1R!H-inRing + Total Standard Deviation in ln(k): 1.1219869723122342"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H_Ext-2R!H-R_N-1R!H-inRing +Total Standard Deviation in ln(k): 1.1219869723122342""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H_Ext-2R!H-R_N-1R!H-inRing +Total Standard Deviation in ln(k): 1.1219869723122342 +""", +) + +entry( + index = 2848, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.000532616,'m^3/(mol*s)'), n=2.59484, w0=(301000,'J/mol'), E0=(78181.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.013221475885660484, var=0.23828177319563118, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 1.0118134560388024"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.0118134560388024""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.0118134560388024 +""", +) + +entry( + index = 2849, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.0911149,'m^3/(mol*s)'), n=1.82783, w0=(301000,'J/mol'), E0=(79499.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.009255755803942192, var=0.14998235198481677, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R + Total Standard Deviation in ln(k): 0.7996405484752503"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.7996405484752503""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.7996405484752503 +""", +) + +entry( + index = 2850, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(8.03689e-07,'m^3/(mol*s)'), n=3.50954, w0=(301000,'J/mol'), E0=(65196.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10148040826625881, var=0.23449722722191157, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 1.2257671324190862"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.2257671324190862""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.2257671324190862 +""", +) + +entry( + index = 2851, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.00149984,'m^3/(mol*s)'), n=2.49084, w0=(301000,'J/mol'), E0=(70782.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.013307628069819985, var=0.35667713942410617, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 1.230713216122472"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 1.230713216122472""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 1.230713216122472 +""", +) + +entry( + index = 2852, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(5.55377e-05,'m^3/(mol*s)'), n=2.94462, w0=(301000,'J/mol'), E0=(67507.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.01275907510752991, var=0.40071981620807806, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 1.3011040787609616"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 1.3011040787609616""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 1.3011040787609616 +""", +) + +entry( + index = 2853, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.00326,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(60709.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2854, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00154,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(56661.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2855, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00163,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(53579,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2856, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.00259,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(61591.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2857, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00122,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(57471.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2858, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00129,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(54413.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2859, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.00279,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(66535.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2860, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00132,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(67659.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2861, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00139,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(64263.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2862, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(2.07617e-05,'m^3/(mol*s)'), n=2.93013, w0=(301000,'J/mol'), E0=(69045.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.024095691259545582, var=0.1880373845865434, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 0.9298607749746329"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.9298607749746329""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.9298607749746329 +""", +) + +entry( + index = 2863, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.0028947,'m^3/(mol*s)'), n=2.19301, w0=(301000,'J/mol'), E0=(70771.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.01608951806016402, var=0.14184425927732536, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R + Total Standard Deviation in ln(k): 0.7954536008073114"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.7954536008073114""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.7954536008073114 +""", +) + +entry( + index = 2864, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000276,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(68750.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2865, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000234,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(70513.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2866, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(1.99877e-07,'m^3/(mol*s)'), n=3.61059, w0=(301000,'J/mol'), E0=(56565.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09277810036691868, var=0.1626324241117926, Tref=1000.0, N=24, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 24 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 1.0415745649719594"""), + rank = 11, + shortDesc = """BM rule fitted to 24 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.0415745649719594""", + longDesc = +""" +BM rule fitted to 24 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.0415745649719594 +""", +) + +entry( + index = 2867, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(4.63635e-05,'m^3/(mol*s)'), n=2.85558, w0=(301000,'J/mol'), E0=(61185.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.027163776617188638, var=0.2546842824066987, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 1.07996539741466"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 1.07996539741466""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 1.07996539741466 +""", +) + +entry( + index = 2868, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(2.07889e-06,'m^3/(mol*s)'), n=3.28268, w0=(301000,'J/mol'), E0=(57715.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03115958594138221, var=0.2679377545567289, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 1.1159955049407946"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 1.1159955049407946""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 1.1159955049407946 +""", +) + +entry( + index = 2869, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.00107945,'m^3/(mol*s)'), n=2.5168, w0=(301000,'J/mol'), E0=(57692.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0005640168835113328, var=0.3243975170273176, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.1432321438688748"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.1432321438688748""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.1432321438688748 +""", +) + +entry( + index = 2870, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H", + kinetics = ArrheniusBM(A=(9.0745e-06,'m^3/(mol*s)'), n=3.03264, w0=(301000,'J/mol'), E0=(50024.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0004440989487770654, var=0.3379120205947975, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H + Total Standard Deviation in ln(k): 1.1664723457594464"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 1.1664723457594464""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 1.1664723457594464 +""", +) + +entry( + index = 2871, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H", + kinetics = ArrheniusBM(A=(0.000133677,'m^3/(mol*s)'), n=2.74676, w0=(301000,'J/mol'), E0=(52666.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.00038237763834751947, var=0.3606522021431754, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H + Total Standard Deviation in ln(k): 1.2048908783237713"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 1.2048908783237713""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 1.2048908783237713 +""", +) + +entry( + index = 2872, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.00406794,'m^3/(mol*s)'), n=2.33183, w0=(301000,'J/mol'), E0=(60981.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0005064219825173435, var=0.3257307357177849, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.1454313601256112"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.1454313601256112""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.1454313601256112 +""", +) + +entry( + index = 2873, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H", + kinetics = ArrheniusBM(A=(3.45178e-05,'m^3/(mol*s)'), n=2.84662, w0=(301000,'J/mol'), E0=(53318.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0004016383938015603, var=0.34809521548132294, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H + Total Standard Deviation in ln(k): 1.183794708774678"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 1.183794708774678""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 1.183794708774678 +""", +) + +entry( + index = 2874, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H", + kinetics = ArrheniusBM(A=(0.000532955,'m^3/(mol*s)'), n=2.5551, w0=(301000,'J/mol'), E0=(56011.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0003197800633657305, var=0.34927706587901164, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H + Total Standard Deviation in ln(k): 1.1855952257378974"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 1.1855952257378974""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 1.1855952257378974 +""", +) + +entry( + index = 2875, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.000331078,'m^3/(mol*s)'), n=2.72659, w0=(301000,'J/mol'), E0=(67075.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.00048149407126770746, var=0.31537653617142464, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.1270368334086398"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.1270368334086398""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.1270368334086398 +""", +) + +entry( + index = 2876, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H", + kinetics = ArrheniusBM(A=(3.21978e-06,'m^3/(mol*s)'), n=3.21447, w0=(301000,'J/mol'), E0=(63817.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0005240295168276326, var=0.32522006405687653, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H + Total Standard Deviation in ln(k): 1.1445783579432809"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 1.1445783579432809""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 1.1445783579432809 +""", +) + +entry( + index = 2877, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H", + kinetics = ArrheniusBM(A=(0.000128586,'m^3/(mol*s)'), n=2.79776, w0=(301000,'J/mol'), E0=(66901.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0004814218957619561, var=0.33478959528357277, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H + Total Standard Deviation in ln(k): 1.1611694753416133"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 1.1611694753416133""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 1.1611694753416133 +""", +) + +entry( + index = 2878, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.00046127,'m^3/(mol*s)'), n=2.68072, w0=(301000,'J/mol'), E0=(72906.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.00209608783813152, var=0.74620137577004, Tref=1000.0, N=21, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R',), comment="""BM rule fitted to 21 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.737015817895672"""), + rank = 11, + shortDesc = """BM rule fitted to 21 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.737015817895672""", + longDesc = +""" +BM rule fitted to 21 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.737015817895672 +""", +) + +entry( + index = 2879, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H", + kinetics = ArrheniusBM(A=(8.42983e-06,'m^3/(mol*s)'), n=3.17772, w0=(301000,'J/mol'), E0=(61626.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.036729990228746554, var=0.6946894022676708, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H + Total Standard Deviation in ln(k): 1.763193591450788"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H +Total Standard Deviation in ln(k): 1.763193591450788""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H +Total Standard Deviation in ln(k): 1.763193591450788 +""", +) + +entry( + index = 2880, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_N-Sp-7R!H-1R!H", + kinetics = ArrheniusBM(A=(1.01908e-23,'m^3/(mol*s)'), n=8.41528, w0=(301000,'J/mol'), E0=(15638.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=6.209726847357233, var=0.4441598783219759, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_N-Sp-7R!H-1R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_N-Sp-7R!H-1R!H + Total Standard Deviation in ln(k): 16.93839088552575"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_N-Sp-7R!H-1R!H +Total Standard Deviation in ln(k): 16.93839088552575""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_N-Sp-7R!H-1R!H +Total Standard Deviation in ln(k): 16.93839088552575 +""", +) + +entry( + index = 2881, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Sp-7R!H-1R!H_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(6.08612e-05,'m^3/(mol*s)'), n=2.95367, w0=(301000,'J/mol'), E0=(63016,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0016285829243712505, var=0.18415410029459503, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Sp-7R!H-1R!H_Ext-7R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Sp-7R!H-1R!H_Ext-7R!H-R + Total Standard Deviation in ln(k): 0.8643874857315367"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Sp-7R!H-1R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.8643874857315367""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Sp-7R!H-1R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.8643874857315367 +""", +) + +entry( + index = 2882, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(2.7456e-06,'m^3/(mol*s)'), n=3.2149, w0=(301000,'J/mol'), E0=(65643.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.016059355488981974, var=0.1517200538822536, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 0.8212196816783464"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.8212196816783464""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.8212196816783464 +""", +) + +entry( + index = 2883, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(3.4509e-05,'m^3/(mol*s)'), n=2.7838, w0=(301000,'J/mol'), E0=(64964.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.030865210292891257, var=0.08952514001542267, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R + Total Standard Deviation in ln(k): 0.6773825903639084"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.6773825903639084""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.6773825903639084 +""", +) + +entry( + index = 2884, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000445,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(69453.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2885, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000377,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(71138.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2886, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(1.40132e-06,'m^3/(mol*s)'), n=3.39733, w0=(301000,'J/mol'), E0=(57724,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.05859247195321609, var=0.1066852535486039, Tref=1000.0, N=18, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 18 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 0.8020180434811043"""), + rank = 11, + shortDesc = """BM rule fitted to 18 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.8020180434811043""", + longDesc = +""" +BM rule fitted to 18 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.8020180434811043 +""", +) + +entry( + index = 2887, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(1.37714e-09,'m^3/(mol*s)'), n=4.19896, w0=(301000,'J/mol'), E0=(45689.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1312107982256316, var=0.16705924562311547, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R + Total Standard Deviation in ln(k): 1.149068368460777"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.149068368460777""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.149068368460777 +""", +) + +entry( + index = 2888, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(2.78794e-05,'m^3/(mol*s)'), n=2.94118, w0=(301000,'J/mol'), E0=(62035.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0011243527013224954, var=0.23465363699698463, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-9R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 0.973939944204665"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 0.973939944204665""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 0.973939944204665 +""", +) + +entry( + index = 2889, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(4.39834e-06,'m^3/(mol*s)'), n=3.2073, w0=(301000,'J/mol'), E0=(59373.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0011064810537407886, var=0.22175007711118983, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 0.9468168055102466"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 0.9468168055102466""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 0.9468168055102466 +""", +) + +entry( + index = 2890, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(1.59399e-06,'m^3/(mol*s)'), n=3.32485, w0=(301000,'J/mol'), E0=(48887.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.013112910193128645, var=0.09917333510315361, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 0.6642741346497572"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.6642741346497572""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.6642741346497572 +""", +) + +entry( + index = 2891, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00153,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(56231.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2892, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00129,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(58139.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2893, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H", + kinetics = ArrheniusBM(A=(3.05265e-06,'m^3/(mol*s)'), n=3.25044, w0=(301000,'J/mol'), E0=(54833.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.01791977042530248, var=0.28762678973182837, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H + Total Standard Deviation in ln(k): 1.1201809784655499"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H +Total Standard Deviation in ln(k): 1.1201809784655499""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H +Total Standard Deviation in ln(k): 1.1201809784655499 +""", +) + +entry( + index = 2894, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H", + kinetics = ArrheniusBM(A=(2.37078e-20,'m^3/(mol*s)'), n=7.24263, w0=(301000,'J/mol'), E0=(10673.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2925320530200569, var=0.9824483976688104, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H + Total Standard Deviation in ln(k): 2.7220691972958684"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H +Total Standard Deviation in ln(k): 2.7220691972958684""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H +Total Standard Deviation in ln(k): 2.7220691972958684 +""", +) + +entry( + index = 2895, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Sp-8R!H-2R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00121,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(58076.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Sp-8R!H-2R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Sp-8R!H-2R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Sp-8R!H-2R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Sp-8R!H-2R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2896, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Sp-8R!H-2R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00103,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(59989.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Sp-8R!H-2R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Sp-8R!H-2R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Sp-8R!H-2R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Sp-8R!H-2R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2897, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_N-Sp-8R!H-2R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0013,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(65035.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_N-Sp-8R!H-2R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_N-Sp-8R!H-2R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_N-Sp-8R!H-2R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_N-Sp-8R!H-2R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2898, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_N-Sp-8R!H-2R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00111,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(66921.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_N-Sp-8R!H-2R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_N-Sp-8R!H-2R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_N-Sp-8R!H-2R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_N-Sp-8R!H-2R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2899, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-7R!H-1R!H_Ext-2R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00689,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-7R!H-1R!H_Ext-2R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-7R!H-1R!H_Ext-2R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-7R!H-1R!H_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-7R!H-1R!H_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2900, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-7R!H-1R!H_Ext-2R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00584,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-7R!H-1R!H_Ext-2R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-7R!H-1R!H_Ext-2R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-7R!H-1R!H_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-7R!H-1R!H_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2901, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-8R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00159,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(55617.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-8R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-8R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-8R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-8R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2902, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-8R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00135,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(57595.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-8R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-8R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-8R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-8R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2903, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00176,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(58541.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2904, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00149,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(60420.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2905, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0127,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(88871,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_Sp-5R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2906, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.000296074,'m^3/(mol*s)'), n=2.84114, w0=(289500,'J/mol'), E0=(82864,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.00010257963971406787, var=0.001098700445824765, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.06670799093892041"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.06670799093892041""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.06670799093892041 +""", +) + +entry( + index = 2907, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0351,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(82226.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_Sp-5R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2908, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(9.35277e-05,'m^3/(mol*s)'), n=3.09938, w0=(289500,'J/mol'), E0=(72963.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.00010740201120380167, var=0.0013356738514977795, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.07353665052616759"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.07353665052616759""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.07353665052616759 +""", +) + +entry( + index = 2909, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.168,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(79334.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_Sp-5R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2910, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00107251,'m^3/(mol*s)'), n=2.99672, w0=(289500,'J/mol'), E0=(71660.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.00010819233140361043, var=0.0009678681640170879, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.06264031026206024"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.06264031026206024""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.06264031026206024 +""", +) + +entry( + index = 2911, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.466,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(72598.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_Sp-5R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2912, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.000293212,'m^3/(mol*s)'), n=3.27289, w0=(289500,'J/mol'), E0=(61539,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=9.224376233915742e-05, var=0.0015732295222981336, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.07974749509839706"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.07974749509839706""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.07974749509839706 +""", +) + +entry( + index = 2913, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.048,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(79660.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2914, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0444,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(79280,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2915, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.133,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(72612.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2916, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.123,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(72310.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2917, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(4.28796e-05,'m^3/(mol*s)'), n=2.93077, w0=(301000,'J/mol'), E0=(81814.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.012597293149684633, var=0.07369536050475153, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_Ext-2R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_Ext-2R!H-R + Total Standard Deviation in ln(k): 0.5758747049004287"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.5758747049004287""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.5758747049004287 +""", +) + +entry( + index = 2918, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0013,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(83053.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2919, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00110128,'m^3/(mol*s)'), n=2.36432, w0=(301000,'J/mol'), E0=(81704.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.00025715339012184556, var=0.052016845221849906, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.4578700879430024"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.4578700879430024""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.4578700879430024 +""", +) + +entry( + index = 2920, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00309,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(85581.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2921, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(7.95388e-06,'m^3/(mol*s)'), n=3.10499, w0=(301000,'J/mol'), E0=(77500.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.000257884121783621, var=0.04145926121381338, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.40884303289357465"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.40884303289357465""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.40884303289357465 +""", +) + +entry( + index = 2922, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_N-1R!H-inRing_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00145,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(82523.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_N-1R!H-inRing_Sp-5R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_N-1R!H-inRing_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_N-1R!H-inRing_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_N-1R!H-inRing_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2923, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_N-1R!H-inRing_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.000262787,'m^3/(mol*s)'), n=2.54182, w0=(301000,'J/mol'), E0=(77893.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0002672543018706853, var=0.04427198463702263, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_N-1R!H-inRing_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_N-1R!H-inRing_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.42248597408054006"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_N-1R!H-inRing_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.42248597408054006""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_N-1R!H-inRing_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.42248597408054006 +""", +) + +entry( + index = 2924, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R", + kinetics = ArrheniusBM(A=(0.00598641,'m^3/(mol*s)'), n=2.50861, w0=(301000,'J/mol'), E0=(89135.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0006458373711691502, var=0.02741351598070526, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R + Total Standard Deviation in ln(k): 0.333547245132733"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R +Total Standard Deviation in ln(k): 0.333547245132733""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R +Total Standard Deviation in ln(k): 0.333547245132733 +""", +) + +entry( + index = 2925, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(1.27765e-05,'m^3/(mol*s)'), n=3.15055, w0=(301000,'J/mol'), E0=(71002.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.01589346026946101, var=0.04674556936105698, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R + Total Standard Deviation in ln(k): 0.47337154939886006"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 0.47337154939886006""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 0.47337154939886006 +""", +) + +entry( + index = 2926, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.000189665,'m^3/(mol*s)'), n=2.87723, w0=(301000,'J/mol'), E0=(75507.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=3.166183543336016e-05, var=0.01789617473824328, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.26826616516337637"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.26826616516337637""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.26826616516337637 +""", +) + +entry( + index = 2927, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(1.28537e-05,'m^3/(mol*s)'), n=3.11608, w0=(301000,'J/mol'), E0=(68156.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.00822426522407664, var=0.014780214368057869, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.26438745475104214"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.26438745475104214""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.26438745475104214 +""", +) + +entry( + index = 2928, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.000747338,'m^3/(mol*s)'), n=2.68403, w0=(301000,'J/mol'), E0=(78499.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.00032074846408972237, var=0.037383846026938825, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.3884194761563336"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.3884194761563336""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.3884194761563336 +""", +) + +entry( + index = 2929, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(3.82631e-05,'m^3/(mol*s)'), n=2.95937, w0=(301000,'J/mol'), E0=(71560,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.008808521857369191, var=0.02766030142583451, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.35554720188866584"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.35554720188866584""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.35554720188866584 +""", +) + +entry( + index = 2930, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-5R!H=4R!H_Sp-10R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00446,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(77946.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-5R!H=4R!H_Sp-10R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-5R!H=4R!H_Sp-10R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-5R!H=4R!H_Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-5R!H=4R!H_Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2931, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-5R!H=4R!H_N-Sp-10R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00578,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(78516.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-5R!H=4R!H_N-Sp-10R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-5R!H=4R!H_N-Sp-10R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-5R!H=4R!H_N-Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-5R!H=4R!H_N-Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2932, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H", + kinetics = ArrheniusBM(A=(3.68826e-05,'m^3/(mol*s)'), n=2.94217, w0=(301000,'J/mol'), E0=(70154.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0002762397645680032, var=0.03825655477076378, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H + Total Standard Deviation in ln(k): 0.3928058750177906"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 0.3928058750177906""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 0.3928058750177906 +""", +) + +entry( + index = 2933, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H", + kinetics = ArrheniusBM(A=(1.84822e-06,'m^3/(mol*s)'), n=3.36456, w0=(301000,'J/mol'), E0=(67452.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.000295747667326698, var=0.03796319144915901, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H + Total Standard Deviation in ln(k): 0.39134857810911233"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 0.39134857810911233""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 0.39134857810911233 +""", +) + +entry( + index = 2934, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00176,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(74067.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2935, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00163,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(74986,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2936, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_Sp-5R!H=4R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.00445,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(69172.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_Sp-5R!H=4R!H_Ext-2R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_Sp-5R!H=4R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_Sp-5R!H=4R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_Sp-5R!H=4R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2937, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(3.98421e-05,'m^3/(mol*s)'), n=2.93924, w0=(301000,'J/mol'), E0=(63836.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.00020829937445289077, var=0.0754977995994944, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 0.5513616744128954"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.5513616744128954""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.5513616744128954 +""", +) + +entry( + index = 2938, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_1R!H-inRing", + kinetics = ArrheniusBM(A=(3.0143e-06,'m^3/(mol*s)'), n=3.28044, w0=(259000,'J/mol'), E0=(45555.4,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_1R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_1R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_1R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_1R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2939, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-1R!H-inRing", + kinetics = ArrheniusBM(A=(0.000144757,'m^3/(mol*s)'), n=2.75884, w0=(301000,'J/mol'), E0=(67086.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.00018587739287324659, var=0.07360636157597815, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-1R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-1R!H-inRing + Total Standard Deviation in ln(k): 0.5443615256595232"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-1R!H-inRing +Total Standard Deviation in ln(k): 0.5443615256595232""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-1R!H-inRing +Total Standard Deviation in ln(k): 0.5443615256595232 +""", +) + +entry( + index = 2940, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00198,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(74740.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2941, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00183,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(75556.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2942, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_Ext-2R!H-R_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00499,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(70801.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_Ext-2R!H-R_Sp-5R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_Ext-2R!H-R_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_Ext-2R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_Ext-2R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2943, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(1.05593e-05,'m^3/(mol*s)'), n=3.10079, w0=(301000,'J/mol'), E0=(62125.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0002606935492811658, var=0.06363377268950064, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.5063641751807784"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.5063641751807784""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.5063641751807784 +""", +) + +entry( + index = 2944, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_Int-10R!H-2R!H", + kinetics = ArrheniusBM(A=(3.76008e-05,'m^3/(mol*s)'), n=2.87538, w0=(259000,'J/mol'), E0=(47729.9,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_Int-10R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_Int-10R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_Int-10R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_Int-10R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2945, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_1R!H-inRing", + kinetics = ArrheniusBM(A=(0.000203185,'m^3/(mol*s)'), n=2.7789, w0=(259000,'J/mol'), E0=(51557.8,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_1R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_1R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_1R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_1R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2946, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-1R!H-inRing", + kinetics = ArrheniusBM(A=(1.33787e-05,'m^3/(mol*s)'), n=3.02817, w0=(301000,'J/mol'), E0=(64524.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.00026746115224705045, var=0.06551481683990103, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-1R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-1R!H-inRing + Total Standard Deviation in ln(k): 0.5138012434295899"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-1R!H-inRing +Total Standard Deviation in ln(k): 0.5138012434295899""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-1R!H-inRing +Total Standard Deviation in ln(k): 0.5138012434295899 +""", +) + +entry( + index = 2947, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(6.26278e-05,'m^3/(mol*s)'), n=2.9954, w0=(301000,'J/mol'), E0=(74963.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.026729810927411887, var=0.231244637109833, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 1.0311953792495825"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.0311953792495825""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.0311953792495825 +""", +) + +entry( + index = 2948, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0305933,'m^3/(mol*s)'), n=2.15586, w0=(301000,'J/mol'), E0=(81517.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.02421516472511621, var=0.6583226747114027, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Sp-5R!H=4R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 1.6874257490272768"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.6874257490272768""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.6874257490272768 +""", +) + +entry( + index = 2949, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.000471754,'m^3/(mol*s)'), n=2.58227, w0=(301000,'J/mol'), E0=(73486.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03791748219316808, var=0.3785294669630349, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 1.3286782688580718"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.3286782688580718""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.3286782688580718 +""", +) + +entry( + index = 2950, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(1.46265e-06,'m^3/(mol*s)'), n=3.56949, w0=(301000,'J/mol'), E0=(63969.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07855230759354624, var=0.19749648394548894, Tref=1000.0, N=36, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 36 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 1.0882834326660966"""), + rank = 11, + shortDesc = """BM rule fitted to 36 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.0882834326660966""", + longDesc = +""" +BM rule fitted to 36 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.0882834326660966 +""", +) + +entry( + index = 2951, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.000232508,'m^3/(mol*s)'), n=2.9428, w0=(301000,'J/mol'), E0=(70144.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.025461544081531343, var=0.3941672509213744, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 1.3226013509230932"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.3226013509230932""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.3226013509230932 +""", +) + +entry( + index = 2952, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(6.06343e-06,'m^3/(mol*s)'), n=3.29922, w0=(301000,'J/mol'), E0=(61849.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.040770745880538695, var=0.2877371104153102, Tref=1000.0, N=16, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 16 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 1.177801660685798"""), + rank = 11, + shortDesc = """BM rule fitted to 16 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.177801660685798""", + longDesc = +""" +BM rule fitted to 16 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.177801660685798 +""", +) + +entry( + index = 2953, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.00809525,'m^3/(mol*s)'), n=2.4898, w0=(301000,'J/mol'), E0=(63504.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.003950315783990191, var=0.1472156598748841, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R + Total Standard Deviation in ln(k): 0.7791160628640005"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 0.7791160628640005""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 0.7791160628640005 +""", +) + +entry( + index = 2954, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.000245358,'m^3/(mol*s)'), n=2.83422, w0=(301000,'J/mol'), E0=(57606.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.00889240535596189, var=0.09266004400416382, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R + Total Standard Deviation in ln(k): 0.6325863369566848"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 0.6325863369566848""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 0.6325863369566848 +""", +) + +entry( + index = 2955, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00386,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(61331.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2956, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00357,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(62204.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2957, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.0336711,'m^3/(mol*s)'), n=2.29282, w0=(301000,'J/mol'), E0=(66862.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.009116630203745897, var=0.14501886586696144, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R + Total Standard Deviation in ln(k): 0.7863361402559895"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 0.7863361402559895""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 0.7863361402559895 +""", +) + +entry( + index = 2958, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.00400446,'m^3/(mol*s)'), n=2.63549, w0=(301000,'J/mol'), E0=(75345.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.004264714412366993, var=0.43834624977831377, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R + Total Standard Deviation in ln(k): 1.3380047965891908"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 1.3380047965891908""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 1.3380047965891908 +""", +) + +entry( + index = 2959, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.00086403,'m^3/(mol*s)'), n=2.65752, w0=(301000,'J/mol'), E0=(60832.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.013774648846329689, var=0.09316814718613498, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R + Total Standard Deviation in ln(k): 0.6465241344368033"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 0.6465241344368033""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 0.6465241344368033 +""", +) + +entry( + index = 2960, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00307,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(63727.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2961, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00283,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(64594.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2962, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(9.98471e-05,'m^3/(mol*s)'), n=2.99981, w0=(301000,'J/mol'), E0=(68872.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.010922102469469761, var=0.23478264510063365, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R + Total Standard Deviation in ln(k): 0.9988243195077939"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 0.9988243195077939""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 0.9988243195077939 +""", +) + +entry( + index = 2963, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0033,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(71010.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2964, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00305,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(71838.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2965, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.0148,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(66942.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2966, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-8R!H=6R!H", + kinetics = ArrheniusBM(A=(0.007,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(66189,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-8R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-8R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-8R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-8R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2967, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00739,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(63214.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2968, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.00900385,'m^3/(mol*s)'), n=2.40478, w0=(301000,'J/mol'), E0=(65864.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.00023910333901961257, var=0.07439181328281451, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 0.5473895011064926"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.5473895011064926""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.5473895011064926 +""", +) + +entry( + index = 2969, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-8R!H=6R!H", + kinetics = ArrheniusBM(A=(8.81977e-05,'m^3/(mol*s)'), n=2.89973, w0=(301000,'J/mol'), E0=(61286.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.00022621404603993806, var=0.07235820886536953, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-8R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-8R!H=6R!H + Total Standard Deviation in ln(k): 0.5398317121881591"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-8R!H=6R!H +Total Standard Deviation in ln(k): 0.5398317121881591""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-8R!H=6R!H +Total Standard Deviation in ln(k): 0.5398317121881591 +""", +) + +entry( + index = 2970, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00120012,'m^3/(mol*s)'), n=2.62162, w0=(301000,'J/mol'), E0=(63817.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.00022450523668694552, var=0.07847749869086545, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H + Total Standard Deviation in ln(k): 0.5621672729804021"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H +Total Standard Deviation in ln(k): 0.5621672729804021""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H +Total Standard Deviation in ln(k): 0.5621672729804021 +""", +) + +entry( + index = 2971, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(8.44141e-06,'m^3/(mol*s)'), n=3.27995, w0=(301000,'J/mol'), E0=(70993.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.016884301240312954, var=0.15180708878982382, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 0.8235163522893301"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.8235163522893301""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.8235163522893301 +""", +) + +entry( + index = 2972, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.00017488,'m^3/(mol*s)'), n=2.78573, w0=(301000,'J/mol'), E0=(70349.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.026560836065877752, var=0.0403675949215108, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R + Total Standard Deviation in ln(k): 0.4695208972243586"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R +Total Standard Deviation in ln(k): 0.4695208972243586""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R +Total Standard Deviation in ln(k): 0.4695208972243586 +""", +) + +entry( + index = 2973, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0039,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(81166.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Sp-5R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2974, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.000426944,'m^3/(mol*s)'), n=2.59822, w0=(301000,'J/mol'), E0=(75141.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0002645917503518463, var=0.037630773279437035, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.38955640182517"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.38955640182517""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.38955640182517 +""", +) + +entry( + index = 2975, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(3.32992e-06,'m^3/(mol*s)'), n=3.49651, w0=(301000,'J/mol'), E0=(63422.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06051490206037146, var=0.10853028759362594, Tref=1000.0, N=27, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 27 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 0.8124861203251356"""), + rank = 11, + shortDesc = """BM rule fitted to 27 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.8124861203251356""", + longDesc = +""" +BM rule fitted to 27 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.8124861203251356 +""", +) + +entry( + index = 2976, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(4.44511e-08,'m^3/(mol*s)'), n=3.97399, w0=(301000,'J/mol'), E0=(54385.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10094903290755522, var=0.15474081998062175, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R + Total Standard Deviation in ln(k): 1.0422456228541281"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R +Total Standard Deviation in ln(k): 1.0422456228541281""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R +Total Standard Deviation in ln(k): 1.0422456228541281 +""", +) + +entry( + index = 2977, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.000511267,'m^3/(mol*s)'), n=2.86835, w0=(301000,'J/mol'), E0=(72671.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0007359614343975584, var=0.025373601746862377, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-5R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.32118527281395715"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.32118527281395715""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.32118527281395715 +""", +) + +entry( + index = 2978, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(5.04365e-05,'m^3/(mol*s)'), n=3.05866, w0=(301000,'J/mol'), E0=(65226.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0020896654201592634, var=0.020603560063181155, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.2930088907604705"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.2930088907604705""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.2930088907604705 +""", +) + +entry( + index = 2979, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(6.60135e-06,'m^3/(mol*s)'), n=3.34984, w0=(301000,'J/mol'), E0=(53648.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.00920005506899753, var=0.05864982936772048, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 0.5086169813201622"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 0.5086169813201622""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 0.5086169813201622 +""", +) + +entry( + index = 2980, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0134,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(67058.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Sp-5R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2981, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(4.43437e-05,'m^3/(mol*s)'), n=3.05989, w0=(301000,'J/mol'), E0=(59506.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0003013852430013303, var=0.0560654576066926, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.4754413386090732"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.4754413386090732""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.4754413386090732 +""", +) + +entry( + index = 2982, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(1.0585e-06,'m^3/(mol*s)'), n=3.65254, w0=(301000,'J/mol'), E0=(61943.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.05798082310701157, var=1.2128480637604657, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-5R!H=4R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 2.3534827986059446"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 2.3534827986059446""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 2.3534827986059446 +""", +) + +entry( + index = 2983, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(7.98249e-10,'m^3/(mol*s)'), n=4.4512, w0=(301000,'J/mol'), E0=(50608.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.11698203697501593, var=0.595711135862018, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 1.8412258674402602"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.8412258674402602""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.8412258674402602 +""", +) + +entry( + index = 2984, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Sp-5R!H=4R!H_Sp-7R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000387895,'m^3/(mol*s)'), n=2.77312, w0=(301000,'J/mol'), E0=(65791.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=5.166553000908251e-16, var=1.4143973391468434, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Sp-5R!H=4R!H_Sp-7R!H-2R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Sp-5R!H=4R!H_Sp-7R!H-2R!H + Total Standard Deviation in ln(k): 2.3842001158036807"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Sp-5R!H=4R!H_Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 2.3842001158036807""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Sp-5R!H=4R!H_Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 2.3842001158036807 +""", +) + +entry( + index = 2985, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Sp-5R!H=4R!H_N-Sp-7R!H-2R!H", + kinetics = ArrheniusBM(A=(0.0114,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(74523.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Sp-5R!H=4R!H_N-Sp-7R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Sp-5R!H=4R!H_N-Sp-7R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Sp-5R!H=4R!H_N-Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Sp-5R!H=4R!H_N-Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2986, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-2R!H", + kinetics = ArrheniusBM(A=(9.91553e-05,'m^3/(mol*s)'), n=2.94206, w0=(301000,'J/mol'), E0=(63312.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0002912787087683769, var=0.05616057004452695, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-2R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-2R!H + Total Standard Deviation in ln(k): 0.47581841441236544"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 0.47581841441236544""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 0.47581841441236544 +""", +) + +entry( + index = 2987, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000150106,'m^3/(mol*s)'), n=2.89922, w0=(301000,'J/mol'), E0=(69226.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0002713923815302178, var=0.0560004113926687, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-2R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-2R!H + Total Standard Deviation in ln(k): 0.47509053944351004"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 0.47509053944351004""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 0.47509053944351004 +""", +) + +entry( + index = 2988, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_Ext-2R!H-R_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0605,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_Ext-2R!H-R_Sp-5R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_Ext-2R!H-R_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_Ext-2R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_Ext-2R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2989, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(9.55048e-19,'m^3/(mol*s)'), n=7.12321, w0=(301000,'J/mol'), E0=(-8474.79,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=4.873670871704181, var=0.0004535572479541914, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 12.288098809707117"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 12.288098809707117""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 12.288098809707117 +""", +) + +entry( + index = 2990, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0219,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2991, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0202,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2992, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(9.94311e-06,'m^3/(mol*s)'), n=3.27361, w0=(301000,'J/mol'), E0=(63220,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.014058761548577917, var=6.071807519224438, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R + Total Standard Deviation in ln(k): 4.975198836377175"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 4.975198836377175""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 4.975198836377175 +""", +) + +entry( + index = 2993, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(8.17019e-06,'m^3/(mol*s)'), n=3.30564, w0=(301000,'J/mol'), E0=(58358.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.015161850744206413, var=0.045140490892215085, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R + Total Standard Deviation in ln(k): 0.4640269637467565"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 0.4640269637467565""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 0.4640269637467565 +""", +) + +entry( + index = 2994, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00491,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(66128.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2995, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00454,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(66943.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2996, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_N-Sp-6R!H-1R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0191,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_N-Sp-6R!H-1R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_N-Sp-6R!H-1R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_N-Sp-6R!H-1R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_N-Sp-6R!H-1R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2997, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_N-Sp-6R!H-1R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0176,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_N-Sp-6R!H-1R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_N-Sp-6R!H-1R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_N-Sp-6R!H-1R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_N-Sp-6R!H-1R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2998, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-5R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(7.91401e-07,'m^3/(mol*s)'), n=3.27942, w0=(301000,'J/mol'), E0=(61847.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0005917505413007227, var=0.05031454985186037, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-5R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-5R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 0.45116703084892323"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-5R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 0.45116703084892323""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-5R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 0.45116703084892323 +""", +) + +entry( + index = 2999, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_N-2R!H->O_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(3.47476e-06,'m^3/(mol*s)'), n=3.17903, w0=(301000,'J/mol'), E0=(64077.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-2.4352762842822745e-16, var=0.0003392486920036511, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_N-2R!H->O_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_N-2R!H->O_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 0.03692462389172413"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_N-2R!H->O_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 0.03692462389172413""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_N-2R!H->O_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 0.03692462389172413 +""", +) + entry( index = 3000, - label = "R_R;YJ", - kinetics = ArrheniusEP( - A = (1e+13, 'cm^3/(mol*s)'), - n = 0, - alpha = 0, - E0 = (0.5, 'kcal/mol'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), - rank = 0, - shortDesc = u"""Default""", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00799,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(73326.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3001, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00738,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(73702,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3002, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.0112858,'m^3/(mol*s)'), n=2.64068, w0=(301000,'J/mol'), E0=(75259.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08012028581997939, var=0.01321882040156362, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 0.4317979155509658"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.4317979155509658""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.4317979155509658 +""", +) + +entry( + index = 3003, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.000382928,'m^3/(mol*s)'), n=2.9985, w0=(301000,'J/mol'), E0=(66099.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-4.83791247297692e-05, var=0.059716128373722345, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Sp-5R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.49001633444111165"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.49001633444111165""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.49001633444111165 +""", +) + +entry( + index = 3004, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(4.85049e-05,'m^3/(mol*s)'), n=3.1561, w0=(301000,'J/mol'), E0=(57979.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.007783057973313789, var=0.01976912293765735, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.30142661301873963"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.30142661301873963""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.30142661301873963 +""", +) + +entry( + index = 3005, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Sp-5R!H=4R!H_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.0249,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(68366,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Sp-5R!H=4R!H_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Sp-5R!H=4R!H_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Sp-5R!H=4R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Sp-5R!H=4R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3006, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Sp-5R!H=4R!H_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.0323,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(69677.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Sp-5R!H=4R!H_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Sp-5R!H=4R!H_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Sp-5R!H=4R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Sp-5R!H=4R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3007, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_N-Sp-5R!H=4R!H_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.000520179,'m^3/(mol*s)'), n=2.83609, w0=(301000,'J/mol'), E0=(61376.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.00025438792842261257, var=0.02303693076945056, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_N-Sp-5R!H=4R!H_Sp-7R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_N-Sp-5R!H=4R!H_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 0.3049162863605462"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_N-Sp-5R!H=4R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 0.3049162863605462""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_N-Sp-5R!H=4R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 0.3049162863605462 +""", +) + +entry( + index = 3008, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(9.41674e-05,'m^3/(mol*s)'), n=3.08897, w0=(301000,'J/mol'), E0=(60168.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.00026727467060284644, var=0.02846793934131197, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 0.33891936364919134"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 0.33891936364919134""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 0.33891936364919134 +""", +) + +entry( + index = 3009, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(2.38058e-14,'m^3/(mol*s)'), n=5.24872, w0=(301000,'J/mol'), E0=(19650.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03047436329628327, var=1.6391034575730408, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R + Total Standard Deviation in ln(k): 2.643180469319135"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 2.643180469319135""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 2.643180469319135 +""", +) + +entry( + index = 3010, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R_N-1R!H-inRing_Ext-3R-R", + kinetics = ArrheniusBM(A=(7.88168e-15,'m^3/(mol*s)'), n=5.28611, w0=(301000,'J/mol'), E0=(6448.25,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.02987501693340065, var=1.6989493231306358, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R_N-1R!H-inRing_Ext-3R-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R_N-1R!H-inRing_Ext-3R-R + Total Standard Deviation in ln(k): 2.688109739228678"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R_N-1R!H-inRing_Ext-3R-R +Total Standard Deviation in ln(k): 2.688109739228678""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R_N-1R!H-inRing_Ext-3R-R +Total Standard Deviation in ln(k): 2.688109739228678 +""", +) + +entry( + index = 3011, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(3.75205e-12,'m^3/(mol*s)'), n=4.62669, w0=(301000,'J/mol'), E0=(-1353.54,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.024711378475048625, var=1.0658500207742168, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-3R-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-3R-R + Total Standard Deviation in ln(k): 2.131777637730823"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 2.131777637730823""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 2.131777637730823 +""", +) + +entry( + index = 3012, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_N-1R!H-inRing_Ext-3R-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(8.32e-05,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(51641.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_N-1R!H-inRing_Ext-3R-R_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_N-1R!H-inRing_Ext-3R-R_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_N-1R!H-inRing_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_N-1R!H-inRing_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3013, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-1R!H-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(1.3956e-08,'m^3/(mol*s)'), n=3.78966, w0=(301000,'J/mol'), E0=(27304.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.4266281731419632, var=0.005925534346862268, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-1R!H-R_Ext-3R-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-1R!H-R_Ext-3R-R + Total Standard Deviation in ln(k): 3.7388123766646792"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-1R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 3.7388123766646792""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-1R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 3.7388123766646792 +""", +) + +entry( + index = 3014, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-3R-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.000881,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-3R-R_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-3R-R_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3015, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_Ext-3R-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.000272758,'m^3/(mol*s)'), n=2.50793, w0=(301000,'J/mol'), E0=(50154.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.00010404567250873803, var=0.05375219091450545, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_Ext-3R-R_Ext-3R-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_Ext-3R-R_Ext-3R-R + Total Standard Deviation in ln(k): 0.4650496009674121"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 0.4650496009674121""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 0.4650496009674121 +""", +) + +entry( + index = 3016, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_Ext-3R-R_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.000348,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(54181.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_Ext-3R-R_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_Ext-3R-R_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_Ext-3R-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_Ext-3R-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3017, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_Ext-3R-R_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.000407,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(55097.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_Ext-3R-R_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_Ext-3R-R_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_Ext-3R-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_Ext-3R-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3018, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.000289,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(43761.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3019, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.000338,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(42757.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3020, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_Ext-3R-R_Ext-3R-R_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.000227,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(46419,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_Ext-3R-R_Ext-3R-R_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_Ext-3R-R_Ext-3R-R_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_Ext-3R-R_Ext-3R-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_Ext-3R-R_Ext-3R-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3021, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.000294,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(44793.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3022, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.00110217,'m^3/(mol*s)'), n=2.38061, w0=(301000,'J/mol'), E0=(54019.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.016190897114343312, var=0.11991425504408502, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R + Total Standard Deviation in ln(k): 0.7348930932408362"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 0.7348930932408362""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 0.7348930932408362 +""", +) + +entry( + index = 3023, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.000739533,'m^3/(mol*s)'), n=2.45584, w0=(301000,'J/mol'), E0=(62535,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.005732050279156091, var=0.13232677473997084, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 0.7436595504194219"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.7436595504194219""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.7436595504194219 +""", +) + +entry( + index = 3024, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.00111,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(67881.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3025, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000526,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(64986,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3026, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000556,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(62515.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3027, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-3R-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.0732009,'m^3/(mol*s)'), n=1.74734, w0=(301000,'J/mol'), E0=(56882.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.012381657580098477, var=0.12103453324906557, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-3R-R_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-3R-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 0.7285573809421565"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-3R-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.7285573809421565""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-3R-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.7285573809421565 +""", +) + +entry( + index = 3028, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.000421,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(57054,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3029, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000199,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(55314,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3030, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00021,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(52790.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3031, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(1.51099e-05,'m^3/(mol*s)'), n=3.03871, w0=(301000,'J/mol'), E0=(32806.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.05416630962115931, var=0.21089107156953713, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3R-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3R-R + Total Standard Deviation in ln(k): 1.0567282973748173"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 1.0567282973748173""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 1.0567282973748173 +""", +) + +entry( + index = 3032, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(2.07126e-08,'m^3/(mol*s)'), n=3.90564, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1417208246939703, var=0.32136425798910556, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.492546717178713"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.492546717178713""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.492546717178713 +""", +) + +entry( + index = 3033, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.00122695,'m^3/(mol*s)'), n=2.42283, w0=(301000,'J/mol'), E0=(42296.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.009038389407237139, var=0.09554812462113965, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R + Total Standard Deviation in ln(k): 0.6423903678705046"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 0.6423903678705046""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 0.6423903678705046 +""", +) + +entry( + index = 3034, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.00115709,'m^3/(mol*s)'), n=2.46182, w0=(301000,'J/mol'), E0=(51623.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0051294487720774185, var=0.07272021571823277, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 0.5534986769429656"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.5534986769429656""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.5534986769429656 +""", +) + +entry( + index = 3035, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00065,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(46950,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3036, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.000761,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(47214,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3037, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.000265155,'m^3/(mol*s)'), n=2.70724, w0=(301000,'J/mol'), E0=(58493.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=5.4187857458670996e-05, var=0.04421715427654497, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 0.4216893440589238"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 0.4216893440589238""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 0.4216893440589238 +""", +) + +entry( + index = 3038, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(3.65009e-05,'m^3/(mol*s)'), n=2.87007, w0=(301000,'J/mol'), E0=(54303.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.00014476888688525784, var=0.018802027117453907, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 0.2752539849166676"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 0.2752539849166676""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 0.2752539849166676 +""", +) + +entry( + index = 3039, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000178082,'m^3/(mol*s)'), n=2.70367, w0=(301000,'J/mol'), E0=(55664.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=2.3165641405966143e-06, var=0.008778498286400128, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 0.18783674832594366"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 0.18783674832594366""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 0.18783674832594366 +""", +) + +entry( + index = 3040, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Ext-3R-R_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00314284,'m^3/(mol*s)'), n=2.27115, w0=(301000,'J/mol'), E0=(46120.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.05050104342192937, var=0.26919189324219167, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Ext-3R-R_Sp-8R!H=7R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Ext-3R-R_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 1.1670178943412446"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Ext-3R-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 1.1670178943412446""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Ext-3R-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 1.1670178943412446 +""", +) + +entry( + index = 3041, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Ext-3R-R_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.000188249,'m^3/(mol*s)'), n=2.65347, w0=(301000,'J/mol'), E0=(40283.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06028755286995052, var=0.2982579667214789, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Ext-3R-R_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Ext-3R-R_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 1.2463222126279285"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Ext-3R-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 1.2463222126279285""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Ext-3R-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 1.2463222126279285 +""", +) + +entry( + index = 3042, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.00178687,'m^3/(mol*s)'), n=2.37225, w0=(301000,'J/mol'), E0=(53764.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0021884328861875757, var=0.3015608630509097, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.1063899728179718"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.1063899728179718""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.1063899728179718 +""", +) + +entry( + index = 3043, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.000571624,'m^3/(mol*s)'), n=2.55169, w0=(301000,'J/mol'), E0=(51628.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0022916262330205956, var=0.21922983455526054, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R + Total Standard Deviation in ln(k): 0.9444146262588369"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.9444146262588369""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.9444146262588369 +""", +) + +entry( + index = 3044, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.00161,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(58097.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3045, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00076,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(57615.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3046, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000803,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(54799.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3047, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.00208,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(58482.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3048, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000985,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(56805.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3049, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00104,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(54292.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3050, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.00107,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(35768.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3051, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000506,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(31288.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3052, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000534,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(28628.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3053, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.000851,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(39307.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3054, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Sp-7R!H-2R!H_Ext-5R!H-R_Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000402,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(34815.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Sp-7R!H-2R!H_Ext-5R!H-R_Sp-10R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Sp-7R!H-2R!H_Ext-5R!H-R_Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Sp-7R!H-2R!H_Ext-5R!H-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Sp-7R!H-2R!H_Ext-5R!H-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3055, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000425,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(32213.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-10R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3056, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.000915,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(46782,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3057, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000432,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(45100.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Sp-10R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3058, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000457,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(42185.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-10R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3059, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000623,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(44114.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_Sp-10R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3060, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_N-Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000687,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(43821.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_N-Sp-10R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_N-Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-3R-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3061, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(6.83502e-11,'m^3/(mol*s)'), n=4.4953, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=2.1562944706530973, var=0.6735939437397054, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-1R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-1R!H-R + Total Standard Deviation in ln(k): 7.063166895464076"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 7.063166895464076""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 7.063166895464076 +""", +) + +entry( + index = 3062, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.00106,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3063, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-1R!H-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.000445,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-1R!H-R_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-1R!H-R_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-1R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-1R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3064, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.000331464,'m^3/(mol*s)'), n=2.78715, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.035737700836994776, var=0.48268505845096416, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.4825937281274069"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.4825937281274069""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.4825937281274069 +""", +) + +entry( + index = 3065, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(2.21231e-07,'m^3/(mol*s)'), n=3.56093, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10905751972237851, var=0.1668314535060473, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-1R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-1R!H-R + Total Standard Deviation in ln(k): 1.0928480361835577"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 1.0928480361835577""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 1.0928480361835577 +""", +) + +entry( + index = 3066, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(2.97568e-05,'m^3/(mol*s)'), n=2.92585, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.5334121036188468, var=0.023701422848533826, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R + Total Standard Deviation in ln(k): 1.6488657225308117"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R +Total Standard Deviation in ln(k): 1.6488657225308117""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R +Total Standard Deviation in ln(k): 1.6488657225308117 +""", +) + +entry( + index = 3067, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00328,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3068, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00383,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3069, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(8.46161e-08,'m^3/(mol*s)'), n=3.6315, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.2630808065743686, var=0.1845353813655453, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-3R-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-3R-R + Total Standard Deviation in ln(k): 4.034755571738254"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 4.034755571738254""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 4.034755571738254 +""", +) + +entry( + index = 3070, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1R!H-R_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00257,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1R!H-R_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1R!H-R_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1R!H-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1R!H-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3071, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00334,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3072, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00153,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3073, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00199,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3074, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(1.25852e-07,'m^3/(mol*s)'), n=3.62906, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.11551352687010243, var=0.21359408090859636, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-3R-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-3R-R + Total Standard Deviation in ln(k): 1.2167481602206702"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-3R-R +Total Standard Deviation in ln(k): 1.2167481602206702""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-3R-R +Total Standard Deviation in ln(k): 1.2167481602206702 +""", +) + +entry( + index = 3075, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(1.06823e-07,'m^3/(mol*s)'), n=3.73856, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12588908134734048, var=0.3201222237434894, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.4505701926133172"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.4505701926133172""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.4505701926133172 +""", +) + +entry( + index = 3076, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(3.33275e-08,'m^3/(mol*s)'), n=3.71098, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12327556121756404, var=0.3199625118570379, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.443720576021884"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.443720576021884""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.443720576021884 +""", +) + +entry( + index = 3077, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.00354,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3078, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00167,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3079, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_N-Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00176,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_N-Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_N-Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3080, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.050176,'m^3/(mol*s)'), n=2.264, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.01383394952489593, var=0.23891286051529775, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 1.0146473762656838"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 1.0146473762656838""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 1.0146473762656838 +""", +) + +entry( + index = 3081, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.000354543,'m^3/(mol*s)'), n=2.72841, w0=(301000,'J/mol'), E0=(38982.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.006921537554067651, var=0.15401797932488714, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R + Total Standard Deviation in ln(k): 0.8041515739297218"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R +Total Standard Deviation in ln(k): 0.8041515739297218""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R +Total Standard Deviation in ln(k): 0.8041515739297218 +""", +) + +entry( + index = 3082, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.000350272,'m^3/(mol*s)'), n=2.80257, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03719795152261456, var=0.16745556074956108, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 0.9138265342225965"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.9138265342225965""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.9138265342225965 +""", +) + +entry( + index = 3083, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00546,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3084, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00639,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3085, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(9.11853e-05,'m^3/(mol*s)'), n=2.85529, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04219354383607689, var=0.21371187954094012, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 1.0327825513570785"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 1.0327825513570785""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 1.0327825513570785 +""", +) + +entry( + index = 3086, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.000214781,'m^3/(mol*s)'), n=2.78107, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03516128619691243, var=0.21143981276461185, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 1.0101739521320996"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 1.0101739521320996""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 1.0101739521320996 +""", +) + +entry( + index = 3087, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(7.84584e-05,'m^3/(mol*s)'), n=2.96316, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.05241529511278572, var=0.314422442587, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.2558195253568583"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.2558195253568583""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.2558195253568583 +""", +) + +entry( + index = 3088, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.000185263,'m^3/(mol*s)'), n=2.88854, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.045344609580991256, var=0.31917233051856614, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.2465130537010163"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.2465130537010163""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.2465130537010163 +""", +) + +entry( + index = 3089, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.00643,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(53570.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3090, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00304,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(51881.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3091, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00321,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(49063.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3092, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_Sp-7R!H-2C_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.00511,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(54206.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_Sp-7R!H-2C_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_Sp-7R!H-2C_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_Sp-7R!H-2C_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_Sp-7R!H-2C_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3093, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_Sp-7R!H-2C_Ext-5R!H-R_Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00242,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(53478.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_Sp-7R!H-2C_Ext-5R!H-R_Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_Sp-7R!H-2C_Ext-5R!H-R_Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_Sp-7R!H-2C_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_Sp-7R!H-2C_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3094, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_Sp-7R!H-2C_Ext-5R!H-R_N-Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00255,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(50662.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_Sp-7R!H-2C_Ext-5R!H-R_N-Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_Sp-7R!H-2C_Ext-5R!H-R_N-Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_Sp-7R!H-2C_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_Sp-7R!H-2C_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3095, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_N-Sp-7R!H-2C_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.0055,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(63784.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_N-Sp-7R!H-2C_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_N-Sp-7R!H-2C_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_N-Sp-7R!H-2C_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_N-Sp-7R!H-2C_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3096, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_N-Sp-7R!H-2C_Ext-5R!H-R_Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.0026,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(60286.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_N-Sp-7R!H-2C_Ext-5R!H-R_Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_N-Sp-7R!H-2C_Ext-5R!H-R_Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_N-Sp-7R!H-2C_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_N-Sp-7R!H-2C_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3097, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_N-Sp-7R!H-2C_Ext-5R!H-R_N-Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00274,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(59646.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_N-Sp-7R!H-2C_Ext-5R!H-R_N-Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_N-Sp-7R!H-2C_Ext-5R!H-R_N-Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_N-Sp-7R!H-2C_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_N-Sp-7R!H-2C_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3098, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(3.26375e-05,'m^3/(mol*s)'), n=3.00615, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.6164432329557428, var=0.11771844859144631, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 2.2366793991065532"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 2.2366793991065532""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 2.2366793991065532 +""", +) + +entry( + index = 3099, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00706,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3100, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00779,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3101, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00177,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3102, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00195,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3103, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(8.39475,'m^3/(mol*s)'), n=1.64271, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07270507436938886, var=0.26829740646143563, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R + Total Standard Deviation in ln(k): 1.2210773746454693"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 1.2210773746454693""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 1.2210773746454693 +""", +) + +entry( + index = 3104, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(11.8628,'m^3/(mol*s)'), n=1.69219, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.7422479743752823, var=0.11570810325754474, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 2.5468732145925657"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 2.5468732145925657""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 2.5468732145925657 +""", +) + +entry( + index = 3105, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.105652,'m^3/(mol*s)'), n=2.07178, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.032048648938531044, var=0.09315999353369411, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 0.69241193096172"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.69241193096172""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.69241193096172 +""", +) + +entry( + index = 3106, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00466,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3107, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00545,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3108, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.027359,'m^3/(mol*s)'), n=2.31267, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10064379313563147, var=0.022639741159610524, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 0.5545164816289948"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 0.5545164816289948""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 0.5545164816289948 +""", +) + +entry( + index = 3109, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.280584,'m^3/(mol*s)'), n=2.03528, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.38747860357218117, var=0.022738350680030547, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 1.2758631627624997"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 1.2758631627624997""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 1.2758631627624997 +""", +) + +entry( + index = 3110, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.0115139,'m^3/(mol*s)'), n=2.33214, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08051503450850515, var=0.17921620563470844, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 1.0509823271568497"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 1.0509823271568497""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 1.0509823271568497 +""", +) + +entry( + index = 3111, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.118032,'m^3/(mol*s)'), n=2.05474, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.36734984494505485, var=0.1783471547619678, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 1.7696125979348174"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 1.7696125979348174""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 1.7696125979348174 +""", +) + +entry( + index = 3112, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.0102,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3113, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.0132,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3114, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.0113,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3115, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.0146,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3116, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00606,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(49304.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3117, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00669,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3118, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Sp-8R!H=5R!H_Sp-6R!H-2C", + kinetics = ArrheniusBM(A=(0.00482,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(50267.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Sp-8R!H=5R!H_Sp-6R!H-2C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Sp-8R!H=5R!H_Sp-6R!H-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Sp-8R!H=5R!H_Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Sp-8R!H=5R!H_Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3119, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Sp-8R!H=5R!H_N-Sp-6R!H-2C", + kinetics = ArrheniusBM(A=(0.00518,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(55828.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Sp-8R!H=5R!H_N-Sp-6R!H-2C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Sp-8R!H=5R!H_N-Sp-6R!H-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Sp-8R!H=5R!H_N-Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Sp-8R!H=5R!H_N-Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3120, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_N-Sp-8R!H=5R!H_Sp-6R!H-2C", + kinetics = ArrheniusBM(A=(0.00531,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_N-Sp-8R!H=5R!H_Sp-6R!H-2C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_N-Sp-8R!H=5R!H_Sp-6R!H-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_N-Sp-8R!H=5R!H_Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_N-Sp-8R!H=5R!H_Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3121, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_N-Sp-8R!H=5R!H_N-Sp-6R!H-2C", + kinetics = ArrheniusBM(A=(0.00571,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(52487,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_N-Sp-8R!H=5R!H_N-Sp-6R!H-2C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_N-Sp-8R!H=5R!H_N-Sp-6R!H-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_N-Sp-8R!H=5R!H_N-Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_N-Sp-8R!H=5R!H_N-Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3122, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_Ext-11R!H-R", + kinetics = ArrheniusBM(A=(0.0146,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_Ext-11R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_Ext-11R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_Ext-11R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_Ext-11R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3123, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00479,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_Sp-10R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3124, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_N-Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(0.0056,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_N-Sp-10R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_N-Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_4R!H-inRing_Ext-4R!H-R_Sp-6R!H-=4R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3125, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_Ext-7R!H-R_Ext-4R!H-R_Sp-9R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0516,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_Ext-7R!H-R_Ext-4R!H-R_Sp-9R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_Ext-7R!H-R_Ext-4R!H-R_Sp-9R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_Ext-7R!H-R_Ext-4R!H-R_Sp-9R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_Ext-7R!H-R_Ext-4R!H-R_Sp-9R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3126, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_Ext-7R!H-R_Ext-4R!H-R_N-Sp-9R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0569,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_Ext-7R!H-R_Ext-4R!H-R_N-Sp-9R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_Ext-7R!H-R_Ext-4R!H-R_N-Sp-9R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_Ext-7R!H-R_Ext-4R!H-R_N-Sp-9R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_Ext-7R!H-R_Ext-4R!H-R_N-Sp-9R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3127, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_Ext-4R!H-R_Sp-8R!H=4R!H_Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(0.0169,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_Ext-4R!H-R_Sp-8R!H=4R!H_Sp-6R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_Ext-4R!H-R_Sp-8R!H=4R!H_Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_Ext-4R!H-R_Sp-8R!H=4R!H_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_Ext-4R!H-R_Sp-8R!H=4R!H_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3128, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_Ext-4R!H-R_Sp-8R!H=4R!H_N-Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(0.0198,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_Ext-4R!H-R_Sp-8R!H=4R!H_N-Sp-6R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_Ext-4R!H-R_Sp-8R!H=4R!H_N-Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_Ext-4R!H-R_Sp-8R!H=4R!H_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_Ext-4R!H-R_Sp-8R!H=4R!H_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3129, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_Ext-4R!H-R_N-Sp-8R!H=4R!H_Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(0.0187,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_Ext-4R!H-R_N-Sp-8R!H=4R!H_Sp-6R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_Ext-4R!H-R_N-Sp-8R!H=4R!H_Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_Ext-4R!H-R_N-Sp-8R!H=4R!H_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_Ext-4R!H-R_N-Sp-8R!H=4R!H_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3130, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_Ext-4R!H-R_N-Sp-8R!H=4R!H_N-Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(0.0218,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_Ext-4R!H-R_N-Sp-8R!H=4R!H_N-Sp-6R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_Ext-4R!H-R_N-Sp-8R!H=4R!H_N-Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_Ext-4R!H-R_N-Sp-8R!H=4R!H_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H#1R!H_Ext-2R!H-R_Sp-5R!H-2R!H_N-4R!H-inRing_N-5R!H-inRing_Ext-5R!H-R_Ext-2R!H-R_Ext-4R!H-R_N-Sp-8R!H=4R!H_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3131, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(0.000329,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(74060.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-1R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-1R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3132, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R", + kinetics = ArrheniusBM(A=(0.245522,'m^3/(mol*s)'), n=1.84723, w0=(301000,'J/mol'), E0=(94991.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0007324336637677745, var=3.669803448289288e-09, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R + Total Standard Deviation in ln(k): 0.0019617302384819933"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R +Total Standard Deviation in ln(k): 0.0019617302384819933""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R +Total Standard Deviation in ln(k): 0.0019617302384819933 +""", +) + +entry( + index = 3133, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(0.0210721,'m^3/(mol*s)'), n=2.02733, w0=(301000,'J/mol'), E0=(73182,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.6741780939027373e-07, var=0.009086290082669752, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-1R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-1R!H-R + Total Standard Deviation in ln(k): 0.1910958449809332"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 0.1910958449809332""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 0.1910958449809332 +""", +) + +entry( + index = 3134, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.000606,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(69099.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3135, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.000709,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(69531.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3136, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-1R!H-R_Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.000476,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(68013.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-1R!H-R_Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-1R!H-R_Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-1R!H-R_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-1R!H-R_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3137, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-1R!H-R_N-Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.000617,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(67846.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-1R!H-R_N-Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-1R!H-R_N-Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-1R!H-R_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-1R!H-R_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3138, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(0.00482,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(88392.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3139, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.00158,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(71221.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3140, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.00185,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(70644.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3141, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.0454495,'m^3/(mol*s)'), n=1.98492, w0=(301000,'J/mol'), E0=(76008.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.013576516729453647, var=0.10727654051850019, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 0.6907246884531723"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.6907246884531723""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.6907246884531723 +""", +) + +entry( + index = 3142, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.000654,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(67078.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3143, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000309,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(64474.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3144, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000326,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(61209.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3145, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-13R!H-R", + kinetics = ArrheniusBM(A=(1.14559,'m^3/(mol*s)'), n=1.77384, w0=(301000,'J/mol'), E0=(89138.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.016658744778902567, var=0.4881115581782185, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-13R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-13R!H-R + Total Standard Deviation in ln(k): 1.442463925254018"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-13R!H-R +Total Standard Deviation in ln(k): 1.442463925254018""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-13R!H-R +Total Standard Deviation in ln(k): 1.442463925254018 +""", +) + +entry( + index = 3146, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.045847,'m^3/(mol*s)'), n=2.05488, w0=(301000,'J/mol'), E0=(66806.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.010852997131718051, var=0.07379682505970761, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 0.5718665688740734"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.5718665688740734""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.5718665688740734 +""", +) + +entry( + index = 3147, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Sp-12R!H=11R!H", + kinetics = ArrheniusBM(A=(0.00101,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(60983.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Sp-12R!H=11R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Sp-12R!H=11R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Sp-12R!H=11R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Sp-12R!H=11R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3148, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_N-Sp-12R!H=11R!H", + kinetics = ArrheniusBM(A=(0.00118,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(62158.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_N-Sp-12R!H=11R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_N-Sp-12R!H=11R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_N-Sp-12R!H=11R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_N-Sp-12R!H=11R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3149, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Sp-12R!H=11R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.178739,'m^3/(mol*s)'), n=1.83449, w0=(301000,'J/mol'), E0=(68763.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.013417465078842493, var=0.2791140151552171, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Sp-12R!H=11R!H_Ext-8R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Sp-12R!H=11R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.0928386678627182"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Sp-12R!H=11R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.0928386678627182""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Sp-12R!H=11R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.0928386678627182 +""", +) + +entry( + index = 3150, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_N-Sp-12R!H=11R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.00482808,'m^3/(mol*s)'), n=2.33418, w0=(301000,'J/mol'), E0=(65335.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0045934682244769135, var=0.14542339502002183, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_N-Sp-12R!H=11R!H_Ext-8R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_N-Sp-12R!H=11R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 0.7760354616199596"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_N-Sp-12R!H=11R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.7760354616199596""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_N-Sp-12R!H=11R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.7760354616199596 +""", +) + +entry( + index = 3151, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.00406,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(74431.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3152, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00192,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(71975.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3153, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00203,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(68873,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3154, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(1.97772,'m^3/(mol*s)'), n=1.82951, w0=(301000,'J/mol'), E0=(89177.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.004230801270045881, var=0.42623914522742234, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.3194614031759526"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.3194614031759526""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.3194614031759526 +""", +) + +entry( + index = 3155, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.0606793,'m^3/(mol*s)'), n=2.16963, w0=(301000,'J/mol'), E0=(70245.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-6.132598595458118e-06, var=0.09989686333091102, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 0.6336413002325609"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 0.6336413002325609""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 0.6336413002325609 +""", +) + +entry( + index = 3156, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000365127,'m^3/(mol*s)'), n=2.72744, w0=(301000,'J/mol'), E0=(63538.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=7.148396091537623e-06, var=0.10626252627182743, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H + Total Standard Deviation in ln(k): 0.6535201664055611"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 0.6535201664055611""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 0.6535201664055611 +""", +) + +entry( + index = 3157, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00839913,'m^3/(mol*s)'), n=2.38877, w0=(301000,'J/mol'), E0=(66646.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=2.2527695844336303e-05, var=0.10737254901192363, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H + Total Standard Deviation in ln(k): 0.6569631958860684"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 0.6569631958860684""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 0.6569631958860684 +""", +) + +entry( + index = 3158, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.00587,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(65228.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3159, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00277,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(64710.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3160, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00293,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(61135.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3161, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.00761,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(66515.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3162, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00359,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(65733.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3163, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(0.0038,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(62649.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3164, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.000370298,'m^3/(mol*s)'), n=2.93405, w0=(301000,'J/mol'), E0=(81579.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.02509004599655422, var=2.369565759777541, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 3.1490079891360607"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 3.1490079891360607""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 3.1490079891360607 +""", +) + +entry( + index = 3165, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(9.73755e-05,'m^3/(mol*s)'), n=2.9579, w0=(301000,'J/mol'), E0=(60860.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-2.2422210654777015e-05, var=0.09546072260098738, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 0.6194536946200898"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 0.6194536946200898""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 0.6194536946200898 +""", +) + +entry( + index = 3166, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(0.048123,'m^3/(mol*s)'), n=2.16336, w0=(301000,'J/mol'), E0=(73828.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0012979624342074867, var=0.5571493686208285, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 1.4996443675673197"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 1.4996443675673197""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 1.4996443675673197 +""", +) + +entry( + index = 3167, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.00553,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(62789,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3168, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.00716,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(64944.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3169, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.0061,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(75225.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3170, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.0079,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(74081.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3171, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00445,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(84906.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3172, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.0123,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(77391.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3173, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.059,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(74203.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3174, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.164,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(66267.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3175, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00619,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(53303,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3176, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00683,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(57493.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3177, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_Sp-9R!H-2R!H", + kinetics = ArrheniusBM(A=(0.00492,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(54032,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_Sp-9R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_Sp-9R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3178, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_N-Sp-9R!H-2R!H", + kinetics = ArrheniusBM(A=(0.00529,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(60287.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_N-Sp-9R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_N-Sp-9R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_N-Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_N-Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3179, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_Sp-9R!H-2R!H", + kinetics = ArrheniusBM(A=(0.00543,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(58263.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_Sp-9R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_Sp-9R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3180, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_N-Sp-9R!H-2R!H", + kinetics = ArrheniusBM(A=(0.00584,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(75047.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_N-Sp-9R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_N-Sp-9R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_N-Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_N-Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3181, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.000458644,'m^3/(mol*s)'), n=2.78811, w0=(301000,'J/mol'), E0=(81241.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.025007611798001744, var=2.463188116858445, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 3.2091741242258705"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 3.2091741242258705""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 3.2091741242258705 +""", +) + +entry( + index = 3182, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000125883,'m^3/(mol*s)'), n=2.81017, w0=(301000,'J/mol'), E0=(60331,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.0763483127016266e-05, var=0.09786287468614831, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H + Total Standard Deviation in ln(k): 0.6271691698180656"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 0.6271691698180656""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 0.6271691698180656 +""", +) + +entry( + index = 3183, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H", + kinetics = ArrheniusBM(A=(0.0651051,'m^3/(mol*s)'), n=2.00739, w0=(301000,'J/mol'), E0=(73403.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0011991185762969632, var=0.5757765696794939, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H + Total Standard Deviation in ln(k): 1.524204687785639"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 1.524204687785639""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 1.524204687785639 +""", +) + +entry( + index = 3184, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-12R!H=8R!H_Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.00189,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(59521.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-12R!H=8R!H_Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-12R!H=8R!H_Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-12R!H=8R!H_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-12R!H=8R!H_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3185, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-12R!H=8R!H_N-Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.00245,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(61740.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-12R!H=8R!H_N-Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-12R!H=8R!H_N-Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-12R!H=8R!H_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-12R!H=8R!H_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3186, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H_Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.00208,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(72238.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H_Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H_Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3187, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H_N-Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.0027,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(71089.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H_N-Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H_N-Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3188, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00152,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(82289.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3189, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00421,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(74701.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3190, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_N-Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(0.0202,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(71486.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_N-Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_N-Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_N-Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_N-Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3191, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_N-Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(0.0559,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(63440.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_N-Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_N-Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_N-Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_N-Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3192, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00211,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(49409.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3193, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00233,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(53858.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3194, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_Sp-10R!H-2R!H", + kinetics = ArrheniusBM(A=(0.00168,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(50071.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_Sp-10R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_Sp-10R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_Sp-10R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_Sp-10R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3195, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-Sp-10R!H-2R!H", + kinetics = ArrheniusBM(A=(0.00181,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(56526.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-Sp-10R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-Sp-10R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-Sp-10R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-Sp-10R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3196, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_Sp-10R!H-2R!H", + kinetics = ArrheniusBM(A=(0.00185,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(54607.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_Sp-10R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_Sp-10R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_Sp-10R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_Sp-10R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3197, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-Sp-10R!H-2R!H", + kinetics = ArrheniusBM(A=(0.00199,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(71723.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-Sp-10R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-Sp-10R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-Sp-10R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-Sp-10R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3198, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(0.000309,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(76895.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3199, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.000101,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(59970.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3200, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.000119,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(60729.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3201, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(5.01e-05,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(67374.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3202, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(6.78e-05,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(57767.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3203, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(8.80378e-18,'m^3/(mol*s)'), n=6.28374, w0=(301000,'J/mol'), E0=(14324.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.024015733901621407, var=2.8358882236656306, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R + Total Standard Deviation in ln(k): 3.436334090727736"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 3.436334090727736""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 3.436334090727736 +""", +) + +entry( + index = 3204, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000281,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(73306,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3205, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00038,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(65472.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3206, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(7.47464e-05,'m^3/(mol*s)'), n=2.4943, w0=(301000,'J/mol'), E0=(62245.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=8.746785976469247e-07, var=0.008752102376351387, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 0.1875505201630959"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 0.1875505201630959""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 0.1875505201630959 +""", +) + +entry( + index = 3207, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0185343,'m^3/(mol*s)'), n=1.8768, w0=(301000,'J/mol'), E0=(60570.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=6.669743731066594e-07, var=0.009240626892777966, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 0.19271320917211943"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 0.19271320917211943""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 0.19271320917211943 +""", +) + +entry( + index = 3208, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_4R!H-inRing_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(9.23e-05,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(61081.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_4R!H-inRing_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_4R!H-inRing_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3209, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.000108,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(60395.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3210, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.000125,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(52374.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3211, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.000146,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(51574.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3212, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_4R!H-inRing_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(7.24e-05,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(60971.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_4R!H-inRing_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_4R!H-inRing_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3213, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_4R!H-inRing_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(9.39e-05,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(60628.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_4R!H-inRing_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_4R!H-inRing_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3214, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_N-4R!H-inRing_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(9.79e-05,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(51549.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_N-4R!H-inRing_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_N-4R!H-inRing_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_N-4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_N-4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3215, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_N-4R!H-inRing_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.000127,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(51292.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_N-4R!H-inRing_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_N-4R!H-inRing_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_N-4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_N-4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3216, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.0182682,'m^3/(mol*s)'), n=1.92052, w0=(301000,'J/mol'), E0=(73712,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.01324193863332209, var=0.0982530471954446, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 0.6616622709923418"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.6616622709923418""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.6616622709923418 +""", +) + +entry( + index = 3217, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.000123,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(62258.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3218, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R_Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(5.81e-05,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(60034.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R_Sp-12R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R_Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3219, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R_N-Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(6.13e-05,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(57157.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R_N-Sp-12R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R_N-Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3220, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R", + kinetics = ArrheniusBM(A=(0.182965,'m^3/(mol*s)'), n=1.8149, w0=(301000,'J/mol'), E0=(82188,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.016379145592347627, var=0.33498269150504656, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R + Total Standard Deviation in ln(k): 1.2014479708905454"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R +Total Standard Deviation in ln(k): 1.2014479708905454""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R +Total Standard Deviation in ln(k): 1.2014479708905454 +""", +) + +entry( + index = 3221, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.0150154,'m^3/(mol*s)'), n=2.01444, w0=(301000,'J/mol'), E0=(64178.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.011876682905926113, var=0.0601962151967821, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 0.5217009990388863"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.5217009990388863""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.5217009990388863 +""", +) + +entry( + index = 3222, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.00019,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(55417,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3223, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.000222,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(55111.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3224, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.0893176,'m^3/(mol*s)'), n=1.74904, w0=(301000,'J/mol'), E0=(67032.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.01128099095965709, var=0.28308071310438604, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.094970110180066"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.094970110180066""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.094970110180066 +""", +) + +entry( + index = 3225, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.00316654,'m^3/(mol*s)'), n=2.20786, w0=(301000,'J/mol'), E0=(63390.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.004096050445563407, var=0.14881872129847282, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 0.7836588283005772"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.7836588283005772""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.7836588283005772 +""", +) + +entry( + index = 3226, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000123287,'m^3/(mol*s)'), n=2.47716, w0=(301000,'J/mol'), E0=(65130.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.031716676629234115, var=0.1506555775430198, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_4R!H-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 0.8578155507454716"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 0.8578155507454716""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 0.8578155507454716 +""", +) + +entry( + index = 3227, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0276925,'m^3/(mol*s)'), n=1.87238, w0=(301000,'J/mol'), E0=(63413,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.020473030571415186, var=0.15500565465809923, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 0.8407191612597433"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 0.8407191612597433""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 0.8407191612597433 +""", +) + +entry( + index = 3228, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_4R!H-inRing_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.0139541,'m^3/(mol*s)'), n=1.76389, w0=(301000,'J/mol'), E0=(66652.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03042769949704268, var=0.1547286966942183, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_4R!H-inRing_Ext-8R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_4R!H-inRing_Ext-8R!H-R + Total Standard Deviation in ln(k): 0.8650254504023851"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_4R!H-inRing_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.8650254504023851""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_4R!H-inRing_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.8650254504023851 +""", +) + +entry( + index = 3229, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_N-4R!H-inRing_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(6.0296,'m^3/(mol*s)'), n=1.07375, w0=(301000,'J/mol'), E0=(65125.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.02015313639930872, var=0.1460674002713986, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_N-4R!H-inRing_Ext-8R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_N-4R!H-inRing_Ext-8R!H-R + Total Standard Deviation in ln(k): 0.8168210104091221"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_N-4R!H-inRing_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.8168210104091221""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_N-4R!H-inRing_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.8168210104091221 +""", +) + +entry( + index = 3230, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R", + kinetics = ArrheniusBM(A=(1.4569e-14,'m^3/(mol*s)'), n=5.46982, w0=(301000,'J/mol'), E0=(11451.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2899363766944887, var=0.1866659679174433, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R + Total Standard Deviation in ln(k): 1.594626284447762"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R +Total Standard Deviation in ln(k): 1.594626284447762""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R +Total Standard Deviation in ln(k): 1.594626284447762 +""", +) + +entry( + index = 3231, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(9.89554e-05,'m^3/(mol*s)'), n=2.57377, w0=(301000,'J/mol'), E0=(55314.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.032281779468305634, var=0.10930833646040518, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 0.7439117264613874"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 0.7439117264613874""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 0.7439117264613874 +""", +) + +entry( + index = 3232, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0203882,'m^3/(mol*s)'), n=1.98007, w0=(301000,'J/mol'), E0=(53806.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.020691240381450343, var=0.1172793550432673, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 0.7385310893217435"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 0.7385310893217435""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 0.7385310893217435 +""", +) + +entry( + index = 3233, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.00023824,'m^3/(mol*s)'), n=2.42276, w0=(301000,'J/mol'), E0=(57682.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03595409727346597, var=0.3467354206565927, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_Sp-11R!H=10R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 1.2708100249220036"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 1.2708100249220036""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 1.2708100249220036 +""", +) + +entry( + index = 3234, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_N-Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(1.48998e-05,'m^3/(mol*s)'), n=2.80864, w0=(301000,'J/mol'), E0=(54356.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.030283365183188568, var=0.28078520339526053, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_N-Sp-11R!H=10R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_N-Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 1.1383813159066323"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 1.1383813159066323""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 1.1383813159066323 +""", +) + +entry( + index = 3235, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.0673216,'m^3/(mol*s)'), n=1.78799, w0=(301000,'J/mol'), E0=(56396.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.02364127546459651, var=0.36957601242125676, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_Sp-11R!H=10R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 1.278134048998279"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 1.278134048998279""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 1.278134048998279 +""", +) + +entry( + index = 3236, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_N-Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.00266121,'m^3/(mol*s)'), n=2.23134, w0=(301000,'J/mol'), E0=(52751.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.017175199403713606, var=0.30464324752936517, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_N-Sp-11R!H=10R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_N-Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 1.1496572051759668"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 1.1496572051759668""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 1.1496572051759668 +""", +) + +entry( + index = 3237, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.000342,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(48639.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3238, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000161,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(43051.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Sp-12R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3239, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_N-Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00017,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(39971.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_N-Sp-12R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_N-Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3240, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.000462,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(37535.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3241, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000218,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30999.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Sp-12R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3242, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_N-Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00023,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(27363.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_N-Sp-12R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_N-Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3243, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.000271,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(49546.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3244, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000128,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(45525.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3245, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000135,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(42512.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3246, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.000292,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(56015.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3247, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000138,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(55548.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3248, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000146,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(52221.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3249, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.000367,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(38337.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3250, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000173,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(33729.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3251, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000183,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30203.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3252, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.000394,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(45160.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3253, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000186,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(44668.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3254, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000197,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(41031.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3255, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R", + kinetics = ArrheniusBM(A=(0.000205402,'m^3/(mol*s)'), n=2.69096, w0=(301000,'J/mol'), E0=(74270.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08259418087569856, var=0.40129369433825574, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R + Total Standard Deviation in ln(k): 1.4774775555082176"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R +Total Standard Deviation in ln(k): 1.4774775555082176""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R +Total Standard Deviation in ln(k): 1.4774775555082176 +""", +) + +entry( + index = 3256, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(2.67185e-06,'m^3/(mol*s)'), n=3.09873, w0=(301000,'J/mol'), E0=(55805.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08545222835588263, var=0.46118709944257363, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.5761348697788182"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.5761348697788182""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.5761348697788182 +""", +) + +entry( + index = 3257, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.000305,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(56445.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3258, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.000357,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(57638.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3259, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000580751,'m^3/(mol*s)'), n=2.42149, w0=(301000,'J/mol'), E0=(59123.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-6.311045534253451e-05, var=0.10629580132084367, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 0.653763085430923"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 0.653763085430923""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 0.653763085430923 +""", +) + +entry( + index = 3260, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00977869,'m^3/(mol*s)'), n=2.0471, w0=(301000,'J/mol'), E0=(69828.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0001691571028765879, var=0.3014850240589725, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 1.1011779762831915"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 1.1011779762831915""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 1.1011779762831915 +""", +) + +entry( + index = 3261, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(2.71678e-22,'m^3/(mol*s)'), n=7.63664, w0=(289500,'J/mol'), E0=(7293.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.008865146260231143, var=6.3155590180122125, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 5.06032905153079"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 5.06032905153079""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 5.06032905153079 +""", +) + +entry( + index = 3262, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.000488618,'m^3/(mol*s)'), n=2.79063, w0=(289500,'J/mol'), E0=(65454,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.008777794741339216, var=6.602314593673266, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 5.173215434450126"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 5.173215434450126""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 5.173215434450126 +""", +) + +entry( + index = 3263, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.000909547,'m^3/(mol*s)'), n=2.35521, w0=(301000,'J/mol'), E0=(52376.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0005555874390271629, var=0.15398672412808567, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 0.7880768908234893"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.7880768908234893""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.7880768908234893 +""", +) + +entry( + index = 3264, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00329445,'m^3/(mol*s)'), n=2.20558, w0=(301000,'J/mol'), E0=(59541.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.000229567775405816, var=1.3611314216947759, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H + Total Standard Deviation in ln(k): 2.3394518439722156"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 2.3394518439722156""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 2.3394518439722156 +""", +) + +entry( + index = 3265, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H", + kinetics = ArrheniusBM(A=(5.49998e-06,'m^3/(mol*s)'), n=3.01341, w0=(301000,'J/mol'), E0=(60070.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.023761110584383304, var=6.993036019976102, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H + Total Standard Deviation in ln(k): 5.361092716977236"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 5.361092716977236""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 5.361092716977236 +""", +) + +entry( + index = 3266, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000199,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(60940.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3267, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000269,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(51962.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3268, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000219,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(62607.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3269, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000296,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(53953.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3270, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R", + kinetics = ArrheniusBM(A=(2.23353e-12,'m^3/(mol*s)'), n=4.89922, w0=(301000,'J/mol'), E0=(15060.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3461314915224316, var=0.39141954096941206, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R + Total Standard Deviation in ln(k): 2.123910165751985"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R +Total Standard Deviation in ln(k): 2.123910165751985""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R +Total Standard Deviation in ln(k): 2.123910165751985 +""", +) + +entry( + index = 3271, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(2.65865e-14,'m^3/(mol*s)'), n=5.33646, w0=(301000,'J/mol'), E0=(9343.38,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.30974139547758806, var=0.12538779089560306, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.4881241798224363"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.4881241798224363""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.4881241798224363 +""", +) + +entry( + index = 3272, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(4.07684e-05,'m^3/(mol*s)'), n=2.70305, w0=(301000,'J/mol'), E0=(55470.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.00020227818363747298, var=0.0013845222556605865, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 0.07510276288314548"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 0.07510276288314548""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 0.07510276288314548 +""", +) + +entry( + index = 3273, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00408552,'m^3/(mol*s)'), n=2.19626, w0=(301000,'J/mol'), E0=(53802.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.00019554070562249106, var=0.0010380978991808168, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 0.06508292360860801"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 0.06508292360860801""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 0.06508292360860801 +""", +) + +entry( + index = 3274, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(3.07845e-15,'m^3/(mol*s)'), n=5.58783, w0=(301000,'J/mol'), E0=(7005.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.21965774454880846, var=0.6186221783684595, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 2.1286789056747866"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 2.1286789056747866""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 2.1286789056747866 +""", +) + +entry( + index = 3275, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(3.1276e-14,'m^3/(mol*s)'), n=5.31165, w0=(301000,'J/mol'), E0=(12344.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2749494560839553, var=0.15393915376714173, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 1.4773871994673844"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 1.4773871994673844""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 1.4773871994673844 +""", +) + +entry( + index = 3276, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_4R!H-inRing_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.000218,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(56273.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_4R!H-inRing_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_4R!H-inRing_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3277, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_4R!H-inRing_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.000283,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(56275.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_4R!H-inRing_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_4R!H-inRing_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3278, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_N-4R!H-inRing_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.000295,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(47700.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_N-4R!H-inRing_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_N-4R!H-inRing_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_N-4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_N-4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3279, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_N-4R!H-inRing_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.000382,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(47722.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_N-4R!H-inRing_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_N-4R!H-inRing_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_N-4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_N-4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3280, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(3.33228e-18,'m^3/(mol*s)'), n=6.45773, w0=(289500,'J/mol'), E0=(1307.56,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.38354656627539313, var=0.9059683453610918, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 2.871839187693729"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.871839187693729""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.871839187693729 +""", +) + +entry( + index = 3281, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000865,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(69954,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3282, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00117,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(61319.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3283, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(4.07372e-16,'m^3/(mol*s)'), n=6.18155, w0=(289500,'J/mol'), E0=(7176.03,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.24311402654678127, var=2.9246110281727056, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 4.039235786353803"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 4.039235786353803""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 4.039235786353803 +""", +) + +entry( + index = 3284, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0115,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(62218.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3285, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0155,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(53378.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3286, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(2.73451e-06,'m^3/(mol*s)'), n=3.05646, w0=(301000,'J/mol'), E0=(39157.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.05702651985374236, var=1.4211539529346031, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 2.5331707380240944"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.5331707380240944""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.5331707380240944 +""", +) + +entry( + index = 3287, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000244,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(48228.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3288, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00033,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(37710.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3289, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H", + kinetics = ArrheniusBM(A=(4.09617e-05,'m^3/(mol*s)'), n=2.72819, w0=(301000,'J/mol'), E0=(47859.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.045872328036543335, var=1.8541985772057177, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H + Total Standard Deviation in ln(k): 2.845084018960265"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 2.845084018960265""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 2.845084018960265 +""", +) + +entry( + index = 3290, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H", + kinetics = ArrheniusBM(A=(3.52689e-20,'m^3/(mol*s)'), n=6.98594, w0=(301000,'J/mol'), E0=(-2140.57,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.344193994423491, var=3.035536819150586, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H + Total Standard Deviation in ln(k): 4.3576172629004954"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 4.3576172629004954""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 4.3576172629004954 +""", +) + +entry( + index = 3291, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_4R!H-inRing_Sp-9R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000194,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(51581.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_4R!H-inRing_Sp-9R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_4R!H-inRing_Sp-9R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_4R!H-inRing_Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_4R!H-inRing_Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3292, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_4R!H-inRing_N-Sp-9R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000209,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(58603.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_4R!H-inRing_N-Sp-9R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_4R!H-inRing_N-Sp-9R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_4R!H-inRing_N-Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_4R!H-inRing_N-Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3293, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_N-4R!H-inRing_Sp-9R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000262,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(41241.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_N-4R!H-inRing_Sp-9R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_N-4R!H-inRing_Sp-9R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_N-4R!H-inRing_Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_N-4R!H-inRing_Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3294, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_N-4R!H-inRing_N-Sp-9R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000282,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(48531.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_N-4R!H-inRing_N-Sp-9R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_N-4R!H-inRing_N-Sp-9R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_N-4R!H-inRing_N-Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_N-4R!H-inRing_N-Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3295, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_Ext-2R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0011,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_Ext-2R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_Ext-2R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3296, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_Ext-2R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00149,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(81136.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_Ext-2R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_Ext-2R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3297, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00189,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(70231.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3298, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00255,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(60550.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3299, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00523,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(63140.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3300, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00707,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(52994.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3301, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(0.00239,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(87105.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-1R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-1R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3302, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000785,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(70778.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3303, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000918,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(71545.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3304, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000313,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(73721.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3305, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000266,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(75540.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3306, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-12R!H-R_Ext-1R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00157,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(79158.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-12R!H-R_Ext-1R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-12R!H-R_Ext-1R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-12R!H-R_Ext-1R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-12R!H-R_Ext-1R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3307, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-12R!H-R_Ext-1R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00133,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(80679.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-12R!H-R_Ext-1R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-12R!H-R_Ext-1R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-12R!H-R_Ext-1R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-12R!H-R_Ext-1R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3308, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing_Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000514,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(64328,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing_Sp-11R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing_Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3309, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing_N-Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000601,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(65116.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing_N-Sp-11R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing_N-Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3310, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing_Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000435,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(66061.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing_Sp-11R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing_Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3311, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing_N-Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000509,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(66855,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing_N-Sp-11R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing_N-Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3312, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H_Ext-2R!H-R_N-1R!H-inRing_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00057,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(61574.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H_Ext-2R!H-R_N-1R!H-inRing_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H_Ext-2R!H-R_N-1R!H-inRing_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H_Ext-2R!H-R_N-1R!H-inRing_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H_Ext-2R!H-R_N-1R!H-inRing_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3313, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H_Ext-2R!H-R_N-1R!H-inRing_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000483,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(63523.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H_Ext-2R!H-R_N-1R!H-inRing_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H_Ext-2R!H-R_N-1R!H-inRing_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H_Ext-2R!H-R_N-1R!H-inRing_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H_Ext-2R!H-R_N-1R!H-inRing_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3314, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.000933184,'m^3/(mol*s)'), n=2.53239, w0=(301000,'J/mol'), E0=(77869.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.009368468556671672, var=0.09611125349692232, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 0.6450431261956863"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.6450431261956863""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.6450431261956863 +""", +) + +entry( + index = 3315, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.00095,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(73148.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3316, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Sp-11R!H=7R!H", + kinetics = ArrheniusBM(A=(0.000449,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(70965.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Sp-11R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Sp-11R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3317, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_N-Sp-11R!H=7R!H", + kinetics = ArrheniusBM(A=(0.000474,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(68211.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_N-Sp-11R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_N-Sp-11R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_N-Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_N-Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3318, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R", + kinetics = ArrheniusBM(A=(0.0145724,'m^3/(mol*s)'), n=2.37414, w0=(301000,'J/mol'), E0=(85719.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.017107767162467005, var=0.4167012859998277, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R + Total Standard Deviation in ln(k): 1.337089025554707"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R +Total Standard Deviation in ln(k): 1.337089025554707""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R +Total Standard Deviation in ln(k): 1.337089025554707 +""", +) + +entry( + index = 3319, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.000849436,'m^3/(mol*s)'), n=2.61317, w0=(301000,'J/mol'), E0=(68316.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.007963535597489614, var=0.05917564947300764, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 0.5076816525779615"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.5076816525779615""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.5076816525779615 +""", +) + +entry( + index = 3320, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.00147,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(66031.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3321, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.00172,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(67150.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3322, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.00337074,'m^3/(mol*s)'), n=2.39593, w0=(301000,'J/mol'), E0=(70578.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.006716515779018339, var=0.27901786117135025, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R + Total Standard Deviation in ln(k): 1.0758196630955295"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.0758196630955295""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.0758196630955295 +""", +) + +entry( + index = 3323, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.000216314,'m^3/(mol*s)'), n=2.78335, w0=(301000,'J/mol'), E0=(67701,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0003587896454878793, var=0.1559563291196369, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R + Total Standard Deviation in ln(k): 0.7925975559860085"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.7925975559860085""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.7925975559860085 +""", +) + +entry( + index = 3324, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(4.60444e-05,'m^3/(mol*s)'), n=2.83884, w0=(301000,'J/mol'), E0=(69100.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.016660679766483676, var=0.11016218734792782, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 0.7072464004800314"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.7072464004800314""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.7072464004800314 +""", +) + +entry( + index = 3325, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000586,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(69029.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3326, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000497,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(70777.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3327, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.0167192,'m^3/(mol*s)'), n=2.0156, w0=(301000,'J/mol'), E0=(73459.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0008067169259913221, var=0.2683377077537278, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.0405062221979668"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.0405062221979668""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.0405062221979668 +""", +) + +entry( + index = 3328, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Sp-11R!H=7R!H", + kinetics = ArrheniusBM(A=(0.000268646,'m^3/(mol*s)'), n=2.44739, w0=(301000,'J/mol'), E0=(67965.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0008197394153386962, var=0.2814585101585729, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Sp-11R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Sp-11R!H=7R!H + Total Standard Deviation in ln(k): 1.0656250009085018"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 1.0656250009085018""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 1.0656250009085018 +""", +) + +entry( + index = 3329, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_N-Sp-11R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00303955,'m^3/(mol*s)'), n=2.18732, w0=(301000,'J/mol'), E0=(70250.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0008255605136157809, var=0.28311341432957526, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_N-Sp-11R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_N-Sp-11R!H=7R!H + Total Standard Deviation in ln(k): 1.0687617904822437"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_N-Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 1.0687617904822437""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_N-Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 1.0687617904822437 +""", +) + +entry( + index = 3330, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R", + kinetics = ArrheniusBM(A=(6.61142e-15,'m^3/(mol*s)'), n=5.76729, w0=(301000,'J/mol'), E0=(13617.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.31812323748817023, var=0.14364578155831975, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R + Total Standard Deviation in ln(k): 1.5591118571499065"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R +Total Standard Deviation in ln(k): 1.5591118571499065""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R +Total Standard Deviation in ln(k): 1.5591118571499065 +""", +) + +entry( + index = 3331, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(4.4896e-05,'m^3/(mol*s)'), n=2.90926, w0=(301000,'J/mol'), E0=(59244.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.016890947983049718, var=0.08518304303663818, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 0.6275442381230047"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.6275442381230047""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.6275442381230047 +""", +) + +entry( + index = 3332, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(7.4691e-05,'m^3/(mol*s)'), n=2.80775, w0=(301000,'J/mol'), E0=(60936.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.00012426502821517602, var=0.0015337399558855561, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 0.07882364783245145"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 0.07882364783245145""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 0.07882364783245145 +""", +) + +entry( + index = 3333, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(2.51341e-05,'m^3/(mol*s)'), n=2.96508, w0=(301000,'J/mol'), E0=(63984.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.00012612755332013222, var=0.002028506623080455, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 0.09060805754511643"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 0.09060805754511643""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 0.09060805754511643 +""", +) + +entry( + index = 3334, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.000149578,'m^3/(mol*s)'), n=2.71642, w0=(301000,'J/mol'), E0=(61535.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.015566254025430264, var=0.19898778101913403, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R + Total Standard Deviation in ln(k): 0.9333843460153137"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.9333843460153137""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.9333843460153137 +""", +) + +entry( + index = 3335, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000847,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(62078.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3336, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000717,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(63779.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3337, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(1.69743e-05,'m^3/(mol*s)'), n=3.03036, w0=(301000,'J/mol'), E0=(58992.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.008122195036584045, var=0.13908133810731668, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R + Total Standard Deviation in ln(k): 0.7680456157173355"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.7680456157173355""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.7680456157173355 +""", +) + +entry( + index = 3338, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0011,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(63302.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3339, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00093,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(64930.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3340, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00213,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(55403,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3341, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00181,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(57423,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3342, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00101,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(51622.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3343, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000855,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(53668,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3344, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00107,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(48693.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3345, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000903,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(50821.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3346, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0017,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(56349.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3347, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00144,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(58346.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3348, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000802,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(52494.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3349, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00068,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(54602.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3350, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000847,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(49589.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3351, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000718,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(51696.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3352, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00182,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(61241.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3353, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00155,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(63230.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3354, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000862,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(62276.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3355, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000731,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(64285.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3356, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000911,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(58991.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3357, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000772,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(61036.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3358, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing", + kinetics = ArrheniusBM(A=(0.000180982,'m^3/(mol*s)'), n=2.69379, w0=(301000,'J/mol'), E0=(75313.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.014830591638159385, var=0.3157742464630213, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing + Total Standard Deviation in ln(k): 1.1637994892217667"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing +Total Standard Deviation in ln(k): 1.1637994892217667""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing +Total Standard Deviation in ln(k): 1.1637994892217667 +""", +) + +entry( + index = 3359, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing", + kinetics = ArrheniusBM(A=(1.01423e-06,'m^3/(mol*s)'), n=3.48131, w0=(301000,'J/mol'), E0=(64159.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07219971239764823, var=0.159286180428456, Tref=1000.0, N=15, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing',), comment="""BM rule fitted to 15 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing + Total Standard Deviation in ln(k): 0.9815095700375586"""), + rank = 11, + shortDesc = """BM rule fitted to 15 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing +Total Standard Deviation in ln(k): 0.9815095700375586""", + longDesc = +""" +BM rule fitted to 15 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing +Total Standard Deviation in ln(k): 0.9815095700375586 +""", +) + +entry( + index = 3360, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-2C-R", + kinetics = ArrheniusBM(A=(6.72328e-05,'m^3/(mol*s)'), n=2.91552, w0=(301000,'J/mol'), E0=(58676.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0013335113327987524, var=0.22920768657193505, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-2C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-2C-R + Total Standard Deviation in ln(k): 0.9631302712839601"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-2C-R +Total Standard Deviation in ln(k): 0.9631302712839601""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-2C-R +Total Standard Deviation in ln(k): 0.9631302712839601 +""", +) + +entry( + index = 3361, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(5.77132e-07,'m^3/(mol*s)'), n=3.52968, w0=(301000,'J/mol'), E0=(60870.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.055938114339066806, var=1.260614926038148, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-7R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-7R!H-R + Total Standard Deviation in ln(k): 2.3914066188933285"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 2.3914066188933285""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 2.3914066188933285 +""", +) + +entry( + index = 3362, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Sp-8R!H-2C", + kinetics = ArrheniusBM(A=(0.00185,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(63876.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Sp-8R!H-2C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Sp-8R!H-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Sp-8R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Sp-8R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3363, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_N-Sp-8R!H-2C", + kinetics = ArrheniusBM(A=(0.00199,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(70996,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_N-Sp-8R!H-2C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_N-Sp-8R!H-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_N-Sp-8R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_N-Sp-8R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3364, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_N-Sp-7R!H-1R!H_Ext-2C-R", + kinetics = ArrheniusBM(A=(0.0105,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_N-Sp-7R!H-1R!H_Ext-2C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_N-Sp-7R!H-1R!H_Ext-2C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_N-Sp-7R!H-1R!H_Ext-2C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_N-Sp-7R!H-1R!H_Ext-2C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3365, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00243,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(61091.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3366, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00268,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(64451.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3367, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(1.84896e-06,'m^3/(mol*s)'), n=3.27213, w0=(301000,'J/mol'), E0=(64062.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.013559105585503219, var=0.07061772575666911, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 0.5668063215601632"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.5668063215601632""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.5668063215601632 +""", +) + +entry( + index = 3368, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000943,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(69558.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3369, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000799,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(71230.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3370, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H", + kinetics = ArrheniusBM(A=(0.000173369,'m^3/(mol*s)'), n=2.56729, w0=(301000,'J/mol'), E0=(65227.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0009177604337026164, var=0.25472989843577437, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H + Total Standard Deviation in ln(k): 1.0141112322491643"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 1.0141112322491643""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 1.0141112322491643 +""", +) + +entry( + index = 3371, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H", + kinetics = ArrheniusBM(A=(2.04433e-05,'m^3/(mol*s)'), n=2.86486, w0=(301000,'J/mol'), E0=(65996,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0009996320506778416, var=0.2410354252939658, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H + Total Standard Deviation in ln(k): 0.9867435169906712"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 0.9867435169906712""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 0.9867435169906712 +""", +) + +entry( + index = 3372, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R", + kinetics = ArrheniusBM(A=(3.27147e-06,'m^3/(mol*s)'), n=3.37967, w0=(301000,'J/mol'), E0=(65457.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1823957524068074, var=0.26168139343416635, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R + Total Standard Deviation in ln(k): 1.4837990770683185"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 1.4837990770683185""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 1.4837990770683185 +""", +) + +entry( + index = 3373, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(5.43386e-08,'m^3/(mol*s)'), n=3.76052, w0=(301000,'J/mol'), E0=(50164.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08454320577068984, var=0.11005802235350019, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 0.8774908556264026"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.8774908556264026""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.8774908556264026 +""", +) + +entry( + index = 3374, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(3.83828e-05,'m^3/(mol*s)'), n=2.93194, w0=(301000,'J/mol'), E0=(58561.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.00018865818752568833, var=0.0012683101210933326, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 0.0718693312712761"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 0.0718693312712761""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 0.0718693312712761 +""", +) + +entry( + index = 3375, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(1.6009e-05,'m^3/(mol*s)'), n=3.05803, w0=(301000,'J/mol'), E0=(61594.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0001898095654013104, var=0.0013601903959590093, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 0.07441306001772227"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 0.07441306001772227""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 0.07441306001772227 +""", +) + +entry( + index = 3376, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H", + kinetics = ArrheniusBM(A=(5.71666e-06,'m^3/(mol*s)'), n=3.17338, w0=(301000,'J/mol'), E0=(54067.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.007533976265765199, var=0.07511250402305439, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H + Total Standard Deviation in ln(k): 0.5683605253645422"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 0.5683605253645422""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 0.5683605253645422 +""", +) + +entry( + index = 3377, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H", + kinetics = ArrheniusBM(A=(8.06078e-05,'m^3/(mol*s)'), n=2.82847, w0=(301000,'J/mol'), E0=(62781.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.01161533876296256, var=0.14340853750406926, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H + Total Standard Deviation in ln(k): 0.7883638039773918"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 0.7883638039773918""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 0.7883638039773918 +""", +) + +entry( + index = 3378, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-9R!H=8R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00136,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(62337.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-9R!H=8R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-9R!H=8R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-9R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-9R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3379, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-9R!H=8R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00115,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(63957.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-9R!H=8R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-9R!H=8R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-9R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-9R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3380, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-9R!H=8R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00177,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(62325.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-9R!H=8R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-9R!H=8R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-9R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-9R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3381, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-9R!H=8R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0015,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(63886.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-9R!H=8R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-9R!H=8R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-9R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-9R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3382, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_Ext-7R!H-R_Sp-10R!H=7R!H", + kinetics = ArrheniusBM(A=(3.85427e-06,'m^3/(mol*s)'), n=3.2052, w0=(301000,'J/mol'), E0=(48688.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0007299348292337124, var=0.3155069451650793, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_Ext-7R!H-R_Sp-10R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_Ext-7R!H-R_Sp-10R!H=7R!H + Total Standard Deviation in ln(k): 1.1278937985243562"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_Ext-7R!H-R_Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 1.1278937985243562""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_Ext-7R!H-R_Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 1.1278937985243562 +""", +) + +entry( + index = 3383, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_Ext-7R!H-R_N-Sp-10R!H=7R!H", + kinetics = ArrheniusBM(A=(1.30955e-06,'m^3/(mol*s)'), n=3.35923, w0=(301000,'J/mol'), E0=(49866.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0008513749273722456, var=0.28400020203680404, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_Ext-7R!H-R_N-Sp-10R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_Ext-7R!H-R_N-Sp-10R!H=7R!H + Total Standard Deviation in ln(k): 1.0704959214441"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_Ext-7R!H-R_N-Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 1.0704959214441""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_Ext-7R!H-R_N-Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 1.0704959214441 +""", +) + +entry( + index = 3384, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_Sp-8R!H-2R!H", + kinetics = ArrheniusBM(A=(1.25819e-05,'m^3/(mol*s)'), n=3.03757, w0=(301000,'J/mol'), E0=(51895.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0006771882320603047, var=0.3240332798052767, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_Sp-8R!H-2R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_Sp-8R!H-2R!H + Total Standard Deviation in ln(k): 1.1428752925093342"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 1.1428752925093342""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 1.1428752925093342 +""", +) + +entry( + index = 3385, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_N-Sp-8R!H-2R!H", + kinetics = ArrheniusBM(A=(2.2773e-06,'m^3/(mol*s)'), n=3.32429, w0=(301000,'J/mol'), E0=(59053,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0006276784800602165, var=0.3033261618883024, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_N-Sp-8R!H-2R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_N-Sp-8R!H-2R!H + Total Standard Deviation in ln(k): 1.1056860163719453"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_N-Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 1.1056860163719453""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_N-Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 1.1056860163719453 +""", +) + +entry( + index = 3386, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_Sp-8R!H-2R!H", + kinetics = ArrheniusBM(A=(3.75633e-06,'m^3/(mol*s)'), n=3.20701, w0=(301000,'J/mol'), E0=(52983.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0008215309531561808, var=0.2968057703748198, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_Sp-8R!H-2R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_Sp-8R!H-2R!H + Total Standard Deviation in ln(k): 1.094241482325226"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 1.094241482325226""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 1.094241482325226 +""", +) + +entry( + index = 3387, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_N-Sp-8R!H-2R!H", + kinetics = ArrheniusBM(A=(1.79645e-05,'m^3/(mol*s)'), n=3.07607, w0=(301000,'J/mol'), E0=(71746.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0008218696477100587, var=0.2690268015890189, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_N-Sp-8R!H-2R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_N-Sp-8R!H-2R!H + Total Standard Deviation in ln(k): 1.0418768518560833"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_N-Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 1.0418768518560833""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_N-Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 1.0418768518560833 +""", +) + +entry( + index = 3388, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00587,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(82842.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3389, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00543,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(82336.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3390, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0163,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(76486.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3391, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.015,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(75962.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3392, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0779,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(73654.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3393, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.072,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(73136.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3394, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.216,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(67149.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3395, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.2,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(66710.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3396, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00275,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(84856.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3397, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(2.21665e-05,'m^3/(mol*s)'), n=2.98121, w0=(301000,'J/mol'), E0=(79907,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0002569776860711104, var=0.04543131765742219, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.42794740726241515"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.42794740726241515""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.42794740726241515 +""", +) + +entry( + index = 3398, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000601,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(78361.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3399, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000555,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(79070.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3400, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00143,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(80288.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3401, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00132,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(80860.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3402, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_N-1R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000675,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(77444.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_N-1R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_N-1R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_N-1R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_N-1R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3403, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_N-1R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000624,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(78065.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_N-1R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_N-1R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_N-1R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_N-1R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3404, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(0.00754145,'m^3/(mol*s)'), n=2.47683, w0=(301000,'J/mol'), E0=(90211.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.05111915492389776, var=0.01111034153604017, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R + Total Standard Deviation in ln(k): 0.33975040116658406"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 0.33975040116658406""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 0.33975040116658406 +""", +) + +entry( + index = 3405, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0154,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(89911.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Sp-5R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3406, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(2.11588e-16,'m^3/(mol*s)'), n=6.28131, w0=(301000,'J/mol'), E0=(21465,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=4.003104466525356, var=0.0004883645118336293, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 10.102354005431764"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 10.102354005431764""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 10.102354005431764 +""", +) + +entry( + index = 3407, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.000139085,'m^3/(mol*s)'), n=2.91737, w0=(301000,'J/mol'), E0=(76139,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-6.0212483484491916e-05, var=0.07376547448775528, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-5R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.5446333284586511"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.5446333284586511""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.5446333284586511 +""", +) + +entry( + index = 3408, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(7.3004e-06,'m^3/(mol*s)'), n=3.18814, w0=(301000,'J/mol'), E0=(69078.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.013796631927458369, var=0.03239242658472699, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.3954750416641091"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.3954750416641091""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.3954750416641091 +""", +) + +entry( + index = 3409, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-10R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00506,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(76391.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-10R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-10R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3410, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-10R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00591,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(76923.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-10R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-10R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3411, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H", + kinetics = ArrheniusBM(A=(2.93683e-05,'m^3/(mol*s)'), n=2.99, w0=(301000,'J/mol'), E0=(68150.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0002785060352365688, var=0.03645593094052872, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H + Total Standard Deviation in ln(k): 0.3834725787167839"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 0.3834725787167839""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 0.3834725787167839 +""", +) + +entry( + index = 3412, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H", + kinetics = ArrheniusBM(A=(7.05262e-06,'m^3/(mol*s)'), n=3.21414, w0=(301000,'J/mol'), E0=(68434.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.00027836185950518797, var=0.037197603007225695, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H + Total Standard Deviation in ln(k): 0.3873462432984313"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 0.3873462432984313""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 0.3873462432984313 +""", +) + +entry( + index = 3413, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Sp-10R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00397,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(77136.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Sp-10R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Sp-10R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3414, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_N-Sp-10R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00515,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(78197.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_N-Sp-10R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_N-Sp-10R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_N-Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_N-Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3415, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H", + kinetics = ArrheniusBM(A=(0.000190073,'m^3/(mol*s)'), n=2.73656, w0=(301000,'J/mol'), E0=(72841.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0003031987187487133, var=0.04930205107580759, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H + Total Standard Deviation in ln(k): 0.44589448920543784"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 0.44589448920543784""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 0.44589448920543784 +""", +) + +entry( + index = 3416, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H", + kinetics = ArrheniusBM(A=(6.63929e-06,'m^3/(mol*s)'), n=3.20051, w0=(301000,'J/mol'), E0=(70089.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.00028095665988396877, var=0.043590694352641915, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H + Total Standard Deviation in ln(k): 0.4192622209354798"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 0.4192622209354798""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 0.4192622209354798 +""", +) + +entry( + index = 3417, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00207,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(72529.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3418, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00191,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(73053.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3419, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00268,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(72960.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3420, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00248,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(73509.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3421, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00206,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(65349.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3422, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00191,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(66346.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3423, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-1R!H-inRing_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00164,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(66285.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-1R!H-inRing_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-1R!H-inRing_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-1R!H-inRing_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-1R!H-inRing_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3424, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-1R!H-inRing_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00152,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(67257.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-1R!H-inRing_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-1R!H-inRing_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-1R!H-inRing_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-1R!H-inRing_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3425, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00232,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(66600.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3426, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00214,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(67431.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3427, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-1R!H-inRing_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00184,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(69121.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-1R!H-inRing_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-1R!H-inRing_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-1R!H-inRing_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-1R!H-inRing_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3428, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-1R!H-inRing_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0017,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(69989,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-1R!H-inRing_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-1R!H-inRing_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-1R!H-inRing_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-1R!H-inRing_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3429, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.000926715,'m^3/(mol*s)'), n=2.7243, w0=(301000,'J/mol'), E0=(80452,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.01599677615191755, var=0.4057926798489892, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 1.3172464106889366"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.3172464106889366""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.3172464106889366 +""", +) + +entry( + index = 3430, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(2.97827e-05,'m^3/(mol*s)'), n=3.05567, w0=(301000,'J/mol'), E0=(72825.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.025398488687671156, var=0.23974356706574962, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 1.0454060789954998"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.0454060789954998""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.0454060789954998 +""", +) + +entry( + index = 3431, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.206029,'m^3/(mol*s)'), n=1.92598, w0=(301000,'J/mol'), E0=(81782.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.006678219003009186, var=0.24952730787421898, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-6R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-6R!H-R + Total Standard Deviation in ln(k): 1.018198912585227"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 1.018198912585227""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 1.018198912585227 +""", +) + +entry( + index = 3432, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.00629602,'m^3/(mol*s)'), n=2.26798, w0=(301000,'J/mol'), E0=(74725.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.010445934604702434, var=0.14175730930878297, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R + Total Standard Deviation in ln(k): 0.7810422929181923"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 0.7810422929181923""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 0.7810422929181923 +""", +) + +entry( + index = 3433, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00112,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(76294.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3434, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00104,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(76886.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3435, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R", + kinetics = ArrheniusBM(A=(0.00177494,'m^3/(mol*s)'), n=2.77154, w0=(301000,'J/mol'), E0=(80012.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03326049211626441, var=0.2594024043013743, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R + Total Standard Deviation in ln(k): 1.1046119714859528"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 1.1046119714859528""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 1.1046119714859528 +""", +) + +entry( + index = 3436, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.000207659,'m^3/(mol*s)'), n=2.97975, w0=(301000,'J/mol'), E0=(69414.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.019398323773824507, var=0.2583581015229992, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 1.0677250717114086"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.0677250717114086""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.0677250717114086 +""", +) + +entry( + index = 3437, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(7.8077e-06,'m^3/(mol*s)'), n=3.28956, w0=(301000,'J/mol'), E0=(61483.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03057733140240373, var=0.19288663246323626, Tref=1000.0, N=16, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 16 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.9572842717535935"""), + rank = 11, + shortDesc = """BM rule fitted to 16 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.9572842717535935""", + longDesc = +""" +BM rule fitted to 16 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.9572842717535935 +""", +) + +entry( + index = 3438, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000792696,'m^3/(mol*s)'), n=2.76788, w0=(301000,'J/mol'), E0=(71009.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.025787036156237033, var=0.6354858889597093, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-9R!H=8R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 1.6629136033916205"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 1.6629136033916205""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 1.6629136033916205 +""", +) + +entry( + index = 3439, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(5.85086e-05,'m^3/(mol*s)'), n=3.1367, w0=(301000,'J/mol'), E0=(69096.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.021715895634396954, var=0.6127594638207764, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 1.6238482007562067"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 1.6238482007562067""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 1.6238482007562067 +""", +) + +entry( + index = 3440, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(1.55015e-05,'m^3/(mol*s)'), n=3.16152, w0=(301000,'J/mol'), E0=(62582.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04301773978163657, var=0.35503316832760323, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 1.3025993490426515"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 1.3025993490426515""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 1.3025993490426515 +""", +) + +entry( + index = 3441, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(1.7492e-06,'m^3/(mol*s)'), n=3.4746, w0=(301000,'J/mol'), E0=(60737.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04027482715806146, var=0.33739041077460163, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 1.26564976756923"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 1.26564976756923""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 1.26564976756923 +""", +) + +entry( + index = 3442, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.0187,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(64413.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3443, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00885,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(62071.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3444, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00934,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(59079.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3445, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.00211783,'m^3/(mol*s)'), n=2.60398, w0=(301000,'J/mol'), E0=(60724.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0002490727355682957, var=0.06903643752321992, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 0.5273656607763179"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.5273656607763179""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.5273656607763179 +""", +) + +entry( + index = 3446, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H", + kinetics = ArrheniusBM(A=(1.99992e-05,'m^3/(mol*s)'), n=3.10373, w0=(301000,'J/mol'), E0=(54650.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.00024590295593856376, var=0.07601744856769445, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H + Total Standard Deviation in ln(k): 0.5533486062735207"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H +Total Standard Deviation in ln(k): 0.5533486062735207""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H +Total Standard Deviation in ln(k): 0.5533486062735207 +""", +) + +entry( + index = 3447, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00027096,'m^3/(mol*s)'), n=2.82625, w0=(301000,'J/mol'), E0=(57181.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.00022150881814217633, var=0.0760235681758119, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H + Total Standard Deviation in ln(k): 0.5533095621752101"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H +Total Standard Deviation in ln(k): 0.5533095621752101""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H +Total Standard Deviation in ln(k): 0.5533095621752101 +""", +) + +entry( + index = 3448, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.0149,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(65314.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3449, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00703,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(62915.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3450, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00743,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(59949.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3451, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.016,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(70237.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3452, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00756,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(71333,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3453, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00798,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(67988.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3454, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.00755752,'m^3/(mol*s)'), n=2.42531, w0=(301000,'J/mol'), E0=(63962.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.00024490486385253475, var=0.07415559850124114, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 0.5465352841178246"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.5465352841178246""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.5465352841178246 +""", +) + +entry( + index = 3455, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H", + kinetics = ArrheniusBM(A=(7.01784e-05,'m^3/(mol*s)'), n=2.9274, w0=(301000,'J/mol'), E0=(57873.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.00021853116648348927, var=0.0749378617134401, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H + Total Standard Deviation in ln(k): 0.5493409038816762"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 0.5493409038816762""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 0.5493409038816762 +""", +) + +entry( + index = 3456, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H", + kinetics = ArrheniusBM(A=(0.000994049,'m^3/(mol*s)'), n=2.64489, w0=(301000,'J/mol'), E0=(60452.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0002111283919825269, var=0.08147988528052504, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H + Total Standard Deviation in ln(k): 0.572775719924286"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 0.572775719924286""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 0.572775719924286 +""", +) + +entry( + index = 3457, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.000684438,'m^3/(mol*s)'), n=2.8057, w0=(301000,'J/mol'), E0=(70104.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.00023129226096345882, var=0.07369833363426084, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 0.5448153287352814"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.5448153287352814""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.5448153287352814 +""", +) + +entry( + index = 3458, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H", + kinetics = ArrheniusBM(A=(7.41301e-06,'m^3/(mol*s)'), n=3.28015, w0=(301000,'J/mol'), E0=(66937.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0002294704478157707, var=0.06896208674021218, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H + Total Standard Deviation in ln(k): 0.5270326885477175"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 0.5270326885477175""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 0.5270326885477175 +""", +) + +entry( + index = 3459, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H", + kinetics = ArrheniusBM(A=(0.000277408,'m^3/(mol*s)'), n=2.87054, w0=(301000,'J/mol'), E0=(69948.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.00022018957324780394, var=0.07134537113709429, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H + Total Standard Deviation in ln(k): 0.5360290916865277"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 0.5360290916865277""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 0.5360290916865277 +""", +) + +entry( + index = 3460, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00687,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(63014.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3461, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00635,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(63975.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3462, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-8R!H=6R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00325,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(62289.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-8R!H=6R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-8R!H=6R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-8R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-8R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3463, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-8R!H=6R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.003,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(63217.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-8R!H=6R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-8R!H=6R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-8R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-8R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3464, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00343,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(59429,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3465, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00317,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(60430.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3466, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(8.77582e-06,'m^3/(mol*s)'), n=3.28362, w0=(301000,'J/mol'), E0=(69546.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.008215422831496793, var=0.022424569309976897, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 0.32084754251007386"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 0.32084754251007386""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 0.32084754251007386 +""", +) + +entry( + index = 3467, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00827,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(81337.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3468, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(3.1122e-05,'m^3/(mol*s)'), n=3.06917, w0=(301000,'J/mol'), E0=(74057.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0002613521717167456, var=0.03555426479498855, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.37866627357642324"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.37866627357642324""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.37866627357642324 +""", +) + +entry( + index = 3469, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00205715,'m^3/(mol*s)'), n=2.54031, w0=(301000,'J/mol'), E0=(75667.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0032443546381210604, var=0.1069239932013067, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.6636846673865103"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.6636846673865103""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.6636846673865103 +""", +) + +entry( + index = 3470, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.000103503,'m^3/(mol*s)'), n=2.82025, w0=(301000,'J/mol'), E0=(68416.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.02359297026875551, var=0.026371770488387083, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.3848355164167129"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.3848355164167129""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.3848355164167129 +""", +) + +entry( + index = 3471, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00181,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(75649.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3472, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00167,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(76164.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3473, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(4.91394e-05,'m^3/(mol*s)'), n=3.25337, w0=(301000,'J/mol'), E0=(73908.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.059252398849691114, var=0.14404691285627702, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 0.9097427568001141"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 0.9097427568001141""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 0.9097427568001141 +""", +) + +entry( + index = 3474, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(7.77143e-07,'m^3/(mol*s)'), n=3.63665, w0=(301000,'J/mol'), E0=(57611.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06626433696119272, var=0.08934771757621186, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 0.7657304464793612"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 0.7657304464793612""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 0.7657304464793612 +""", +) + +entry( + index = 3475, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.000165273,'m^3/(mol*s)'), n=3.02767, w0=(301000,'J/mol'), E0=(70744.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-5.733921215788591e-05, var=0.0641229443271256, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.5077932813361432"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.5077932813361432""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.5077932813361432 +""", +) + +entry( + index = 3476, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(1.52395e-05,'m^3/(mol*s)'), n=3.22465, w0=(301000,'J/mol'), E0=(63040.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.008971736193817234, var=0.023754487317777066, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.33152166044266057"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.33152166044266057""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.33152166044266057 +""", +) + +entry( + index = 3477, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(7.93336e-07,'m^3/(mol*s)'), n=3.67886, w0=(301000,'J/mol'), E0=(61346.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07848646252770378, var=0.3916792624394898, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 1.4518512647387125"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.4518512647387125""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.4518512647387125 +""", +) + +entry( + index = 3478, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(1.95307e-08,'m^3/(mol*s)'), n=4.04424, w0=(301000,'J/mol'), E0=(51394.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10651169610577159, var=0.1435423749826361, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 1.0271510360307943"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.0271510360307943""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.0271510360307943 +""", +) + +entry( + index = 3479, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-5R!H=4R!H_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.0119,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(73027.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-5R!H=4R!H_Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-5R!H=4R!H_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-5R!H=4R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-5R!H=4R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3480, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-5R!H=4R!H_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.0155,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(74374.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-5R!H=4R!H_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-5R!H=4R!H_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-5R!H=4R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-5R!H=4R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3481, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(9.43451e-05,'m^3/(mol*s)'), n=2.96329, w0=(301000,'J/mol'), E0=(65625.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.00027760766766343677, var=0.03220960113578442, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_Sp-8R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 0.36048798257730946"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 0.36048798257730946""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 0.36048798257730946 +""", +) + +entry( + index = 3482, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(1.80867e-05,'m^3/(mol*s)'), n=3.20349, w0=(301000,'J/mol'), E0=(64321.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.00029213373422462205, var=0.03234784506110082, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 0.36129576565999605"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 0.36129576565999605""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 0.36129576565999605 +""", +) + +entry( + index = 3483, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(7.90148e-05,'m^3/(mol*s)'), n=3.10111, w0=(301000,'J/mol'), E0=(58224.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.001513662673725163, var=0.09463173936513952, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.6205052348381896"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.6205052348381896""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.6205052348381896 +""", +) + +entry( + index = 3484, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(4.35398e-06,'m^3/(mol*s)'), n=3.37149, w0=(301000,'J/mol'), E0=(52217.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.006341746564585363, var=0.02878527777151461, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.3560618927776647"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.3560618927776647""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.3560618927776647 +""", +) + +entry( + index = 3485, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00621,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(62632,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3486, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00574,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(63395.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3487, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-8R!H=6R!H", + kinetics = ArrheniusBM(A=(0.000233688,'m^3/(mol*s)'), n=2.97385, w0=(301000,'J/mol'), E0=(64403.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.000908281355171976, var=0.7165543423701334, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-8R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-8R!H=6R!H + Total Standard Deviation in ln(k): 1.6992809932703121"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-8R!H=6R!H +Total Standard Deviation in ln(k): 1.6992809932703121""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-8R!H=6R!H +Total Standard Deviation in ln(k): 1.6992809932703121 +""", +) + +entry( + index = 3488, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H=6R!H", + kinetics = ArrheniusBM(A=(5.31626e-07,'m^3/(mol*s)'), n=3.74601, w0=(301000,'J/mol'), E0=(64661.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.022624247087811005, var=5.182308359339743, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H=6R!H + Total Standard Deviation in ln(k): 4.620560888565252"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H=6R!H +Total Standard Deviation in ln(k): 4.620560888565252""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H=6R!H +Total Standard Deviation in ln(k): 4.620560888565252 +""", +) + +entry( + index = 3489, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=6R!H", + kinetics = ArrheniusBM(A=(7.45242e-06,'m^3/(mol*s)'), n=3.30995, w0=(301000,'J/mol'), E0=(58045.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.011962528369676897, var=0.21590532386836764, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=6R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=6R!H + Total Standard Deviation in ln(k): 0.9615690568670826"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=6R!H +Total Standard Deviation in ln(k): 0.9615690568670826""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=6R!H +Total Standard Deviation in ln(k): 0.9615690568670826 +""", +) + +entry( + index = 3490, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=6R!H", + kinetics = ArrheniusBM(A=(1.13349e-20,'m^3/(mol*s)'), n=7.51492, w0=(301000,'J/mol'), E0=(12818.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.28291708820190603, var=0.8171609235708374, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=6R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=6R!H + Total Standard Deviation in ln(k): 2.5230663947200918"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=6R!H +Total Standard Deviation in ln(k): 2.5230663947200918""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=6R!H +Total Standard Deviation in ln(k): 2.5230663947200918 +""", +) + +entry( + index = 3491, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-2R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00493,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(64482.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-2R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-2R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-2R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-2R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3492, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-2R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00456,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(65252.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-2R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-2R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-2R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-2R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3493, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-2R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0053,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(70027.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-2R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-2R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-2R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-2R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3494, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-2R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0049,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(70791.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-2R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-2R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-2R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-2R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3495, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.028,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3496, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0259,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3497, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-7R!H-6R!H", + kinetics = ArrheniusBM(A=(6.1e-06,'m^3/(mol*s)'), n=3.06, w0=(301000,'J/mol'), E0=(62440.1,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-7R!H-6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-7R!H-6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-7R!H-6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-7R!H-6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3498, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-7R!H-6R!H", + kinetics = ArrheniusBM(A=(0.000169213,'m^3/(mol*s)'), n=3.02408, w0=(301000,'J/mol'), E0=(64567.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0018325506160517078, var=0.16904094111088305, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-7R!H-6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-7R!H-6R!H + Total Standard Deviation in ln(k): 0.8288429818684133"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-7R!H-6R!H +Total Standard Deviation in ln(k): 0.8288429818684133""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-7R!H-6R!H +Total Standard Deviation in ln(k): 0.8288429818684133 +""", +) + +entry( + index = 3499, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(2.17125e-05,'m^3/(mol*s)'), n=3.17229, w0=(301000,'J/mol'), E0=(57902.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.00027172259359493775, var=0.06472825562940362, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-7R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 0.5107223724518315"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 0.5107223724518315""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 0.5107223724518315 +""", +) + +entry( + index = 3500, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(7.36976e-06,'m^3/(mol*s)'), n=3.3305, w0=(301000,'J/mol'), E0=(59811.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.00029933659778651965, var=0.05543160403665069, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 0.4727452700875055"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 0.4727452700875055""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 0.4727452700875055 +""", +) + +entry( + index = 3501, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-5R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-6R!H-R_Ext-10R!H-R", + kinetics = ArrheniusBM(A=(8.31754e-07,'m^3/(mol*s)'), n=3.26229, w0=(301000,'J/mol'), E0=(61943.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=5.521753519720693e-15, var=0.027889330374614527, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-5R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-6R!H-R_Ext-10R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-5R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-6R!H-R_Ext-10R!H-R + Total Standard Deviation in ln(k): 0.3347927408937474"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-5R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-6R!H-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 0.3347927408937474""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-5R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-6R!H-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 0.3347927408937474 +""", +) + +entry( + index = 3502, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_N-2R!H->O_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-10R!H-R", + kinetics = ArrheniusBM(A=(8.95e-06,'m^3/(mol*s)'), n=3.012, w0=(301000,'J/mol'), E0=(62117.5,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_N-2R!H->O_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-10R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_N-2R!H->O_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-10R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_N-2R!H->O_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_N-2R!H->O_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3503, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0861,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-5R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3504, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(1.03498e-10,'m^3/(mol*s)'), n=4.86516, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=2.5387420872906903, var=0.0004658818381396292, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 6.422019758554799"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 6.422019758554799""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 6.422019758554799 +""", +) + +entry( + index = 3505, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.0282,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(69010.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3506, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.033,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(68867.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3507, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(4.11443e-05,'m^3/(mol*s)'), n=3.15376, w0=(301000,'J/mol'), E0=(56906.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.00021721683772210314, var=0.02305525575597586, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-7R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 0.30494388793765337"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 0.30494388793765337""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 0.30494388793765337 +""", +) + +entry( + index = 3508, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.000104635,'m^3/(mol*s)'), n=3.08396, w0=(301000,'J/mol'), E0=(59847.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.00023258011096207094, var=0.02225366833010691, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 0.29964400437951805"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 0.29964400437951805""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 0.29964400437951805 +""", +) + +entry( + index = 3509, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_N-Sp-5R!H=4R!H_Sp-7R!H=6R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0115,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(62188.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_N-Sp-5R!H=4R!H_Sp-7R!H=6R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_N-Sp-5R!H=4R!H_Sp-7R!H=6R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_N-Sp-5R!H=4R!H_Sp-7R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_N-Sp-5R!H=4R!H_Sp-7R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3510, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_N-Sp-5R!H=4R!H_Sp-7R!H=6R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0107,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(62526,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_N-Sp-5R!H=4R!H_Sp-7R!H=6R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_N-Sp-5R!H=4R!H_Sp-7R!H=6R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_N-Sp-5R!H=4R!H_Sp-7R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_N-Sp-5R!H=4R!H_Sp-7R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3511, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H=6R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.015,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(63271.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H=6R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H=6R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3512, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H=6R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0138,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(63619.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H=6R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H=6R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3513, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.000157,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(52967.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R_Ext-2R!H-R_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3514, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R_N-1R!H-inRing_Ext-3R-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(7.41e-05,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(51732.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R_N-1R!H-inRing_Ext-3R-R_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R_N-1R!H-inRing_Ext-3R-R_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R_N-1R!H-inRing_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R_N-1R!H-inRing_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3515, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.000176,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(53706.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3516, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-1R!H-R_Ext-3R-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.000785,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-1R!H-R_Ext-3R-R_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-1R!H-R_Ext-3R-R_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-1R!H-R_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-1R!H-R_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3517, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_Ext-3R-R_Ext-3R-R_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.000258,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(43322.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_Ext-3R-R_Ext-3R-R_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_Ext-3R-R_Ext-3R-R_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_Ext-3R-R_Ext-3R-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_Ext-3R-R_Ext-3R-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3518, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.000301,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(43218.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3519, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.00195065,'m^3/(mol*s)'), n=2.31815, w0=(301000,'J/mol'), E0=(54373.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0162175683540493, var=0.0839410788799051, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 0.6215712705977754"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.6215712705977754""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.6215712705977754 +""", +) + +entry( + index = 3520, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.000893,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(59255.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3521, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000422,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(56453.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3522, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000446,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(53935.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3523, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.000312,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(46379.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3524, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000147,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(43520.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3525, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000156,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(41041.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3526, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3R-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.025466,'m^3/(mol*s)'), n=2.14954, w0=(301000,'J/mol'), E0=(52381.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.01488404655011203, var=0.24545164610768994, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3R-R_Ext-3R-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3R-R_Ext-3R-R + Total Standard Deviation in ln(k): 1.0306045413731222"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 1.0306045413731222""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 1.0306045413731222 +""", +) + +entry( + index = 3527, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3R-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.0151894,'m^3/(mol*s)'), n=2.25611, w0=(301000,'J/mol'), E0=(61957.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08643199678304885, var=0.3204697536672033, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3R-R_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3R-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.352047311022153"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3R-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.352047311022153""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3R-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.352047311022153 +""", +) + +entry( + index = 3528, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.00556,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3529, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R_Sp-11R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00263,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R_Sp-11R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R_Sp-11R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R_Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R_Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3530, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R_N-Sp-11R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00278,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R_N-Sp-11R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R_N-Sp-11R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R_N-Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R_N-Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3531, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.00323783,'m^3/(mol*s)'), n=2.31233, w0=(301000,'J/mol'), E0=(43431.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0015099336500217486, var=0.0763214651681106, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 0.557628728051079"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.557628728051079""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.557628728051079 +""", +) + +entry( + index = 3532, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.000482,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(34270.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3533, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.000563,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(34653.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3534, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.00059325,'m^3/(mol*s)'), n=2.58782, w0=(301000,'J/mol'), E0=(51761.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.00016903727008509798, var=0.03811284457875272, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 0.39179934792032833"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 0.39179934792032833""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 0.39179934792032833 +""", +) + +entry( + index = 3535, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H", + kinetics = ArrheniusBM(A=(8.58902e-05,'m^3/(mol*s)'), n=2.74437, w0=(301000,'J/mol'), E0=(47679.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.00020335801619688444, var=0.017075554196444097, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H + Total Standard Deviation in ln(k): 0.2624766267754335"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 0.2624766267754335""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 0.2624766267754335 +""", +) + +entry( + index = 3536, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000360036,'m^3/(mol*s)'), n=2.59763, w0=(301000,'J/mol'), E0=(48899.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=3.3993613781783435e-06, var=0.008510694820977216, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H + Total Standard Deviation in ln(k): 0.18495222252703752"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 0.18495222252703752""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 0.18495222252703752 +""", +) + +entry( + index = 3537, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00182,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(57825.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R_Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3538, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00213,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(57917.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3539, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.000862,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(54541.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H_Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3540, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00101,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(55187.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3541, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.000911,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(51778.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3542, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00106,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(52673.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3543, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.0105701,'m^3/(mol*s)'), n=2.13004, w0=(301000,'J/mol'), E0=(47450.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.008099850329273727, var=0.23471016280534696, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R + Total Standard Deviation in ln(k): 0.9915832792437564"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.9915832792437564""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.9915832792437564 +""", +) + +entry( + index = 3544, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.00271942,'m^3/(mol*s)'), n=2.33717, w0=(301000,'J/mol'), E0=(43949.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.014955982155581292, var=0.18268353092030618, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R + Total Standard Deviation in ln(k): 0.8944315673973852"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.8944315673973852""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.8944315673973852 +""", +) + +entry( + index = 3545, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.00129,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(49229.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3546, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R_Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00061,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(48812.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R_Sp-10R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R_Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3547, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000644,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(45990.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-10R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3548, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.00167,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(49557,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3549, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00079,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(47910,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_Sp-10R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3550, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000834,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(45378.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-10R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3551, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.000945,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3552, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(2.9936e-05,'m^3/(mol*s)'), n=3.07915, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.6919260778074663, var=0.6760623520874743, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-1R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-1R!H-R + Total Standard Deviation in ln(k): 3.3868612743149575"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 3.3868612743149575""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 3.3868612743149575 +""", +) + +entry( + index = 3553, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.0053,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3554, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(2.4285e-07,'m^3/(mol*s)'), n=3.50983, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.1372748624326356, var=0.024104266138842163, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-3R-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-3R-R + Total Standard Deviation in ln(k): 3.1687206487956354"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 3.1687206487956354""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 3.1687206487956354 +""", +) + +entry( + index = 3555, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-1R!H-R_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00292,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-1R!H-R_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-1R!H-R_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-1R!H-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-1R!H-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3556, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-1R!H-R_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00342,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-1R!H-R_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-1R!H-R_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-1R!H-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-1R!H-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3557, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00174,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3558, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00203,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3559, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-3R-R_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00136,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-3R-R_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-3R-R_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-3R-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-3R-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3560, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-3R-R_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00177,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-3R-R_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-3R-R_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-3R-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-3R-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3561, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(1.32211e-07,'m^3/(mol*s)'), n=3.63312, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.11589789527285087, var=0.3237627556780003, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.4318980937799022"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.4318980937799022""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.4318980937799022 +""", +) + +entry( + index = 3562, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.0075,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3563, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00354,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-10R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3564, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00374,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-10R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3565, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.00187,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3566, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000886,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3567, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000936,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3568, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.0551177,'m^3/(mol*s)'), n=2.21291, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.018675830908784476, var=0.2144350961008896, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-3R-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-3R-R + Total Standard Deviation in ln(k): 0.9752596222066127"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 0.9752596222066127""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 0.9752596222066127 +""", +) + +entry( + index = 3569, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.0480478,'m^3/(mol*s)'), n=2.31916, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.00860779053995701, var=0.3235844486674196, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.1620108129017512"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.1620108129017512""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.1620108129017512 +""", +) + +entry( + index = 3570, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.0180165,'m^3/(mol*s)'), n=2.26636, w0=(301000,'J/mol'), E0=(50973.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.00736668963541986, var=0.1764390125637204, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 0.8605911047691602"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.8605911047691602""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.8605911047691602 +""", +) + +entry( + index = 3571, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.0029,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3572, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00339,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3573, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.000371521,'m^3/(mol*s)'), n=2.85529, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.460445353595514, var=0.026383494633223026, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 1.4825269286196459"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 1.4825269286196459""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 1.4825269286196459 +""", +) + +entry( + index = 3574, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000217416,'m^3/(mol*s)'), n=2.82852, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.43276831048321535, var=0.024456166411017777, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-10R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 1.4008674065174211"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 1.4008674065174211""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 1.4008674065174211 +""", +) + +entry( + index = 3575, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000532036,'m^3/(mol*s)'), n=2.72389, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3245762328624116, var=0.0259634132812701, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-10R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 1.138544472778427"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 1.138544472778427""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 1.138544472778427 +""", +) + +entry( + index = 3576, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(9.58552e-05,'m^3/(mol*s)'), n=2.85934, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04257782032415579, var=0.322636643434205, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.2456912840595633"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.2456912840595633""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.2456912840595633 +""", +) + +entry( + index = 3577, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.000226476,'m^3/(mol*s)'), n=2.78472, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0355071353194043, var=0.31777966936629864, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.2193221538498762"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.2193221538498762""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.2193221538498762 +""", +) + +entry( + index = 3578, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.0108,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3579, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00512,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3580, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00541,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3581, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.014,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3582, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00664,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3583, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00701,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3584, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00374,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3585, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00413,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3586, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(14.2847,'m^3/(mol*s)'), n=1.58999, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.847923957167695, var=0.11537762728543496, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R_Ext-5R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 2.8114162288170137"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 2.8114162288170137""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 2.8114162288170137 +""", +) + +entry( + index = 3587, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(0.0353,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3588, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(0.0389,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3589, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(0.0330021,'m^3/(mol*s)'), n=2.21047, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.20631977592804449, var=0.024724179092742472, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 0.8336144199429747"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 0.8336144199429747""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 0.8336144199429747 +""", +) + +entry( + index = 3590, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(0.33823,'m^3/(mol*s)'), n=1.93308, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4931545863645941, var=0.02490930391317397, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 1.5554828298860461"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 1.5554828298860461""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 1.5554828298860461 +""", +) + +entry( + index = 3591, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.0116,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3592, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.0135,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3593, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.0128,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3594, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.0149,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3595, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00541,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3596, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00701,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3597, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00597,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3598, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00773,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3599, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(0.00165,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(85444.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-1R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-1R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3600, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.00054,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(64833.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3601, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.000632,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(65582.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3602, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.00139,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(71171,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3603, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-14R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000655,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(66929.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-14R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-14R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-14R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-14R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3604, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-14R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000692,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(63737.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-14R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-14R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-14R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-14R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3605, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-13R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(2.44711,'m^3/(mol*s)'), n=1.68563, w0=(301000,'J/mol'), E0=(88741.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.011561157480418714, var=0.4297230580288161, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-13R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-13R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.3432174365060539"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-13R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.3432174365060539""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-13R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.3432174365060539 +""", +) + +entry( + index = 3606, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.0914973,'m^3/(mol*s)'), n=2.00305, w0=(301000,'J/mol'), E0=(69842,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=8.463644230729435e-06, var=0.10477320638915683, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 0.6489277391584527"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 0.6489277391584527""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 0.6489277391584527 +""", +) + +entry( + index = 3607, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-14R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00405083,'m^3/(mol*s)'), n=2.31519, w0=(301000,'J/mol'), E0=(63365.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-6.204742648192764e-06, var=0.03616320891994696, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-14R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-14R!H=8R!H + Total Standard Deviation in ln(k): 0.38124857482373237"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-14R!H=8R!H +Total Standard Deviation in ln(k): 0.38124857482373237""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-14R!H=8R!H +Total Standard Deviation in ln(k): 0.38124857482373237 +""", +) + +entry( + index = 3608, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-14R!H=8R!H", + kinetics = ArrheniusBM(A=(0.216669,'m^3/(mol*s)'), n=1.86921, w0=(301000,'J/mol'), E0=(67017.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-3.364115540957695e-07, var=0.010680809201964854, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-14R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-14R!H=8R!H + Total Standard Deviation in ln(k): 0.20718620698384665"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-14R!H=8R!H +Total Standard Deviation in ln(k): 0.20718620698384665""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-14R!H=8R!H +Total Standard Deviation in ln(k): 0.20718620698384665 +""", +) + +entry( + index = 3609, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Sp-12R!H=11R!H_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.002,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(61908.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Sp-12R!H=11R!H_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Sp-12R!H=11R!H_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Sp-12R!H=11R!H_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Sp-12R!H=11R!H_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3610, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Sp-12R!H=11R!H_Ext-8R!H-R_Sp-13R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000947,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(61383.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Sp-12R!H=11R!H_Ext-8R!H-R_Sp-13R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Sp-12R!H=11R!H_Ext-8R!H-R_Sp-13R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Sp-12R!H=11R!H_Ext-8R!H-R_Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Sp-12R!H=11R!H_Ext-8R!H-R_Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3611, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Sp-12R!H=11R!H_Ext-8R!H-R_N-Sp-13R!H=8R!H", + kinetics = ArrheniusBM(A=(0.001,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(57735.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Sp-12R!H=11R!H_Ext-8R!H-R_N-Sp-13R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Sp-12R!H=11R!H_Ext-8R!H-R_N-Sp-13R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Sp-12R!H=11R!H_Ext-8R!H-R_N-Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Sp-12R!H=11R!H_Ext-8R!H-R_N-Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3612, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_N-Sp-12R!H=11R!H_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.0026,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(63241.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_N-Sp-12R!H=11R!H_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_N-Sp-12R!H=11R!H_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_N-Sp-12R!H=11R!H_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_N-Sp-12R!H=11R!H_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3613, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_N-Sp-12R!H=11R!H_Ext-8R!H-R_Sp-13R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00123,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(60719.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_N-Sp-12R!H=11R!H_Ext-8R!H-R_Sp-13R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_N-Sp-12R!H=11R!H_Ext-8R!H-R_Sp-13R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_N-Sp-12R!H=11R!H_Ext-8R!H-R_Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_N-Sp-12R!H=11R!H_Ext-8R!H-R_Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3614, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_N-Sp-12R!H=11R!H_Ext-8R!H-R_N-Sp-13R!H=8R!H", + kinetics = ArrheniusBM(A=(0.0013,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(57539.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_N-Sp-12R!H=11R!H_Ext-8R!H-R_N-Sp-13R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_N-Sp-12R!H=11R!H_Ext-8R!H-R_N-Sp-13R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_N-Sp-12R!H=11R!H_Ext-8R!H-R_N-Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_N-Sp-12R!H=11R!H_Ext-8R!H-R_N-Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3615, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.0203,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(80633.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3616, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_Sp-14R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00959,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(81614.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_Sp-14R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_Sp-14R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_Sp-14R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_Sp-14R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3617, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_N-Sp-14R!H=8R!H", + kinetics = ArrheniusBM(A=(0.0101,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(78460.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_N-Sp-14R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_N-Sp-14R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_N-Sp-14R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_N-Sp-14R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3618, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.00666,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(66599.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3619, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.00779,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(66044.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3620, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.00315,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(64155.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3621, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_N-Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.00368,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(63532.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_N-Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_N-Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3622, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.00332,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(61060.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3623, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_N-Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.00389,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(60451,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_N-Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_N-Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3624, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H", + kinetics = ArrheniusBM(A=(0.0191,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(79190.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3625, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H", + kinetics = ArrheniusBM(A=(0.0211,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(89534.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3626, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.00627,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(64953.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3627, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.00733,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(64434.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3628, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.00692,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(74085.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3629, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.00809,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(70957,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3630, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_Sp-14R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00653,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(76306.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_Sp-14R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_Sp-14R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_Sp-14R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_Sp-14R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3631, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_N-Sp-14R!H=8R!H", + kinetics = ArrheniusBM(A=(0.0072,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(86778,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_N-Sp-14R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_N-Sp-14R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_N-Sp-14R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_N-Sp-14R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3632, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.00214,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(61774.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3633, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_N-Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.0025,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(61228.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_N-Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_N-Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3634, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.00236,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(71113.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3635, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_N-Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.00276,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(67923.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_N-Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_N-Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3636, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000251,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(73150.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3637, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000339,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(64875.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3638, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(8.22e-05,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(58042.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3639, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(9.61e-05,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(58823.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3640, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.000111,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(48583.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3641, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.00013,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(49345.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3642, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.000261,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(65610.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3643, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000123,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(61983.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3644, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00013,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(59148.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3645, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.545439,'m^3/(mol*s)'), n=1.68637, w0=(301000,'J/mol'), E0=(82499.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.008535810744273046, var=0.28469936226887066, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.0911177971820158"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.0911177971820158""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.0911177971820158 +""", +) + +entry( + index = 3646, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.0334197,'m^3/(mol*s)'), n=1.95163, w0=(301000,'J/mol'), E0=(66895.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-7.635459366322472e-05, var=0.0768302836677387, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 0.555869851969072"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 0.555869851969072""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 0.555869851969072 +""", +) + +entry( + index = 3647, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00222744,'m^3/(mol*s)'), n=2.2115, w0=(301000,'J/mol'), E0=(61509.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=2.4460803094487243e-05, var=0.0264208194578879, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H + Total Standard Deviation in ln(k): 0.3259207674595276"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 0.3259207674595276""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 0.3259207674595276 +""", +) + +entry( + index = 3648, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H", + kinetics = ArrheniusBM(A=(0.0552863,'m^3/(mol*s)'), n=1.85598, w0=(301000,'J/mol'), E0=(64370.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=5.468420037393187e-07, var=0.008746832809210974, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H + Total Standard Deviation in ln(k): 0.18749322731906234"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 0.18749322731906234""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 0.18749322731906234 +""", +) + +entry( + index = 3649, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.000376,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(56606.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3650, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000178,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(56192,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3651, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000188,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(52971.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3652, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.000488,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(57659.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3653, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000231,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(55480.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3654, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000243,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(52725.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3655, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.000181609,'m^3/(mol*s)'), n=2.43611, w0=(301000,'J/mol'), E0=(64989.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.030296236242127784, var=0.09690438327424163, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R + Total Standard Deviation in ln(k): 0.7001845786293837"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.7001845786293837""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.7001845786293837 +""", +) + +entry( + index = 3656, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.0383603,'m^3/(mol*s)'), n=1.83868, w0=(301000,'J/mol'), E0=(63160.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.019404765794294752, var=0.09317296391942924, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R + Total Standard Deviation in ln(k): 0.6606859745068268"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.6606859745068268""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.6606859745068268 +""", +) + +entry( + index = 3657, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(9.95e-05,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(60471.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3658, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_4R!H-inRing_Ext-8R!H-R_Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(4.7e-05,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(58370,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_4R!H-inRing_Ext-8R!H-R_Sp-12R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_4R!H-inRing_Ext-8R!H-R_Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_4R!H-inRing_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_4R!H-inRing_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3659, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_4R!H-inRing_Ext-8R!H-R_N-Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(4.97e-05,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(55685.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_4R!H-inRing_Ext-8R!H-R_N-Sp-12R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_4R!H-inRing_Ext-8R!H-R_N-Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_4R!H-inRing_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_4R!H-inRing_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3660, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.000134,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(50929,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3661, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_N-4R!H-inRing_Ext-8R!H-R_Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(6.35e-05,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(48689,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_N-4R!H-inRing_Ext-8R!H-R_Sp-12R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_N-4R!H-inRing_Ext-8R!H-R_Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_N-4R!H-inRing_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_N-4R!H-inRing_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3662, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_N-4R!H-inRing_Ext-8R!H-R_N-Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(6.71e-05,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(45872.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_N-4R!H-inRing_Ext-8R!H-R_N-Sp-12R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_N-4R!H-inRing_Ext-8R!H-R_N-Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_N-4R!H-inRing_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_N-4R!H-inRing_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3663, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00210808,'m^3/(mol*s)'), n=2.31393, w0=(301000,'J/mol'), E0=(71280.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03135003626938229, var=0.30872231534430594, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_4R!H-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 1.192655590020723"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 1.192655590020723""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 1.192655590020723 +""", +) + +entry( + index = 3664, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.196446,'m^3/(mol*s)'), n=1.81275, w0=(301000,'J/mol'), E0=(70042,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.02253440285926977, var=0.32154449391263107, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 1.1934019918903047"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 1.1934019918903047""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 1.1934019918903047 +""", +) + +entry( + index = 3665, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.000162426,'m^3/(mol*s)'), n=2.51889, w0=(301000,'J/mol'), E0=(55214.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.027798986033182333, var=0.057996769809770136, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R + Total Standard Deviation in ln(k): 0.5526373947961046"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.5526373947961046""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.5526373947961046 +""", +) + +entry( + index = 3666, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.000154,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(52989.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3667, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_N-Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.00018,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(52816.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_N-Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_N-Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3668, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.0295529,'m^3/(mol*s)'), n=1.94024, w0=(301000,'J/mol'), E0=(53499.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.017931378542766045, var=0.05889434619887296, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R + Total Standard Deviation in ln(k): 0.5315659783047223"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.5315659783047223""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.5315659783047223 +""", +) + +entry( + index = 3669, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.000208,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(43966.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3670, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_N-Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.000243,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(43695.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_N-Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_N-Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3671, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.000786763,'m^3/(mol*s)'), n=2.28121, w0=(301000,'J/mol'), E0=(58046.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.02683915352832187, var=0.286967374914601, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.1413583267016887"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.1413583267016887""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.1413583267016887 +""", +) + +entry( + index = 3672, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(5.11449e-05,'m^3/(mol*s)'), n=2.66315, w0=(301000,'J/mol'), E0=(54821.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.02031300212191267, var=0.16244164952507162, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 0.8590271338827421"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.8590271338827421""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.8590271338827421 +""", +) + +entry( + index = 3673, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.182579,'m^3/(mol*s)'), n=1.67062, w0=(301000,'J/mol'), E0=(56428.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.017034631976236378, var=0.2794378462354842, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.102541253736771"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.102541253736771""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.102541253736771 +""", +) + +entry( + index = 3674, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.00723176,'m^3/(mol*s)'), n=2.11471, w0=(301000,'J/mol'), E0=(52837.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.009622381424826552, var=0.15615403504470163, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 0.816374570054586"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.816374570054586""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.816374570054586 +""", +) + +entry( + index = 3675, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(8.47791e-16,'m^3/(mol*s)'), n=5.92147, w0=(301000,'J/mol'), E0=(31959.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03847274981425048, var=1.1550931632288846, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 2.251259448491294"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.251259448491294""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.251259448491294 +""", +) + +entry( + index = 3676, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000928927,'m^3/(mol*s)'), n=2.38457, w0=(301000,'J/mol'), E0=(59506.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-6.140250730760016e-05, var=0.0035784609355407585, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 0.12007800813810325"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 0.12007800813810325""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 0.12007800813810325 +""", +) + +entry( + index = 3677, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(0.0126096,'m^3/(mol*s)'), n=2.03588, w0=(301000,'J/mol'), E0=(68780.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0028391823673919936, var=0.372532079473291, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 1.2307318192529602"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 1.2307318192529602""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 1.2307318192529602 +""", +) + +entry( + index = 3678, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.000354,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(55177.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3679, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.00046,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(55447.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3680, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.000391,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(65173.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3681, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.000507,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(64018,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3682, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000285,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(77381.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3683, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00079,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(70710.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3684, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00379,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(67794.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3685, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.0105,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(60890.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3686, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000397,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(47448,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3687, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000438,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(50576.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3688, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_Sp-9R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000316,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(48293.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_Sp-9R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_Sp-9R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3689, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_N-Sp-9R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000339,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(55739.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_N-Sp-9R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_N-Sp-9R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_N-Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_N-Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3690, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_Sp-9R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000348,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(51473.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_Sp-9R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_Sp-9R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3691, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_N-Sp-9R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000374,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(67842.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_N-Sp-9R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_N-Sp-9R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_N-Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_N-Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3692, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(4.44739e-12,'m^3/(mol*s)'), n=4.83628, w0=(301000,'J/mol'), E0=(28454.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.39968912127140027, var=0.4590878241792966, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 2.362572722623217"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.362572722623217""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.362572722623217 +""", +) + +entry( + index = 3693, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000754,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(66373.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3694, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00102,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(58781.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3695, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(8.82283e-15,'m^3/(mol*s)'), n=5.46617, w0=(301000,'J/mol'), E0=(-719.555,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.28959071259726304, var=0.08934594124747147, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 1.3268460365345927"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 1.3268460365345927""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 1.3268460365345927 +""", +) + +entry( + index = 3696, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(9.04164e-14,'m^3/(mol*s)'), n=5.18878, w0=(301000,'J/mol'), E0=(5516.42,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.26330626795837725, var=0.09012442274964798, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 1.263409641636924"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 1.263409641636924""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 1.263409641636924 +""", +) + +entry( + index = 3697, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.000247,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(53343.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3698, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.000289,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(54542.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3699, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.000334,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(44776,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3700, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.000391,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(45969.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3701, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(1.40356e-05,'m^3/(mol*s)'), n=2.83109, w0=(301000,'J/mol'), E0=(50487.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-5.3462272470798044e-05, var=0.11866255043450699, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_4R!H-inRing + Total Standard Deviation in ln(k): 0.6907140603728633"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 0.6907140603728633""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 0.6907140603728633 +""", +) + +entry( + index = 3702, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00127653,'m^3/(mol*s)'), n=2.3331, w0=(301000,'J/mol'), E0=(48364,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-7.9869750524523e-05, var=0.10906188882799907, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 0.6622548043449971"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 0.6622548043449971""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 0.6622548043449971 +""", +) + +entry( + index = 3703, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000193046,'m^3/(mol*s)'), n=2.48983, w0=(301000,'J/mol'), E0=(60008.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.00023679853584702087, var=0.29036547354784414, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing + Total Standard Deviation in ln(k): 1.080857909753971"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 1.080857909753971""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 1.080857909753971 +""", +) + +entry( + index = 3704, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0140812,'m^3/(mol*s)'), n=2.0121, w0=(301000,'J/mol'), E0=(58217.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.00023268083656076527, var=0.2881202937974498, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 1.0766630250948361"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 1.0766630250948361""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 1.0766630250948361 +""", +) + +entry( + index = 3705, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(1.10246e-18,'m^3/(mol*s)'), n=6.53194, w0=(289500,'J/mol'), E0=(2043.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.023016236118505864, var=2.9713059538163087, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 3.5134871134140533"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 3.5134871134140533""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 3.5134871134140533 +""", +) + +entry( + index = 3706, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(1.00721e-17,'m^3/(mol*s)'), n=6.38351, w0=(289500,'J/mol'), E0=(11014.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.02367507662845575, var=3.125677085410279, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 3.6037734397894803"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 3.6037734397894803""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 3.6037734397894803 +""", +) + +entry( + index = 3707, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(1.36056e-16,'m^3/(mol*s)'), n=6.25454, w0=(289500,'J/mol'), E0=(5188.23,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.024513125061524633, var=3.1842780358940717, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 3.6389493940098743"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 3.6389493940098743""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 3.6389493940098743 +""", +) + +entry( + index = 3708, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(1.69627e-06,'m^3/(mol*s)'), n=3.52419, w0=(289500,'J/mol'), E0=(45769.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0250829585339364, var=3.4383059046554125, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 3.7803364970952837"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 3.7803364970952837""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 3.7803364970952837 +""", +) + +entry( + index = 3709, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(3.87372e-05,'m^3/(mol*s)'), n=2.71639, w0=(301000,'J/mol'), E0=(40559.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.00817189012281422, var=4.969878307321176, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 4.489733176245187"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 4.489733176245187""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 4.489733176245187 +""", +) + +entry( + index = 3710, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(3.4144e-07,'m^3/(mol*s)'), n=3.3255, w0=(301000,'J/mol'), E0=(38355.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.016151430453637303, var=4.441604613658934, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 4.2655836617838565"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 4.2655836617838565""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 4.2655836617838565 +""", +) + +entry( + index = 3711, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(1.06901e-05,'m^3/(mol*s)'), n=2.8598, w0=(301000,'J/mol'), E0=(50701.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0033213627558730703, var=1.1999142685949755, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_4R!H-inRing + Total Standard Deviation in ln(k): 2.2043439315775553"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 2.2043439315775553""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 2.2043439315775553 +""", +) + +entry( + index = 3712, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00858866,'m^3/(mol*s)'), n=2.09891, w0=(301000,'J/mol'), E0=(49353.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=6.483520174037592e-05, var=1.3679956662892034, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_N-4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 2.34492805031937"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 2.34492805031937""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 2.34492805031937 +""", +) + +entry( + index = 3713, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(3.84266e-20,'m^3/(mol*s)'), n=6.96019, w0=(301000,'J/mol'), E0=(4596.33,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04260565587005982, var=5.8048428753320085, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_4R!H-inRing + Total Standard Deviation in ln(k): 4.9371060293990245"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 4.9371060293990245""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 4.9371060293990245 +""", +) + +entry( + index = 3714, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(1.91523e-07,'m^3/(mol*s)'), n=3.44016, w0=(301000,'J/mol'), E0=(44876.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0330054030145742, var=6.791985762548386, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_N-4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 5.307556139436876"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 5.307556139436876""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 5.307556139436876 +""", +) + +entry( + index = 3715, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.00201,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(76343.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3716, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H", + kinetics = ArrheniusBM(A=(0.000952,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(72797.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3717, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00101,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(70073.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3718, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.0477405,'m^3/(mol*s)'), n=2.23408, w0=(301000,'J/mol'), E0=(86088,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0069400233190969945, var=0.4097376744883532, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 1.300683301621068"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.300683301621068""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.300683301621068 +""", +) + +entry( + index = 3719, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.00203073,'m^3/(mol*s)'), n=2.54314, w0=(301000,'J/mol'), E0=(71065.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-7.744076572706219e-05, var=0.07658316100081586, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 0.5549781991399511"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.5549781991399511""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.5549781991399511 +""", +) + +entry( + index = 3720, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H", + kinetics = ArrheniusBM(A=(0.000130247,'m^3/(mol*s)'), n=2.80605, w0=(301000,'J/mol'), E0=(65694.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=2.9161218904071262e-05, var=0.024552172598667748, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H + Total Standard Deviation in ln(k): 0.31419787305923425"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H +Total Standard Deviation in ln(k): 0.31419787305923425""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H +Total Standard Deviation in ln(k): 0.31419787305923425 +""", +) + +entry( + index = 3721, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00247418,'m^3/(mol*s)'), n=2.48218, w0=(301000,'J/mol'), E0=(68288.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=6.435818536201312e-07, var=0.008896363727500512, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H + Total Standard Deviation in ln(k): 0.18908930637497534"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H +Total Standard Deviation in ln(k): 0.18908930637497534""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H +Total Standard Deviation in ln(k): 0.18908930637497534 +""", +) + +entry( + index = 3722, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.00291,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(67323.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3723, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Sp-11R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00138,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(66888.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Sp-11R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Sp-11R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3724, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_N-Sp-11R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00145,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(63752,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_N-Sp-11R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_N-Sp-11R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_N-Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_N-Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3725, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.00377,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(68278.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3726, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_Sp-11R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00178,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(66169.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_Sp-11R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_Sp-11R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3727, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_N-Sp-11R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00188,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(63480.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_N-Sp-11R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_N-Sp-11R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_N-Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_N-Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3728, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.000328086,'m^3/(mol*s)'), n=2.63438, w0=(301000,'J/mol'), E0=(72816.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0008350332210172929, var=0.25516344465186874, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.0147640471003285"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.0147640471003285""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.0147640471003285 +""", +) + +entry( + index = 3729, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H", + kinetics = ArrheniusBM(A=(5.18498e-06,'m^3/(mol*s)'), n=3.06916, w0=(301000,'J/mol'), E0=(66074.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0008487114612561371, var=0.2724039907539124, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H + Total Standard Deviation in ln(k): 1.048450502676504"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H +Total Standard Deviation in ln(k): 1.048450502676504""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H +Total Standard Deviation in ln(k): 1.048450502676504 +""", +) + +entry( + index = 3730, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H", + kinetics = ArrheniusBM(A=(4.0737e-05,'m^3/(mol*s)'), n=2.85534, w0=(301000,'J/mol'), E0=(68052.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0008588511017970505, var=0.2752711364963566, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H + Total Standard Deviation in ln(k): 1.053967994479996"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H +Total Standard Deviation in ln(k): 1.053967994479996""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H +Total Standard Deviation in ln(k): 1.053967994479996 +""", +) + +entry( + index = 3731, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000622,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(66786.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3732, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000527,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(68539.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3733, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Sp-11R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000294,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(64722.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Sp-11R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Sp-11R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Sp-11R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Sp-11R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3734, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Sp-11R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000249,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(66540.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Sp-11R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Sp-11R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Sp-11R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Sp-11R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3735, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_N-Sp-11R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00031,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(62028.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_N-Sp-11R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_N-Sp-11R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_N-Sp-11R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_N-Sp-11R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3736, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000263,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(63863.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3737, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(2.36551e-15,'m^3/(mol*s)'), n=5.92304, w0=(301000,'J/mol'), E0=(26256.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.23573442985454843, var=0.31499610920879056, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 1.717445385258352"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.717445385258352""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.717445385258352 +""", +) + +entry( + index = 3738, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00293,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(73027.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3739, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00248,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(74521.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3740, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(8.92617e-05,'m^3/(mol*s)'), n=2.86436, w0=(301000,'J/mol'), E0=(61632.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.01683235039766627, var=0.09199275372745945, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 0.6503346460048655"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.6503346460048655""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.6503346460048655 +""", +) + +entry( + index = 3741, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H", + kinetics = ArrheniusBM(A=(6.82887e-06,'m^3/(mol*s)'), n=3.10371, w0=(301000,'J/mol'), E0=(56625.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0177363726838918, var=0.07859719910311694, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H + Total Standard Deviation in ln(k): 0.6065950786990196"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H +Total Standard Deviation in ln(k): 0.6065950786990196""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H +Total Standard Deviation in ln(k): 0.6065950786990196 +""", +) + +entry( + index = 3742, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H", + kinetics = ArrheniusBM(A=(8.85959e-05,'m^3/(mol*s)'), n=2.82362, w0=(301000,'J/mol'), E0=(58904.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.019784030135715537, var=0.0807090251132463, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H + Total Standard Deviation in ln(k): 0.6192404998462683"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H +Total Standard Deviation in ln(k): 0.6192404998462683""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H +Total Standard Deviation in ln(k): 0.6192404998462683 +""", +) + +entry( + index = 3743, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_4R!H-inRing_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.000961,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(59158.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_4R!H-inRing_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_4R!H-inRing_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3744, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.00112,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(60281.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3745, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.000814,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(60857.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3746, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.000952,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(61983.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3747, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.000374436,'m^3/(mol*s)'), n=2.64366, w0=(301000,'J/mol'), E0=(62243.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0010083986684609548, var=0.2665458798525255, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.0375399244481314"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.0375399244481314""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.0375399244481314 +""", +) + +entry( + index = 3748, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Sp-11R!H=7R!H", + kinetics = ArrheniusBM(A=(1.67192e-05,'m^3/(mol*s)'), n=2.95057, w0=(301000,'J/mol'), E0=(59673.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.000988230217080829, var=0.2512607370673372, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Sp-11R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Sp-11R!H=7R!H + Total Standard Deviation in ln(k): 1.0073747945816913"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 1.0073747945816913""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 1.0073747945816913 +""", +) + +entry( + index = 3749, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_N-Sp-11R!H=7R!H", + kinetics = ArrheniusBM(A=(0.000362072,'m^3/(mol*s)'), n=2.60338, w0=(301000,'J/mol'), E0=(62226.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.001036064520917982, var=0.2635653694075576, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_N-Sp-11R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_N-Sp-11R!H=7R!H + Total Standard Deviation in ln(k): 1.0318064596881134"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_N-Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 1.0318064596881134""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_N-Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 1.0318064596881134 +""", +) + +entry( + index = 3750, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(8.28271e-05,'m^3/(mol*s)'), n=2.87495, w0=(301000,'J/mol'), E0=(61456.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.001000656003395669, var=0.24826636487323545, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.0014002244160845"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.0014002244160845""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.0014002244160845 +""", +) + +entry( + index = 3751, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(7.28991e-06,'m^3/(mol*s)'), n=3.10469, w0=(301000,'J/mol'), E0=(55608.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0014254029557178459, var=0.23364106982451788, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 0.9725988301703905"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 0.9725988301703905""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 0.9725988301703905 +""", +) + +entry( + index = 3752, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(3.74672e-06,'m^3/(mol*s)'), n=3.20712, w0=(301000,'J/mol'), E0=(59055.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.001468950433049354, var=0.2359015619177396, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 0.9773846144505058"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 0.9773846144505058""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 0.9773846144505058 +""", +) + +entry( + index = 3753, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing_Ext-2C-R", + kinetics = ArrheniusBM(A=(3.54267e-05,'m^3/(mol*s)'), n=2.96501, w0=(301000,'J/mol'), E0=(74878.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.005089277998394672, var=0.21016389314647752, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing_Ext-2C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing_Ext-2C-R + Total Standard Deviation in ln(k): 0.931830575683101"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing_Ext-2C-R +Total Standard Deviation in ln(k): 0.931830575683101""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing_Ext-2C-R +Total Standard Deviation in ln(k): 0.931830575683101 +""", +) + +entry( + index = 3754, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.00075265,'m^3/(mol*s)'), n=2.4636, w0=(301000,'J/mol'), E0=(74195.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0032859035488063547, var=0.11653963656955597, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R + Total Standard Deviation in ln(k): 0.6926305388867694"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.6926305388867694""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.6926305388867694 +""", +) + +entry( + index = 3755, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R", + kinetics = ArrheniusBM(A=(1.70211e-07,'m^3/(mol*s)'), n=3.72808, w0=(301000,'J/mol'), E0=(63102.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09740039781249034, var=0.14291421238180227, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R + Total Standard Deviation in ln(k): 1.0025945888057723"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R +Total Standard Deviation in ln(k): 1.0025945888057723""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R +Total Standard Deviation in ln(k): 1.0025945888057723 +""", +) + +entry( + index = 3756, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(2.05644e-07,'m^3/(mol*s)'), n=3.64341, w0=(301000,'J/mol'), E0=(59582.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08194556809740648, var=0.42048509282007424, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R + Total Standard Deviation in ln(k): 1.5058602778305574"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.5058602778305574""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.5058602778305574 +""", +) + +entry( + index = 3757, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00208,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(69759.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3758, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.0027,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(69837,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3759, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-2C-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(2.96842e-05,'m^3/(mol*s)'), n=3.02416, w0=(301000,'J/mol'), E0=(56660.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0013744931612773932, var=0.10556349931866547, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-2C-R_Ext-7R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-2C-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 0.6548026920578361"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-2C-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.6548026920578361""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-2C-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.6548026920578361 +""", +) + +entry( + index = 3760, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H", + kinetics = ArrheniusBM(A=(9.12324e-05,'m^3/(mol*s)'), n=2.89347, w0=(301000,'J/mol'), E0=(62892.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0007396796995430122, var=0.7311278516832397, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H + Total Standard Deviation in ln(k): 1.7160275578063804"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H +Total Standard Deviation in ln(k): 1.7160275578063804""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H +Total Standard Deviation in ln(k): 1.7160275578063804 +""", +) + +entry( + index = 3761, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H", + kinetics = ArrheniusBM(A=(2.86806e-07,'m^3/(mol*s)'), n=3.62361, w0=(301000,'J/mol'), E0=(63636.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.021709030333028064, var=5.289574458166515, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H + Total Standard Deviation in ln(k): 4.665250520394808"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H +Total Standard Deviation in ln(k): 4.665250520394808""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H +Total Standard Deviation in ln(k): 4.665250520394808 +""", +) + +entry( + index = 3762, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H", + kinetics = ArrheniusBM(A=(3.34948e-06,'m^3/(mol*s)'), n=3.19003, w0=(301000,'J/mol'), E0=(64034.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0009355637436798999, var=0.24419347816225026, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H + Total Standard Deviation in ln(k): 0.9930092758050915"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 0.9930092758050915""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 0.9930092758050915 +""", +) + +entry( + index = 3763, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H", + kinetics = ArrheniusBM(A=(1.4271e-06,'m^3/(mol*s)'), n=3.31268, w0=(301000,'J/mol'), E0=(64503.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0010097988974444516, var=0.2364927867143261, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H + Total Standard Deviation in ln(k): 0.9774503566498031"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 0.9774503566498031""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 0.9774503566498031 +""", +) + +entry( + index = 3764, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000586,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(64573.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3765, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000496,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(66263.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3766, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000646,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(67047.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3767, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000548,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(68710.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3768, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(6.41162e-08,'m^3/(mol*s)'), n=3.87325, w0=(301000,'J/mol'), E0=(58323.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.11636160681153081, var=0.17396934692964564, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 1.1285334858908815"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.1285334858908815""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.1285334858908815 +""", +) + +entry( + index = 3769, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00471,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3770, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00399,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3771, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H", + kinetics = ArrheniusBM(A=(1.40748e-06,'m^3/(mol*s)'), n=3.36546, w0=(301000,'J/mol'), E0=(52935.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.016444231322922304, var=0.07784289514157539, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H + Total Standard Deviation in ln(k): 0.6006450593833974"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 0.6006450593833974""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 0.6006450593833974 +""", +) + +entry( + index = 3772, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H", + kinetics = ArrheniusBM(A=(6.57418e-05,'m^3/(mol*s)'), n=2.87189, w0=(301000,'J/mol'), E0=(61056.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.023767191324454446, var=0.13977650243959933, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H + Total Standard Deviation in ln(k): 0.8092207665146677"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 0.8092207665146677""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 0.8092207665146677 +""", +) + +entry( + index = 3773, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_4R!H-inRing_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00155,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(59405.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_4R!H-inRing_Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_4R!H-inRing_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_4R!H-inRing_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_4R!H-inRing_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3774, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_4R!H-inRing_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00181,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(60606.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_4R!H-inRing_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_4R!H-inRing_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_4R!H-inRing_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_4R!H-inRing_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3775, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00131,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(61021,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3776, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00153,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(62224.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3777, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(1.49415e-05,'m^3/(mol*s)'), n=3.03477, w0=(301000,'J/mol'), E0=(54684.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0011189237202810988, var=0.23490084823565327, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_Sp-9R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 0.9744377111992683"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 0.9744377111992683""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 0.9744377111992683 +""", +) + +entry( + index = 3778, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(1.468e-06,'m^3/(mol*s)'), n=3.36135, w0=(301000,'J/mol'), E0=(52944.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.00116401874926382, var=0.24042530567919382, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 0.9859100938201937"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 0.9859100938201937""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 0.9859100938201937 +""", +) + +entry( + index = 3779, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(7.76183e-05,'m^3/(mol*s)'), n=2.84413, w0=(301000,'J/mol'), E0=(65277.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.001114514798126048, var=0.20243159070581582, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_Sp-9R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 0.9047786798247245"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 0.9047786798247245""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 0.9047786798247245 +""", +) + +entry( + index = 3780, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000169784,'m^3/(mol*s)'), n=2.72597, w0=(301000,'J/mol'), E0=(61241.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0011727643638661212, var=0.21460863378893683, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 0.9316576330007278"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 0.9316576330007278""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 0.9316576330007278 +""", +) + +entry( + index = 3781, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_Ext-7R!H-R_Sp-10R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00201,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(53408.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_Ext-7R!H-R_Sp-10R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_Ext-7R!H-R_Sp-10R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_Ext-7R!H-R_Sp-10R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_Ext-7R!H-R_Sp-10R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3782, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_Ext-7R!H-R_Sp-10R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0017,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(55358.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_Ext-7R!H-R_Sp-10R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_Ext-7R!H-R_Sp-10R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_Ext-7R!H-R_Sp-10R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_Ext-7R!H-R_Sp-10R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3783, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_Ext-7R!H-R_N-Sp-10R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00222,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(55791.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_Ext-7R!H-R_N-Sp-10R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_Ext-7R!H-R_N-Sp-10R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_Ext-7R!H-R_N-Sp-10R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_Ext-7R!H-R_N-Sp-10R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3784, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00188,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(57607,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3785, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_Sp-8R!H-2R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0016,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(54391.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_Sp-8R!H-2R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_Sp-8R!H-2R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_Sp-8R!H-2R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_Sp-8R!H-2R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3786, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_Sp-8R!H-2R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00135,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(56361.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_Sp-8R!H-2R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_Sp-8R!H-2R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_Sp-8R!H-2R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_Sp-8R!H-2R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3787, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_N-Sp-8R!H-2R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00172,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(59978,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_N-Sp-8R!H-2R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_N-Sp-8R!H-2R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_N-Sp-8R!H-2R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_N-Sp-8R!H-2R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3788, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_N-Sp-8R!H-2R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00146,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(61891.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_N-Sp-8R!H-2R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_N-Sp-8R!H-2R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_N-Sp-8R!H-2R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_N-Sp-8R!H-2R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3789, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_Sp-8R!H-2R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00176,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(56786.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_Sp-8R!H-2R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_Sp-8R!H-2R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_Sp-8R!H-2R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_Sp-8R!H-2R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3790, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_Sp-8R!H-2R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00149,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(58664.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_Sp-8R!H-2R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_Sp-8R!H-2R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_Sp-8R!H-2R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_Sp-8R!H-2R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3791, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_N-Sp-8R!H-2R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0019,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(70609.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_N-Sp-8R!H-2R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_N-Sp-8R!H-2R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_N-Sp-8R!H-2R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_N-Sp-8R!H-2R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3792, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_N-Sp-8R!H-2R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00161,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(72379.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_N-Sp-8R!H-2R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_N-Sp-8R!H-2R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_N-Sp-8R!H-2R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_N-Sp-8R!H-2R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3793, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00127,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(80026.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3794, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00118,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(80702.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3795, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0137,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(90315.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R_Sp-5R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3796, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(1.76043e-18,'m^3/(mol*s)'), n=6.86286, w0=(301000,'J/mol'), E0=(23525.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0002318199559834627, var=0.030000876472252518, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.34781783543553346"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.34781783543553346""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.34781783543553346 +""", +) + +entry( + index = 3797, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00715,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3798, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00661,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3799, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-5R!H=4R!H_Sp-10R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00451,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(76668.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-5R!H=4R!H_Sp-10R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-5R!H=4R!H_Sp-10R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-5R!H=4R!H_Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-5R!H=4R!H_Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3800, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-5R!H=4R!H_N-Sp-10R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00527,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(76356.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-5R!H=4R!H_N-Sp-10R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-5R!H=4R!H_N-Sp-10R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-5R!H=4R!H_N-Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-5R!H=4R!H_N-Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3801, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H", + kinetics = ArrheniusBM(A=(5.00562e-06,'m^3/(mol*s)'), n=3.20785, w0=(301000,'J/mol'), E0=(67719.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.00030732975527188687, var=0.047167050087618345, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H + Total Standard Deviation in ln(k): 0.4361600772127603"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 0.4361600772127603""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 0.4361600772127603 +""", +) + +entry( + index = 3802, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H", + kinetics = ArrheniusBM(A=(1.54153e-05,'m^3/(mol*s)'), n=3.1227, w0=(301000,'J/mol'), E0=(70868.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0003071826834175859, var=0.046890413942895844, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H + Total Standard Deviation in ln(k): 0.4348810486492486"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 0.4348810486492486""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 0.4348810486492486 +""", +) + +entry( + index = 3803, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00235,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(70896.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3804, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00217,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(71400.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3805, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00274,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(71470,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3806, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00253,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(71984.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3807, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00184,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(72160.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3808, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0017,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(72846,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3809, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00239,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(73151.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3810, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00221,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(73765.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3811, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.00304238,'m^3/(mol*s)'), n=2.58412, w0=(301000,'J/mol'), E0=(80428.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.005424921993053376, var=0.1555204219654061, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R + Total Standard Deviation in ln(k): 0.8042193388730398"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 0.8042193388730398""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 0.8042193388730398 +""", +) + +entry( + index = 3812, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.000143708,'m^3/(mol*s)'), n=2.86825, w0=(301000,'J/mol'), E0=(73396.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.008653407458522071, var=0.09399886244365466, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R + Total Standard Deviation in ln(k): 0.6363786466090626"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 0.6363786466090626""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 0.6363786466090626 +""", +) + +entry( + index = 3813, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00238,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(76551.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3814, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0022,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(77126.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3815, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.00545,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(76579.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3816, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00258,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(75837.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3817, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00272,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(73121.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3818, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.0375772,'m^3/(mol*s)'), n=2.08729, w0=(301000,'J/mol'), E0=(76581.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.00030225465814975584, var=0.05062159618451871, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 0.45180966208813494"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.45180966208813494""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.45180966208813494 +""", +) + +entry( + index = 3819, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H", + kinetics = ArrheniusBM(A=(0.000635185,'m^3/(mol*s)'), n=2.51207, w0=(301000,'J/mol'), E0=(72446.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0002855394581868648, var=0.053548800651175635, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H + Total Standard Deviation in ln(k): 0.4646254375683567"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H +Total Standard Deviation in ln(k): 0.4646254375683567""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H +Total Standard Deviation in ln(k): 0.4646254375683567 +""", +) + +entry( + index = 3820, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H", + kinetics = ArrheniusBM(A=(0.0068941,'m^3/(mol*s)'), n=2.25629, w0=(301000,'J/mol'), E0=(74673.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.00029347590758850686, var=0.04687030082933602, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H + Total Standard Deviation in ln(k): 0.43475349640130356"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H +Total Standard Deviation in ln(k): 0.43475349640130356""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H +Total Standard Deviation in ln(k): 0.43475349640130356 +""", +) + +entry( + index = 3821, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0227394,'m^3/(mol*s)'), n=2.52073, w0=(301000,'J/mol'), E0=(86641.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.125054764721906, var=0.46579922610403607, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Sp-5R!H=4R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 1.6824293260571872"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.6824293260571872""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.6824293260571872 +""", +) + +entry( + index = 3822, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(2.90843e-15,'m^3/(mol*s)'), n=6.04954, w0=(301000,'J/mol'), E0=(19296.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.34486878480718686, var=0.1351861193517337, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 1.6035987629149107"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.6035987629149107""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.6035987629149107 +""", +) + +entry( + index = 3823, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.000869752,'m^3/(mol*s)'), n=2.80956, w0=(301000,'J/mol'), E0=(69722.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.004205170535108612, var=0.0978924127676865, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R + Total Standard Deviation in ln(k): 0.6378025194339799"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 0.6378025194339799""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 0.6378025194339799 +""", +) + +entry( + index = 3824, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00843,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(73423.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3825, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00985,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(73172.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3826, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(5.69585e-05,'m^3/(mol*s)'), n=3.05124, w0=(301000,'J/mol'), E0=(62642,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.008115728696113012, var=0.08127068156803231, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R + Total Standard Deviation in ln(k): 0.5919014182921212"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 0.5919014182921212""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 0.5919014182921212 +""", +) + +entry( + index = 3827, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(1.76816e-05,'m^3/(mol*s)'), n=3.13865, w0=(301000,'J/mol'), E0=(65268.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0002876167149793439, var=0.03579159348122769, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 0.3799917946819703"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 0.3799917946819703""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 0.3799917946819703 +""", +) + +entry( + index = 3828, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(4.87788e-05,'m^3/(mol*s)'), n=3.06514, w0=(301000,'J/mol'), E0=(68316.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.00029249813989240726, var=0.0371534824768553, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 0.3871523902895845"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 0.3871523902895845""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 0.3871523902895845 +""", +) + +entry( + index = 3829, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.00932598,'m^3/(mol*s)'), n=2.46928, w0=(301000,'J/mol'), E0=(72051.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.004520271123741321, var=0.28156873771373764, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R + Total Standard Deviation in ln(k): 1.0751310608569495"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 1.0751310608569495""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 1.0751310608569495 +""", +) + +entry( + index = 3830, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.000680174,'m^3/(mol*s)'), n=2.83986, w0=(301000,'J/mol'), E0=(70151.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.002236611384807908, var=0.2583883553555292, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R + Total Standard Deviation in ln(k): 1.0246648513902277"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 1.0246648513902277""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 1.0246648513902277 +""", +) + +entry( + index = 3831, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.00042918,'m^3/(mol*s)'), n=2.75757, w0=(301000,'J/mol'), E0=(64899.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.00872911490433361, var=0.15254521154245135, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R + Total Standard Deviation in ln(k): 0.8049225643314225"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 0.8049225643314225""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 0.8049225643314225 +""", +) + +entry( + index = 3832, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00344,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(69971.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3833, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00318,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(70479.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3834, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(5.22319e-05,'m^3/(mol*s)'), n=3.06171, w0=(301000,'J/mol'), E0=(63215.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0018094998933506417, var=0.1397201125424816, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R + Total Standard Deviation in ln(k): 0.7538994864179938"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 0.7538994864179938""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 0.7538994864179938 +""", +) + +entry( + index = 3835, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00446,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(70679.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3836, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00412,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(71207.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3837, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00868,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(60475.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3838, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00802,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(61376.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3839, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0041,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(58218.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3840, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00379,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(59196.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3841, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00433,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(55390.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3842, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.004,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(56360.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3843, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0069,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(61393.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3844, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00638,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(62355.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3845, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00326,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(59161.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3846, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00301,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(60117,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3847, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00344,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(56275.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3848, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00318,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(57308.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3849, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00742,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(66279.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3850, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00686,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(67235.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3851, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00351,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(67340.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3852, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00324,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(68233.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3853, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0037,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(64082.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3854, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00342,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(65009.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3855, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(6.40641e-05,'m^3/(mol*s)'), n=3.10015, w0=(301000,'J/mol'), E0=(74685.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0019687548271912565, var=0.03126083310974251, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.35939848318200057"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.35939848318200057""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.35939848318200057 +""", +) + +entry( + index = 3856, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(6.05533e-06,'m^3/(mol*s)'), n=3.29775, w0=(301000,'J/mol'), E0=(67606.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.006454585938364276, var=0.011287721943377984, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.22920800733186592"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.22920800733186592""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.22920800733186592 +""", +) + +entry( + index = 3857, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00383,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(75747.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3858, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00354,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(76245.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3859, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-9R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00514,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(74638.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-9R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-9R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3860, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-9R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00567,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(77504.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-9R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-9R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3861, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H", + kinetics = ArrheniusBM(A=(0.000461953,'m^3/(mol*s)'), n=2.61819, w0=(301000,'J/mol'), E0=(68553.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.00029383729624584814, var=0.04215226686052035, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H + Total Standard Deviation in ln(k): 0.412330788871645"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 0.412330788871645""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 0.412330788871645 +""", +) + +entry( + index = 3862, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H", + kinetics = ArrheniusBM(A=(6.18997e-05,'m^3/(mol*s)'), n=2.90033, w0=(301000,'J/mol'), E0=(69445.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.00027432488365966643, var=0.036030789925276904, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H + Total Standard Deviation in ln(k): 0.38122362207662364"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 0.38122362207662364""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 0.38122362207662364 +""", +) + +entry( + index = 3863, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(1.81587e-06,'m^3/(mol*s)'), n=3.66991, w0=(301000,'J/mol'), E0=(68357.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09529118819702795, var=0.12984198702103256, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 0.9618031872072572"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 0.9618031872072572""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 0.9618031872072572 +""", +) + +entry( + index = 3864, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0413,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(84635.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Sp-5R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3865, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(1.5232e-13,'m^3/(mol*s)'), n=5.5854, w0=(301000,'J/mol'), E0=(18858.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=3.2835037510499765, var=0.000680308323940242, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 8.302298370035315"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 8.302298370035315""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 8.302298370035315 +""", +) + +entry( + index = 3866, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(8.74478e-06,'m^3/(mol*s)'), n=3.39956, w0=(301000,'J/mol'), E0=(63931.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.050972291210036685, var=0.22393828954565176, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 1.0767541915577634"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.0767541915577634""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.0767541915577634 +""", +) + +entry( + index = 3867, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(4.08478e-07,'m^3/(mol*s)'), n=3.68433, w0=(301000,'J/mol'), E0=(54927.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0683260618516104, var=0.08081568288958867, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.7415816004212165"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.7415816004212165""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.7415816004212165 +""", +) + +entry( + index = 3868, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.0136,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(72790.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3869, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.0159,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(72587.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3870, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(1.18956e-05,'m^3/(mol*s)'), n=3.23102, w0=(301000,'J/mol'), E0=(61853,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0002648352278526121, var=0.029913773323806327, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 0.3473963484611409"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 0.3473963484611409""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 0.3473963484611409 +""", +) + +entry( + index = 3871, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(3.22797e-05,'m^3/(mol*s)'), n=3.15626, w0=(301000,'J/mol'), E0=(64856.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.00027325727288913837, var=0.03118951855959546, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 0.3547339071841344"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 0.3547339071841344""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 0.3547339071841344 +""", +) + +entry( + index = 3872, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-9R!H=6R!H", + kinetics = ArrheniusBM(A=(0.000177447,'m^3/(mol*s)'), n=3.01449, w0=(301000,'J/mol'), E0=(64548.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0008652418866344613, var=0.014618480356749229, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-9R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-9R!H=6R!H + Total Standard Deviation in ln(k): 0.24456029378025326"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 0.24456029378025326""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 0.24456029378025326 +""", +) + +entry( + index = 3873, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-9R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00385698,'m^3/(mol*s)'), n=2.61419, w0=(301000,'J/mol'), E0=(74642,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0001531822984121292, var=0.29503667313345483, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-9R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-9R!H=6R!H + Total Standard Deviation in ln(k): 1.0893024130500752"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 1.0893024130500752""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 1.0893024130500752 +""", +) + +entry( + index = 3874, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H", + kinetics = ArrheniusBM(A=(1.9818e-05,'m^3/(mol*s)'), n=3.19185, w0=(301000,'J/mol'), E0=(57670.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=5.9490421011978265e-05, var=0.0177532239573233, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H + Total Standard Deviation in ln(k): 0.26726283031387615"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 0.26726283031387615""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 0.26726283031387615 +""", +) + +entry( + index = 3875, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H", + kinetics = ArrheniusBM(A=(0.000293477,'m^3/(mol*s)'), n=2.8419, w0=(301000,'J/mol'), E0=(66539.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0037246039285906613, var=0.09063549433873576, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H + Total Standard Deviation in ln(k): 0.6128984191421251"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 0.6128984191421251""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 0.6128984191421251 +""", +) + +entry( + index = 3876, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_Sp-8R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00554,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(67297.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_Sp-8R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_Sp-8R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_Sp-8R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_Sp-8R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3877, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_Sp-8R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00512,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(67742.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_Sp-8R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_Sp-8R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_Sp-8R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_Sp-8R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3878, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-8R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00718,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(68441.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-8R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-8R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-8R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-8R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3879, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00664,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(68899.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3880, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-9R!H=6R!H", + kinetics = ArrheniusBM(A=(0.0176,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(62649.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-9R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-9R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3881, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-9R!H=6R!H", + kinetics = ArrheniusBM(A=(0.0194,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(65297.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-9R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-9R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3882, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H", + kinetics = ArrheniusBM(A=(9.52293e-06,'m^3/(mol*s)'), n=3.26428, w0=(301000,'J/mol'), E0=(51927.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0002959289235534576, var=0.06209989008482506, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H + Total Standard Deviation in ln(k): 0.5003205048713993"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 0.5003205048713993""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 0.5003205048713993 +""", +) + +entry( + index = 3883, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H", + kinetics = ArrheniusBM(A=(3.74201e-06,'m^3/(mol*s)'), n=3.40027, w0=(301000,'J/mol'), E0=(53228.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.00033766941350518454, var=0.05663149466585478, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H + Total Standard Deviation in ln(k): 0.4779226933050673"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 0.4779226933050673""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 0.4779226933050673 +""", +) + +entry( + index = 3884, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-8R!H=6R!H_Sp-7R!H-2R!H", + kinetics = ArrheniusBM(A=(0.014,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(63535.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-8R!H=6R!H_Sp-7R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-8R!H=6R!H_Sp-7R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-8R!H=6R!H_Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-8R!H=6R!H_Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3885, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-8R!H=6R!H_N-Sp-7R!H-2R!H", + kinetics = ArrheniusBM(A=(0.0151,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(69179,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-8R!H=6R!H_N-Sp-7R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-8R!H=6R!H_N-Sp-7R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-8R!H=6R!H_N-Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-8R!H=6R!H_N-Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3886, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_Sp-7R!H-2R!H", + kinetics = ArrheniusBM(A=(0.0155,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(66228.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_Sp-7R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_Sp-7R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3887, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_N-Sp-7R!H-2R!H", + kinetics = ArrheniusBM(A=(0.0166,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(80534.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_N-Sp-7R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_N-Sp-7R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_N-Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_N-Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3888, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=6R!H_Sp-7R!H-2R!H", + kinetics = ArrheniusBM(A=(2.92408e-05,'m^3/(mol*s)'), n=3.10396, w0=(301000,'J/mol'), E0=(55073,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0002812613287404993, var=0.06369549457082016, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=6R!H_Sp-7R!H-2R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=6R!H_Sp-7R!H-2R!H + Total Standard Deviation in ln(k): 0.5066610510841592"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=6R!H_Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 0.5066610510841592""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=6R!H_Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 0.5066610510841592 +""", +) + +entry( + index = 3889, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=6R!H_N-Sp-7R!H-2R!H", + kinetics = ArrheniusBM(A=(5.68935e-06,'m^3/(mol*s)'), n=3.38019, w0=(301000,'J/mol'), E0=(62274.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0002637208311743012, var=0.06290412593391498, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=6R!H_N-Sp-7R!H-2R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=6R!H_N-Sp-7R!H-2R!H + Total Standard Deviation in ln(k): 0.5034641045361948"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=6R!H_N-Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 0.5034641045361948""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=6R!H_N-Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 0.5034641045361948 +""", +) + +entry( + index = 3890, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_Sp-7R!H-2R!H", + kinetics = ArrheniusBM(A=(1.03479e-05,'m^3/(mol*s)'), n=3.25261, w0=(301000,'J/mol'), E0=(56299.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.00030788061551365704, var=0.05507117770014709, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_Sp-7R!H-2R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_Sp-7R!H-2R!H + Total Standard Deviation in ln(k): 0.4712297423747935"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 0.4712297423747935""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 0.4712297423747935 +""", +) + +entry( + index = 3891, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_N-Sp-7R!H-2R!H", + kinetics = ArrheniusBM(A=(5.03078e-05,'m^3/(mol*s)'), n=3.1193, w0=(301000,'J/mol'), E0=(75062.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.000272652575417157, var=0.045974371265467204, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_N-Sp-7R!H-2R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_N-Sp-7R!H-2R!H + Total Standard Deviation in ln(k): 0.430533035286282"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_N-Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 0.430533035286282""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_N-Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 0.430533035286282 +""", +) + +entry( + index = 3892, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-7R!H-6R!H_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.014,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(64744.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-7R!H-6R!H_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-7R!H-6R!H_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-7R!H-6R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-7R!H-6R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3893, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.0154,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(67985.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3894, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-7R!H=6R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00647,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(60661.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-7R!H=6R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-7R!H=6R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-7R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-7R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3895, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-7R!H=6R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00598,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(61519.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-7R!H=6R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-7R!H=6R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-7R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-7R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3896, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-7R!H=6R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00714,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(63530.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-7R!H=6R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-7R!H=6R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-7R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-7R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3897, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0066,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(64287,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3898, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-5R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-6R!H-R_Ext-10R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(5.836e-06,'m^3/(mol*s)'), n=2.984, w0=(301000,'J/mol'), E0=(62775.4,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-5R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-6R!H-R_Ext-10R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-5R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-6R!H-R_Ext-10R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-5R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-6R!H-R_Ext-10R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-5R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-6R!H-R_Ext-10R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3899, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0399,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3900, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0369,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3901, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-7R!H=6R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0131,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(62536.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-7R!H=6R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-7R!H=6R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-7R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-7R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3902, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-7R!H=6R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0121,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(62810.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-7R!H=6R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-7R!H=6R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-7R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-7R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3903, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-7R!H=6R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0153,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(62514.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-7R!H=6R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-7R!H=6R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-7R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-7R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3904, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-7R!H=6R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0142,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(62813.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-7R!H=6R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-7R!H=6R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-7R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-7R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3905, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.000661,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(48475.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3906, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_Sp-12R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000313,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(44606.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_Sp-12R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_Sp-12R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_Sp-12R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_Sp-12R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3907, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_N-Sp-12R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00033,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(42131.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_N-Sp-12R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_N-Sp-12R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_N-Sp-12R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_N-Sp-12R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3908, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.118714,'m^3/(mol*s)'), n=1.9713, w0=(301000,'J/mol'), E0=(55007.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03330833706597164, var=0.3414882095618264, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.2551961764764599"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.2551961764764599""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.2551961764764599 +""", +) + +entry( + index = 3909, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.00446,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3910, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3R-R_Ext-5R!H-R_Sp-12R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00211,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3R-R_Ext-5R!H-R_Sp-12R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3R-R_Ext-5R!H-R_Sp-12R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3R-R_Ext-5R!H-R_Sp-12R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3R-R_Ext-5R!H-R_Sp-12R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3911, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3R-R_Ext-5R!H-R_N-Sp-12R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00223,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3R-R_Ext-5R!H-R_N-Sp-12R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3R-R_Ext-5R!H-R_N-Sp-12R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3R-R_Ext-5R!H-R_N-Sp-12R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3R-R_Ext-5R!H-R_N-Sp-12R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3912, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.00316417,'m^3/(mol*s)'), n=2.35822, w0=(301000,'J/mol'), E0=(44738.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.00040158153393144515, var=0.01860398555066126, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 0.27444770232119914"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 0.27444770232119914""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 0.27444770232119914 +""", +) + +entry( + index = 3913, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_Sp-12R!H=5R!H", + kinetics = ArrheniusBM(A=(3.68256e-05,'m^3/(mol*s)'), n=2.81868, w0=(301000,'J/mol'), E0=(35673,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.00022694168217636914, var=0.05512706263189264, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_Sp-12R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_Sp-12R!H=5R!H + Total Standard Deviation in ln(k): 0.4712650216056649"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_Sp-12R!H=5R!H +Total Standard Deviation in ln(k): 0.4712650216056649""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_Sp-12R!H=5R!H +Total Standard Deviation in ln(k): 0.4712650216056649 +""", +) + +entry( + index = 3914, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_N-Sp-12R!H=5R!H", + kinetics = ArrheniusBM(A=(3.69581e-06,'m^3/(mol*s)'), n=3.04021, w0=(301000,'J/mol'), E0=(10606.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.00022972192795712242, var=0.043048776538086794, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_N-Sp-12R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_N-Sp-12R!H=5R!H + Total Standard Deviation in ln(k): 0.4165236158115029"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_N-Sp-12R!H=5R!H +Total Standard Deviation in ln(k): 0.4165236158115029""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_N-Sp-12R!H=5R!H +Total Standard Deviation in ln(k): 0.4165236158115029 +""", +) + +entry( + index = 3915, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00146,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(48801,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R_Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3916, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00171,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(49026.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3917, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.000692,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(45653,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H_Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3918, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.000809,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(46358.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3919, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.000731,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(42822.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H_Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3920, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.000854,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(43825.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3921, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.000955,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(38930.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3922, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R_Sp-11R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000451,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(37451.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R_Sp-11R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R_Sp-11R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R_Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R_Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3923, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-11R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000477,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(34632.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-11R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-11R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3924, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.00124,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(38120.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3925, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_Sp-11R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000585,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(35537,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_Sp-11R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_Sp-11R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3926, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-11R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000618,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(32922.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-11R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-11R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3927, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-1R!H-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.00472,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-1R!H-R_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-1R!H-R_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-1R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-1R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3928, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-3R-R_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00155,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-3R-R_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-3R-R_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-3R-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-3R-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3929, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-3R-R_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00181,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-3R-R_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-3R-R_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-3R-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-3R-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3930, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.00398,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3931, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00188,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3932, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00198,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3933, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-3R-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.0579357,'m^3/(mol*s)'), n=2.21696, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.018291554554153936, var=0.32417937490377746, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-3R-R_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-3R-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.18738972270641"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-3R-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.18738972270641""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-3R-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.18738972270641 +""", +) + +entry( + index = 3934, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.0375,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3935, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-5R!H-R_Sp-11R!H=5R!H", + kinetics = ArrheniusBM(A=(0.0177,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-5R!H-R_Sp-11R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-5R!H-R_Sp-11R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-5R!H-R_Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-5R!H-R_Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3936, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-5R!H-R_N-Sp-11R!H=5R!H", + kinetics = ArrheniusBM(A=(0.0187,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-5R!H-R_N-Sp-11R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-5R!H-R_N-Sp-11R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-5R!H-R_N-Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-5R!H-R_N-Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3937, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.000456177,'m^3/(mol*s)'), n=2.75066, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.35225327597471007, var=0.024470156003912613, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 1.1986579801001707"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 1.1986579801001707""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 1.1986579801001707 +""", +) + +entry( + index = 3938, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00026205,'m^3/(mol*s)'), n=2.72632, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.32709232769080243, var=0.024515419428138552, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H + Total Standard Deviation in ln(k): 1.1357294218288847"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 1.1357294218288847""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 1.1357294218288847 +""", +) + +entry( + index = 3939, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000653834,'m^3/(mol*s)'), n=2.61926, w0=(301000,'J/mol'), E0=(22684.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2163841552416075, var=0.02466703173865235, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H + Total Standard Deviation in ln(k): 0.8585372918729695"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 0.8585372918729695""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 0.8585372918729695 +""", +) + +entry( + index = 3940, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Ext-6R!H-R_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.0123,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Ext-6R!H-R_Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Ext-6R!H-R_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Ext-6R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Ext-6R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3941, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Ext-6R!H-R_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.0144,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Ext-6R!H-R_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Ext-6R!H-R_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Ext-6R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Ext-6R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3942, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-10R!H=5R!H_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00581,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-10R!H=5R!H_Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-10R!H=5R!H_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-10R!H=5R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-10R!H=5R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3943, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-10R!H=5R!H_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00679,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-10R!H=5R!H_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-10R!H=5R!H_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-10R!H=5R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-10R!H=5R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3944, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00613,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3945, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00717,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3946, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.00574,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3947, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R_Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00271,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R_Sp-10R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R_Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3948, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00287,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-10R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3949, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.00744,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3950, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00352,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_Sp-10R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3951, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00372,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-10R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3952, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H", + kinetics = ArrheniusBM(A=(0.0187,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3953, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H", + kinetics = ArrheniusBM(A=(0.0206,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3954, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00614,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3955, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00718,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3956, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00677,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3957, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00792,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3958, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-13R!H-R_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.00693,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(77692.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-13R!H-R_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-13R!H-R_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-13R!H-R_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-13R!H-R_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3959, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-13R!H-R_Ext-8R!H-R_Sp-15R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00327,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(78689.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-13R!H-R_Ext-8R!H-R_Sp-15R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-13R!H-R_Ext-8R!H-R_Sp-15R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-13R!H-R_Ext-8R!H-R_Sp-15R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-13R!H-R_Ext-8R!H-R_Sp-15R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3960, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-13R!H-R_Ext-8R!H-R_N-Sp-15R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00346,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(75510.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-13R!H-R_Ext-8R!H-R_N-Sp-15R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-13R!H-R_Ext-8R!H-R_N-Sp-15R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-13R!H-R_Ext-8R!H-R_N-Sp-15R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-13R!H-R_Ext-8R!H-R_N-Sp-15R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3961, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-12R!H=11R!H", + kinetics = ArrheniusBM(A=(0.00227,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(63352.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-12R!H=11R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-12R!H=11R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-12R!H=11R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-12R!H=11R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3962, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-12R!H=11R!H", + kinetics = ArrheniusBM(A=(0.00266,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(62767.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-12R!H=11R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-12R!H=11R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-12R!H=11R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-12R!H=11R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3963, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-14R!H=8R!H_Sp-12R!H=11R!H", + kinetics = ArrheniusBM(A=(0.00107,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(58198,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-14R!H=8R!H_Sp-12R!H=11R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-14R!H=8R!H_Sp-12R!H=11R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-14R!H=8R!H_Sp-12R!H=11R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-14R!H=8R!H_Sp-12R!H=11R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3964, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-14R!H=8R!H_N-Sp-12R!H=11R!H", + kinetics = ArrheniusBM(A=(0.00126,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(58439.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-14R!H=8R!H_N-Sp-12R!H=11R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-14R!H=8R!H_N-Sp-12R!H=11R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-14R!H=8R!H_N-Sp-12R!H=11R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-14R!H=8R!H_N-Sp-12R!H=11R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3965, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-14R!H=8R!H_Sp-12R!H=11R!H", + kinetics = ArrheniusBM(A=(0.00113,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(54500.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-14R!H=8R!H_Sp-12R!H=11R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-14R!H=8R!H_Sp-12R!H=11R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-14R!H=8R!H_Sp-12R!H=11R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-14R!H=8R!H_Sp-12R!H=11R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3966, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-14R!H=8R!H_N-Sp-12R!H=11R!H", + kinetics = ArrheniusBM(A=(0.00133,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(55252.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-14R!H=8R!H_N-Sp-12R!H=11R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-14R!H=8R!H_N-Sp-12R!H=11R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-14R!H=8R!H_N-Sp-12R!H=11R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-14R!H=8R!H_N-Sp-12R!H=11R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3967, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.0013,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(70085.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3968, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_Sp-14R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000615,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(69685.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_Sp-14R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_Sp-14R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_Sp-14R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_Sp-14R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3969, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_N-Sp-14R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00065,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(66735.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_N-Sp-14R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_N-Sp-14R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_N-Sp-14R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_N-Sp-14R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3970, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.000427,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(57500.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3971, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.000499,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(57157.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3972, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.000202,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(53225.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3973, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_N-Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.000236,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(53568.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_N-Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_N-Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3974, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.000213,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(49990.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3975, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_N-Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.000249,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(50748.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_N-Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_N-Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3976, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.000211,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(63474.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3977, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H", + kinetics = ArrheniusBM(A=(9.97e-05,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(60077.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3978, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000105,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(57422.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3979, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.000285,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(54209.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3980, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000135,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(50599.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3981, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000142,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(47830.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3982, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_4R!H-inRing_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.00865499,'m^3/(mol*s)'), n=2.14627, w0=(301000,'J/mol'), E0=(72166.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.020595717185240673, var=0.28729664928894466, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_4R!H-inRing_Ext-8R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_4R!H-inRing_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.1262872488392282"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_4R!H-inRing_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.1262872488392282""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_4R!H-inRing_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.1262872488392282 +""", +) + +entry( + index = 3983, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_N-4R!H-inRing_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.762401,'m^3/(mol*s)'), n=1.6519, w0=(301000,'J/mol'), E0=(70749.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.012754800948999886, var=0.2810204883230029, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_N-4R!H-inRing_Ext-8R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_N-4R!H-inRing_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.0947846798398608"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_N-4R!H-inRing_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.0947846798398608""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_N-4R!H-inRing_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.0947846798398608 +""", +) + +entry( + index = 3984, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.000329056,'m^3/(mol*s)'), n=2.47099, w0=(301000,'J/mol'), E0=(57682.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-7.620162820141654e-05, var=0.0654740691306479, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 0.5131610936681441"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 0.5131610936681441""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 0.5131610936681441 +""", +) + +entry( + index = 3985, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H", + kinetics = ArrheniusBM(A=(2.55855e-05,'m^3/(mol*s)'), n=2.70879, w0=(301000,'J/mol'), E0=(52643.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=5.350432845587147e-05, var=0.022194353941022982, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H + Total Standard Deviation in ln(k): 0.2987952461458518"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 0.2987952461458518""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 0.2987952461458518 +""", +) + +entry( + index = 3986, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000378346,'m^3/(mol*s)'), n=2.41362, w0=(301000,'J/mol'), E0=(55012.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.1245030793736887e-06, var=0.008417058250709961, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H + Total Standard Deviation in ln(k): 0.18392629699806448"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 0.18392629699806448""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 0.18392629699806448 +""", +) + +entry( + index = 3987, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.0626625,'m^3/(mol*s)'), n=1.88344, w0=(301000,'J/mol'), E0=(56124.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-9.920346203308523e-05, var=0.07492937574339811, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 0.5490100120315218"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 0.5490100120315218""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 0.5490100120315218 +""", +) + +entry( + index = 3988, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00458169,'m^3/(mol*s)'), n=2.13183, w0=(301000,'J/mol'), E0=(50869.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=3.8002860491098257e-05, var=0.02542611527545397, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H + Total Standard Deviation in ln(k): 0.31976188830511676"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 0.31976188830511676""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 0.31976188830511676 +""", +) + +entry( + index = 3989, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H", + kinetics = ArrheniusBM(A=(0.111895,'m^3/(mol*s)'), n=1.77835, w0=(301000,'J/mol'), E0=(53777.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=8.337175932761247e-07, var=0.00935463695846449, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H + Total Standard Deviation in ln(k): 0.19389881287761668"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 0.19389881287761668""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 0.19389881287761668 +""", +) + +entry( + index = 3990, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.000305,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(54385.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3991, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000144,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(53981.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3992, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000152,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(50942,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3993, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.000395,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(55259.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3994, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000187,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(53247,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3995, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000197,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(50634.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3996, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.000412,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(45206,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3997, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000195,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(44751.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3998, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000206,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(41616,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3999, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.000534,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(46170.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4000, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000252,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(44078.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4001, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000266,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(41315.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4002, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00123,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(67775.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4003, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00135,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(75977.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4004, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.000402,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(53962.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4005, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.00047,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(54945.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4006, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.000444,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(63811.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4007, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.000519,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(61334.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4008, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H", + kinetics = ArrheniusBM(A=(1.19352e-12,'m^3/(mol*s)'), n=4.98438, w0=(301000,'J/mol'), E0=(14549.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03181486904739148, var=2.319053158817259, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H + Total Standard Deviation in ln(k): 3.132835187246601"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 3.132835187246601""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 3.132835187246601 +""", +) + +entry( + index = 4009, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H", + kinetics = ArrheniusBM(A=(1.22681e-11,'m^3/(mol*s)'), n=4.707, w0=(301000,'J/mol'), E0=(8415.07,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.4708037944006398, var=0.5536891016288482, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H + Total Standard Deviation in ln(k): 5.187216072880414"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 5.187216072880414""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 5.187216072880414 +""", +) + +entry( + index = 4010, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(1.88836e-05,'m^3/(mol*s)'), n=2.81396, w0=(301000,'J/mol'), E0=(50540.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.00010409486042916987, var=0.0033541794875134316, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_4R!H-inRing + Total Standard Deviation in ln(k): 0.11636633526688783"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 0.11636633526688783""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 0.11636633526688783 +""", +) + +entry( + index = 4011, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00182123,'m^3/(mol*s)'), n=2.31004, w0=(301000,'J/mol'), E0=(48604.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-9.758454791181284e-05, var=0.00317090589819065, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_N-4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 0.11313341798985105"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 0.11313341798985105""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 0.11313341798985105 +""", +) + +entry( + index = 4012, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000159142,'m^3/(mol*s)'), n=2.53178, w0=(301000,'J/mol'), E0=(58324.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.003400892424141571, var=0.28346290127133467, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_4R!H-inRing + Total Standard Deviation in ln(k): 1.0758906522747154"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 1.0758906522747154""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 1.0758906522747154 +""", +) + +entry( + index = 4013, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0134389,'m^3/(mol*s)'), n=2.0374, w0=(301000,'J/mol'), E0=(56756.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0038118770645565827, var=0.3233690310261167, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_N-4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 1.1495811261301927"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 1.1495811261301927""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 1.1495811261301927 +""", +) + +entry( + index = 4014, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_4R!H-inRing_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.000287,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(52440.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_4R!H-inRing_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_4R!H-inRing_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4015, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_4R!H-inRing_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.000372,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(52583.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_4R!H-inRing_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_4R!H-inRing_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4016, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.000388,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(43593.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4017, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.000503,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(43820.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4018, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.000317,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(61149.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4019, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.000411,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(59980.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4020, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.000428,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(53037.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4021, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.000555,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(51924.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4022, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000231,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(73569.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4023, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000312,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(65152.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4024, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00064,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(67183.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4025, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000865,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(58624.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4026, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00307,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(64353.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4027, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00414,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(55699.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4028, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0085,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(57889,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4029, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0115,'m^3/(mol*s)'), n=2.41, w0=(289500,'J/mol'), E0=(48974.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4030, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000322,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(46831.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4031, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000435,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(36155,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4032, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000355,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(49353.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4033, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00048,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(39310.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4034, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_4R!H-inRing_Sp-9R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000256,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(47732.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_4R!H-inRing_Sp-9R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_4R!H-inRing_Sp-9R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_4R!H-inRing_Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_4R!H-inRing_Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4035, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_4R!H-inRing_N-Sp-9R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000275,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(54846.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_4R!H-inRing_N-Sp-9R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_4R!H-inRing_N-Sp-9R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_4R!H-inRing_N-Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_4R!H-inRing_N-Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4036, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_N-4R!H-inRing_Sp-9R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000346,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(36947.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_N-4R!H-inRing_Sp-9R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_N-4R!H-inRing_Sp-9R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_N-4R!H-inRing_Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_N-4R!H-inRing_Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4037, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_N-4R!H-inRing_N-Sp-9R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000372,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(44430.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_N-4R!H-inRing_N-Sp-9R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_N-4R!H-inRing_N-Sp-9R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_N-4R!H-inRing_N-Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_N-4R!H-inRing_N-Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4038, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_4R!H-inRing_Sp-9R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000282,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(50313.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_4R!H-inRing_Sp-9R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_4R!H-inRing_Sp-9R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_4R!H-inRing_Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_4R!H-inRing_Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4039, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_4R!H-inRing_N-Sp-9R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000303,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(65673.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_4R!H-inRing_N-Sp-9R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_4R!H-inRing_N-Sp-9R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_4R!H-inRing_N-Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_4R!H-inRing_N-Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4040, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_N-4R!H-inRing_Sp-9R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000381,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(40167.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_N-4R!H-inRing_Sp-9R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_N-4R!H-inRing_Sp-9R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_N-4R!H-inRing_Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_N-4R!H-inRing_Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4041, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_N-4R!H-inRing_N-Sp-9R!H-2R!H", + kinetics = ArrheniusBM(A=(0.00041,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(56399,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_N-4R!H-inRing_N-Sp-9R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_N-4R!H-inRing_N-Sp-9R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_N-4R!H-inRing_N-Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_N-4R!H-inRing_N-Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4042, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.0101,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(78991.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4043, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Sp-13R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00476,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(79815,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Sp-13R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Sp-13R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Sp-13R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Sp-13R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4044, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_N-Sp-13R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00502,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(76883.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_N-Sp-13R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_N-Sp-13R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_N-Sp-13R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_N-Sp-13R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4045, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.0033,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(68112.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4046, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.00386,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(67775.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4047, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.00156,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(63947.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4048, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.00182,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(64318.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4049, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.00165,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(60803.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4050, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.00193,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(61571.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4051, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00132,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(69713.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4052, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00112,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(71419.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4053, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000623,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(66373,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4054, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000528,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(68157.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4055, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000658,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(63702.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4056, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000558,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(65503,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4057, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(7.37237e-15,'m^3/(mol*s)'), n=5.82386, w0=(301000,'J/mol'), E0=(18879.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0010870882614313702, var=0.20859044000178534, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 0.9183280159760054"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.9183280159760054""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.9183280159760054 +""", +) + +entry( + index = 4058, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Sp-13R!H=7R!H", + kinetics = ArrheniusBM(A=(0.000357633,'m^3/(mol*s)'), n=2.73142, w0=(301000,'J/mol'), E0=(73687,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0010494784934881602, var=0.1965652935136409, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Sp-13R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Sp-13R!H=7R!H + Total Standard Deviation in ln(k): 0.8914499030144413"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Sp-13R!H=7R!H +Total Standard Deviation in ln(k): 0.8914499030144413""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Sp-13R!H=7R!H +Total Standard Deviation in ln(k): 0.8914499030144413 +""", +) + +entry( + index = 4059, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_N-Sp-13R!H=7R!H", + kinetics = ArrheniusBM(A=(1.05886e-14,'m^3/(mol*s)'), n=5.69246, w0=(301000,'J/mol'), E0=(12394.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0011212582328861665, var=0.20581832459020363, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_N-Sp-13R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_N-Sp-13R!H=7R!H + Total Standard Deviation in ln(k): 0.9123094943737988"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_N-Sp-13R!H=7R!H +Total Standard Deviation in ln(k): 0.9123094943737988""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_N-Sp-13R!H=7R!H +Total Standard Deviation in ln(k): 0.9123094943737988 +""", +) + +entry( + index = 4060, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000238514,'m^3/(mol*s)'), n=2.732, w0=(301000,'J/mol'), E0=(60658.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-6.420323901611106e-05, var=0.06381792533963578, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 0.5066016995929773"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 0.5066016995929773""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 0.5066016995929773 +""", +) + +entry( + index = 4061, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(9.01034e-05,'m^3/(mol*s)'), n=2.87403, w0=(301000,'J/mol'), E0=(63814.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-5.885361874089412e-05, var=0.0612046028508134, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 0.49611059156376675"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 0.49611059156376675""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 0.49611059156376675 +""", +) + +entry( + index = 4062, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(1.87813e-05,'m^3/(mol*s)'), n=2.96695, w0=(301000,'J/mol'), E0=(55661.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=5.3655229942723154e-05, var=0.02237884527187365, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 0.3000343704880896"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 0.3000343704880896""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 0.3000343704880896 +""", +) + +entry( + index = 4063, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(6.7661e-06,'m^3/(mol*s)'), n=3.11658, w0=(301000,'J/mol'), E0=(58803,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=5.607072635414338e-05, var=0.02188445244987046, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 0.2967092523848404"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 0.2967092523848404""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 0.2967092523848404 +""", +) + +entry( + index = 4064, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000236995,'m^3/(mol*s)'), n=2.69031, w0=(301000,'J/mol'), E0=(57864.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.103649832548942e-06, var=0.00820325059498745, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 0.18157523348530252"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 0.18157523348530252""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 0.18157523348530252 +""", +) + +entry( + index = 4065, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(8.87363e-05,'m^3/(mol*s)'), n=2.83518, w0=(301000,'J/mol'), E0=(61124,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.1358422136266014e-06, var=0.008810848259885547, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 0.1881795548261009"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 0.1881795548261009""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 0.1881795548261009 +""", +) + +entry( + index = 4066, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00191,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(60621.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4067, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00161,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(62351.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4068, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Sp-11R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0009,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(60195.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Sp-11R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Sp-11R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Sp-11R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Sp-11R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4069, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Sp-11R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000763,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(61881.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Sp-11R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Sp-11R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Sp-11R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Sp-11R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4070, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_N-Sp-11R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000951,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(57188.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_N-Sp-11R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_N-Sp-11R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_N-Sp-11R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_N-Sp-11R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4071, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000806,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(58938.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4072, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00247,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(61437.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4073, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00209,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(63099.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4074, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_4R!H-inRing_Sp-11R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00117,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(59454.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_4R!H-inRing_Sp-11R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_4R!H-inRing_Sp-11R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_4R!H-inRing_Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_4R!H-inRing_Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4075, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_4R!H-inRing_N-Sp-11R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00123,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(56867.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_4R!H-inRing_N-Sp-11R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_4R!H-inRing_N-Sp-11R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_4R!H-inRing_N-Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_4R!H-inRing_N-Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4076, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_N-4R!H-inRing_Sp-11R!H=7R!H", + kinetics = ArrheniusBM(A=(0.000989,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(61180.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_N-4R!H-inRing_Sp-11R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_N-4R!H-inRing_Sp-11R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_N-4R!H-inRing_Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_N-4R!H-inRing_Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4077, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_N-4R!H-inRing_N-Sp-11R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00104,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(58562.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_N-4R!H-inRing_N-Sp-11R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_N-4R!H-inRing_N-Sp-11R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_N-4R!H-inRing_N-Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_N-4R!H-inRing_N-Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4078, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing_Ext-2C-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(1.96566e-05,'m^3/(mol*s)'), n=3.04597, w0=(301000,'J/mol'), E0=(73100.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.002016328458582803, var=0.03558858686609396, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing_Ext-2C-R_Ext-7R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing_Ext-2C-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 0.3832581722438306"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing_Ext-2C-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.3832581722438306""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing_Ext-2C-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.3832581722438306 +""", +) + +entry( + index = 4079, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H", + kinetics = ArrheniusBM(A=(0.000895,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(71266.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4080, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H", + kinetics = ArrheniusBM(A=(0.000987,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(74204.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4081, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-10R!H-R", + kinetics = ArrheniusBM(A=(6.74996e-05,'m^3/(mol*s)'), n=3.0765, w0=(301000,'J/mol'), E0=(78758.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4741672339206805, var=0.48541542138710936, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-10R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-10R!H-R + Total Standard Deviation in ln(k): 2.5881091817699287"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 2.5881091817699287""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 2.5881091817699287 +""", +) + +entry( + index = 4082, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(2.50863e-06,'m^3/(mol*s)'), n=3.35195, w0=(301000,'J/mol'), E0=(62298.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.053325956445363025, var=0.24030805578475867, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-7R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 1.1167305198587474"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.1167305198587474""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.1167305198587474 +""", +) + +entry( + index = 4083, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00236,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(66837.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4084, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00276,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(68029.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4085, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H", + kinetics = ArrheniusBM(A=(5.51882e-05,'m^3/(mol*s)'), n=2.95857, w0=(301000,'J/mol'), E0=(62962.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0008780741444783112, var=0.012222849702713675, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H + Total Standard Deviation in ln(k): 0.22384370744195875"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 0.22384370744195875""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 0.22384370744195875 +""", +) + +entry( + index = 4086, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H", + kinetics = ArrheniusBM(A=(0.0012724,'m^3/(mol*s)'), n=2.54801, w0=(301000,'J/mol'), E0=(73138.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.00015531624800507767, var=0.30180518891979513, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H + Total Standard Deviation in ln(k): 1.1017275226612249"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 1.1017275226612249""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 1.1017275226612249 +""", +) + +entry( + index = 4087, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-2C-R_Ext-7R!H-R_Sp-10R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00307,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(59022.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-2C-R_Ext-7R!H-R_Sp-10R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-2C-R_Ext-7R!H-R_Sp-10R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-2C-R_Ext-7R!H-R_Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-2C-R_Ext-7R!H-R_Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4088, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-2C-R_Ext-7R!H-R_N-Sp-10R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00339,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(61778.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-2C-R_Ext-7R!H-R_N-Sp-10R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-2C-R_Ext-7R!H-R_N-Sp-10R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-2C-R_Ext-7R!H-R_N-Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-2C-R_Ext-7R!H-R_N-Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4089, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_Sp-8R!H-2C", + kinetics = ArrheniusBM(A=(0.00244,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(59888.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_Sp-8R!H-2C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_Sp-8R!H-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_Sp-8R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_Sp-8R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4090, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_N-Sp-8R!H-2C", + kinetics = ArrheniusBM(A=(0.00263,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(65561.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_N-Sp-8R!H-2C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_N-Sp-8R!H-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_N-Sp-8R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_N-Sp-8R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4091, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_Sp-8R!H-2C", + kinetics = ArrheniusBM(A=(0.00269,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(62690.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_Sp-8R!H-2C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_Sp-8R!H-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_Sp-8R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_Sp-8R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4092, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_N-Sp-8R!H-2C", + kinetics = ArrheniusBM(A=(0.0029,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(77137.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_N-Sp-8R!H-2C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_N-Sp-8R!H-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_N-Sp-8R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_N-Sp-8R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4093, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00124,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(67096.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4094, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00105,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(68745.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4095, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00137,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(68684.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4096, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00116,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(70319.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4097, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H", + kinetics = ArrheniusBM(A=(4.08713e-13,'m^3/(mol*s)'), n=5.32245, w0=(301000,'J/mol'), E0=(28029.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0011370978146422713, var=0.18612763378798222, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H + Total Standard Deviation in ln(k): 0.8677501001373659"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H +Total Standard Deviation in ln(k): 0.8677501001373659""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H +Total Standard Deviation in ln(k): 0.8677501001373659 +""", +) + +entry( + index = 4098, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H", + kinetics = ArrheniusBM(A=(5.57707e-12,'m^3/(mol*s)'), n=5.00385, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=2.6821606952311585, var=0.052072383855853284, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H + Total Standard Deviation in ln(k): 7.196565223087074"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H +Total Standard Deviation in ln(k): 7.196565223087074""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H +Total Standard Deviation in ln(k): 7.196565223087074 +""", +) + +entry( + index = 4099, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(3.77694e-06,'m^3/(mol*s)'), n=3.23452, w0=(301000,'J/mol'), E0=(52161.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-5.2602681107416034e-05, var=0.056486129544427055, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 0.47659376035902534"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 0.47659376035902534""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 0.47659376035902534 +""", +) + +entry( + index = 4100, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(1.72213e-06,'m^3/(mol*s)'), n=3.34962, w0=(301000,'J/mol'), E0=(55234.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-4.563519847057456e-05, var=0.05568739998313066, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 0.4731956111332318"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 0.4731956111332318""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 0.4731956111332318 +""", +) + +entry( + index = 4101, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000177355,'m^3/(mol*s)'), n=2.74211, w0=(301000,'J/mol'), E0=(60428.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0031380057673360026, var=0.28267754412836454, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 1.0737505232233522"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 1.0737505232233522""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 1.0737505232233522 +""", +) + +entry( + index = 4102, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(8.42862e-05,'m^3/(mol*s)'), n=2.84815, w0=(301000,'J/mol'), E0=(63318.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.003081568014137097, var=0.2805430167415236, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 1.0695768615985555"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 1.0695768615985555""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 1.0695768615985555 +""", +) + +entry( + index = 4103, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_Sp-9R!H=8R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00179,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(57314.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_Sp-9R!H=8R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_Sp-9R!H=8R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_Sp-9R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_Sp-9R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4104, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_Sp-9R!H=8R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00152,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(58941.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_Sp-9R!H=8R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_Sp-9R!H=8R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_Sp-9R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_Sp-9R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4105, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_N-Sp-9R!H=8R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00233,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(58678.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_N-Sp-9R!H=8R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_N-Sp-9R!H=8R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_N-Sp-9R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_N-Sp-9R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4106, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_N-Sp-9R!H=8R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00197,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(60321.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_N-Sp-9R!H=8R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_N-Sp-9R!H=8R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_N-Sp-9R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_N-Sp-9R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4107, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_Sp-9R!H=8R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00198,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(65981.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_Sp-9R!H=8R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_Sp-9R!H=8R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_Sp-9R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_Sp-9R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4108, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_Sp-9R!H=8R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00168,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(67467.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_Sp-9R!H=8R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_Sp-9R!H=8R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_Sp-9R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_Sp-9R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4109, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-Sp-9R!H=8R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00257,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(64813.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-Sp-9R!H=8R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-Sp-9R!H=8R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-Sp-9R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-Sp-9R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4110, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-Sp-9R!H=8R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00217,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(66345.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-Sp-9R!H=8R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-Sp-9R!H=8R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-Sp-9R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-Sp-9R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4111, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00637,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(84102.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4112, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00589,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(84521.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4113, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00209,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(71572.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4114, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00193,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(72227.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4115, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00244,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(71341.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4116, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00226,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(72016.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4117, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.0116,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(79722.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4118, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00547,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(77609.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4119, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00577,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(74918.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4120, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.000854976,'m^3/(mol*s)'), n=2.68729, w0=(301000,'J/mol'), E0=(76075.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0002961288369380348, var=0.04599937556817548, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 0.4307088967237982"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.4307088967237982""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.4307088967237982 +""", +) + +entry( + index = 4121, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H", + kinetics = ArrheniusBM(A=(1.51673e-05,'m^3/(mol*s)'), n=3.10655, w0=(301000,'J/mol'), E0=(70705.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.00028233694097404825, var=0.04495310451837735, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H + Total Standard Deviation in ln(k): 0.4257562710439662"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H +Total Standard Deviation in ln(k): 0.4257562710439662""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H +Total Standard Deviation in ln(k): 0.4257562710439662 +""", +) + +entry( + index = 4122, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00011586,'m^3/(mol*s)'), n=2.89523, w0=(301000,'J/mol'), E0=(72632.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.00029112418774076003, var=0.048420162121841324, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H + Total Standard Deviation in ln(k): 0.44186503825403206"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H +Total Standard Deviation in ln(k): 0.44186503825403206""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H +Total Standard Deviation in ln(k): 0.44186503825403206 +""", +) + +entry( + index = 4123, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00253,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(71701.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4124, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00234,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(72411,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4125, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0012,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(71025.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4126, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0011,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(71695.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4127, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00126,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(68348.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4128, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00117,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(69036.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4129, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.147577,'m^3/(mol*s)'), n=2.29591, w0=(301000,'J/mol'), E0=(87560.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.00514543368160043, var=0.40576856051058396, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R + Total Standard Deviation in ln(k): 1.2899437780607907"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 1.2899437780607907""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 1.2899437780607907 +""", +) + +entry( + index = 4130, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(3.06352e-15,'m^3/(mol*s)'), n=6.0534, w0=(301000,'J/mol'), E0=(21661.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.25358048320345367, var=0.28861227123618804, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R + Total Standard Deviation in ln(k): 1.7141336249048178"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 1.7141336249048178""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 1.7141336249048178 +""", +) + +entry( + index = 4131, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0119,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4132, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.011,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4133, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.00580623,'m^3/(mol*s)'), n=2.61324, w0=(301000,'J/mol'), E0=(72519.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-6.442249664347115e-05, var=0.07026889582195966, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 0.531582671921884"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.531582671921884""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.531582671921884 +""", +) + +entry( + index = 4134, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H", + kinetics = ArrheniusBM(A=(8.39387e-05,'m^3/(mol*s)'), n=3.05878, w0=(301000,'J/mol'), E0=(66961.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-6.629353454957687e-05, var=0.07398203089606267, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H + Total Standard Deviation in ln(k): 0.5454472511804845"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H +Total Standard Deviation in ln(k): 0.5454472511804845""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H +Total Standard Deviation in ln(k): 0.5454472511804845 +""", +) + +entry( + index = 4135, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00081399,'m^3/(mol*s)'), n=2.81937, w0=(301000,'J/mol'), E0=(69127.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-6.858575012623671e-05, var=0.07621580859110327, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H + Total Standard Deviation in ln(k): 0.5536237639881093"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H +Total Standard Deviation in ln(k): 0.5536237639881093""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H +Total Standard Deviation in ln(k): 0.5536237639881093 +""", +) + +entry( + index = 4136, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.000279108,'m^3/(mol*s)'), n=2.89532, w0=(301000,'J/mol'), E0=(65098.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.009718783562527535, var=0.029479330319844715, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 0.3686229615875807"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.3686229615875807""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.3686229615875807 +""", +) + +entry( + index = 4137, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H", + kinetics = ArrheniusBM(A=(5.73209e-06,'m^3/(mol*s)'), n=3.29592, w0=(301000,'J/mol'), E0=(59873.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.011773461650110402, var=0.029909065499177583, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H + Total Standard Deviation in ln(k): 0.37628520994908526"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H +Total Standard Deviation in ln(k): 0.37628520994908526""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H +Total Standard Deviation in ln(k): 0.37628520994908526 +""", +) + +entry( + index = 4138, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H", + kinetics = ArrheniusBM(A=(4.16197e-05,'m^3/(mol*s)'), n=3.08884, w0=(301000,'J/mol'), E0=(61757.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.013015839764593364, var=0.030772302480575588, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H + Total Standard Deviation in ln(k): 0.3843744626992574"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H +Total Standard Deviation in ln(k): 0.3843744626992574""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H +Total Standard Deviation in ln(k): 0.3843744626992574 +""", +) + +entry( + index = 4139, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00391,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(67897.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4140, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00361,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(68389.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4141, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00457,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(67738.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4142, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00422,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(68252.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4143, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.0167,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(70696.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4144, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H", + kinetics = ArrheniusBM(A=(0.0079,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(70263.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4145, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00834,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(67152.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4146, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.0217,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(71628.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4147, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H", + kinetics = ArrheniusBM(A=(0.0102,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(70902.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4148, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H", + kinetics = ArrheniusBM(A=(0.0108,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(68246,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4149, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.00105491,'m^3/(mol*s)'), n=2.68745, w0=(301000,'J/mol'), E0=(65597.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0003100224802339425, var=0.04192599717303053, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 0.41126527238264504"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.41126527238264504""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.41126527238264504 +""", +) + +entry( + index = 4150, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H", + kinetics = ArrheniusBM(A=(4.90746e-05,'m^3/(mol*s)'), n=2.98902, w0=(301000,'J/mol'), E0=(63065.9,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.00033602494212908946, var=0.04521079222107081, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H + Total Standard Deviation in ln(k): 0.4271076870290604"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H +Total Standard Deviation in ln(k): 0.4271076870290604""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H +Total Standard Deviation in ln(k): 0.4271076870290604 +""", +) + +entry( + index = 4151, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00103635,'m^3/(mol*s)'), n=2.64437, w0=(301000,'J/mol'), E0=(65576.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.00032708024984949905, var=0.04459730448953024, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H + Total Standard Deviation in ln(k): 0.4241832446499117"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H +Total Standard Deviation in ln(k): 0.4241832446499117""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H +Total Standard Deviation in ln(k): 0.4241832446499117 +""", +) + +entry( + index = 4152, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.000255283,'m^3/(mol*s)'), n=2.9072, w0=(301000,'J/mol'), E0=(64901,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.00032910986993654685, var=0.040239468563734476, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 0.4029723113507753"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.4029723113507753""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.4029723113507753 +""", +) + +entry( + index = 4153, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H", + kinetics = ArrheniusBM(A=(5.86294e-06,'m^3/(mol*s)'), n=3.29341, w0=(301000,'J/mol'), E0=(60990.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.00030781724781420763, var=0.040005957799796495, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H + Total Standard Deviation in ln(k): 0.4017502840630306"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H +Total Standard Deviation in ln(k): 0.4017502840630306""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H +Total Standard Deviation in ln(k): 0.4017502840630306 +""", +) + +entry( + index = 4154, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H", + kinetics = ArrheniusBM(A=(4.98129e-05,'m^3/(mol*s)'), n=3.06474, w0=(301000,'J/mol'), E0=(62983.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0003462997984251775, var=0.044149836934478916, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H + Total Standard Deviation in ln(k): 0.42210227967708885"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H +Total Standard Deviation in ln(k): 0.42210227967708885""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H +Total Standard Deviation in ln(k): 0.42210227967708885 +""", +) + +entry( + index = 4155, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-10R!H=6R!H", + kinetics = ArrheniusBM(A=(0.0109,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(77380.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-10R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-10R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-10R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-10R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4156, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-10R!H=6R!H", + kinetics = ArrheniusBM(A=(0.012,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(79321.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-10R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-10R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-10R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-10R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4157, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H", + kinetics = ArrheniusBM(A=(1.02107e-05,'m^3/(mol*s)'), n=3.22449, w0=(301000,'J/mol'), E0=(67496.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0002804575498340038, var=0.0383028725254957, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H + Total Standard Deviation in ln(k): 0.39305376833408884"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H +Total Standard Deviation in ln(k): 0.39305376833408884""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H +Total Standard Deviation in ln(k): 0.39305376833408884 +""", +) + +entry( + index = 4158, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H", + kinetics = ArrheniusBM(A=(4.84594e-06,'m^3/(mol*s)'), n=3.33385, w0=(301000,'J/mol'), E0=(68087.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.00026053268838343327, var=0.03319937729733323, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H + Total Standard Deviation in ln(k): 0.3659312944402254"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H +Total Standard Deviation in ln(k): 0.3659312944402254""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H +Total Standard Deviation in ln(k): 0.3659312944402254 +""", +) + +entry( + index = 4159, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00238,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(69520.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4160, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0022,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(70113,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4161, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00263,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(71996.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4162, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00243,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(72498.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4163, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(8.99385e-06,'m^3/(mol*s)'), n=3.53838, w0=(301000,'J/mol'), E0=(75237.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=2.5862266639720364, var=7.023473800205234, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 11.810973228758547"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.810973228758547""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.810973228758547 +""", +) + +entry( + index = 4164, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(6.38784e-07,'m^3/(mol*s)'), n=3.76509, w0=(301000,'J/mol'), E0=(64142,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10028469803664242, var=0.13299272899784975, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.9830617625775235"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.9830617625775235""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.9830617625775235 +""", +) + +entry( + index = 4165, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0192,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4166, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0177,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4167, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-10R!H=6R!H", + kinetics = ArrheniusBM(A=(4.72835e-05,'m^3/(mol*s)'), n=3.1986, w0=(301000,'J/mol'), E0=(63878,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-6.399501982525992e-05, var=0.06590708406787511, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-10R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-10R!H=6R!H + Total Standard Deviation in ln(k): 0.5148238993232621"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-10R!H=6R!H +Total Standard Deviation in ln(k): 0.5148238993232621""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-10R!H=6R!H +Total Standard Deviation in ln(k): 0.5148238993232621 +""", +) + +entry( + index = 4168, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-10R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00475055,'m^3/(mol*s)'), n=2.60765, w0=(301000,'J/mol'), E0=(73526,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0024834035954103394, var=0.3516023124483745, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-10R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-10R!H=6R!H + Total Standard Deviation in ln(k): 1.194968688286595"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-10R!H=6R!H +Total Standard Deviation in ln(k): 1.194968688286595""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-10R!H=6R!H +Total Standard Deviation in ln(k): 1.194968688286595 +""", +) + +entry( + index = 4169, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H", + kinetics = ArrheniusBM(A=(5.2596e-06,'m^3/(mol*s)'), n=3.37473, w0=(301000,'J/mol'), E0=(56655.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.008275462611903065, var=0.024719787222317786, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H + Total Standard Deviation in ln(k): 0.335987644260643"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H +Total Standard Deviation in ln(k): 0.335987644260643""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H +Total Standard Deviation in ln(k): 0.335987644260643 +""", +) + +entry( + index = 4170, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00026341,'m^3/(mol*s)'), n=2.87368, w0=(301000,'J/mol'), E0=(64946.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.014944532190235636, var=0.08779674096736916, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H + Total Standard Deviation in ln(k): 0.6315624004615131"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H +Total Standard Deviation in ln(k): 0.6315624004615131""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H +Total Standard Deviation in ln(k): 0.6315624004615131 +""", +) + +entry( + index = 4171, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00629,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(66874.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4172, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00581,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(67276.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4173, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00735,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(66772.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4174, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00679,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(67197.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4175, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-9R!H=6R!H_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.0157,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(67665.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-9R!H=6R!H_Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-9R!H=6R!H_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-9R!H=6R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-9R!H=6R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4176, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-9R!H=6R!H_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.0204,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(69208.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-9R!H=6R!H_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-9R!H=6R!H_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-9R!H=6R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-9R!H=6R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4177, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.0174,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(77292.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4178, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.0225,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(76136.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4179, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(4.86848e-05,'m^3/(mol*s)'), n=3.06124, w0=(301000,'J/mol'), E0=(58217.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0003453473024169749, var=0.03918077131686522, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_Sp-8R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 0.397687640356938"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 0.397687640356938""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 0.397687640356938 +""", +) + +entry( + index = 4180, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(5.61579e-06,'m^3/(mol*s)'), n=3.36737, w0=(301000,'J/mol'), E0=(56667.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.00030170551792771654, var=0.034290375355541275, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 0.37198809133308736"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 0.37198809133308736""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 0.37198809133308736 +""", +) + +entry( + index = 4181, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.000274134,'m^3/(mol*s)'), n=2.86128, w0=(301000,'J/mol'), E0=(68986.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0002498478747854558, var=0.027566174348465106, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_Sp-8R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 0.33347521202211544"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 0.33347521202211544""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 0.33347521202211544 +""", +) + +entry( + index = 4182, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.000593744,'m^3/(mol*s)'), n=2.74436, w0=(301000,'J/mol'), E0=(64948.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.00021892915782990036, var=0.02378439440166409, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 0.3097241256466195"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 0.3097241256466195""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 0.3097241256466195 +""", +) + +entry( + index = 4183, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00818,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(58436.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4184, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00756,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(59265.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4185, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00902,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(60728.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4186, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00834,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(61506,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4187, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=6R!H_Sp-7R!H-2R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0065,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(59431,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=6R!H_Sp-7R!H-2R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=6R!H_Sp-7R!H-2R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=6R!H_Sp-7R!H-2R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=6R!H_Sp-7R!H-2R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4188, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=6R!H_Sp-7R!H-2R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00601,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(60281,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=6R!H_Sp-7R!H-2R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=6R!H_Sp-7R!H-2R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=6R!H_Sp-7R!H-2R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=6R!H_Sp-7R!H-2R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4189, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=6R!H_N-Sp-7R!H-2R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00699,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(65008.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=6R!H_N-Sp-7R!H-2R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=6R!H_N-Sp-7R!H-2R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=6R!H_N-Sp-7R!H-2R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=6R!H_N-Sp-7R!H-2R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4190, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=6R!H_N-Sp-7R!H-2R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00646,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(65846,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=6R!H_N-Sp-7R!H-2R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=6R!H_N-Sp-7R!H-2R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=6R!H_N-Sp-7R!H-2R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=6R!H_N-Sp-7R!H-2R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4191, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_Sp-7R!H-2R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00717,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(61775.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_Sp-7R!H-2R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_Sp-7R!H-2R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_Sp-7R!H-2R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_Sp-7R!H-2R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4192, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_Sp-7R!H-2R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00663,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(62530.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_Sp-7R!H-2R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_Sp-7R!H-2R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_Sp-7R!H-2R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_Sp-7R!H-2R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4193, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_N-Sp-7R!H-2R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00771,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(75562.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_N-Sp-7R!H-2R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_N-Sp-7R!H-2R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_N-Sp-7R!H-2R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_N-Sp-7R!H-2R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4194, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_N-Sp-7R!H-2R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00712,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(76197.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_N-Sp-7R!H-2R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_N-Sp-7R!H-2R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_N-Sp-7R!H-2R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_N-Sp-7R!H-2R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4195, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.0033,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4196, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_Sp-13R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00156,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_Sp-13R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_Sp-13R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_Sp-13R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_Sp-13R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4197, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_N-Sp-13R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00165,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_N-Sp-13R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_N-Sp-13R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_N-Sp-13R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_N-Sp-13R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4198, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00108,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(36698.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R_Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4199, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00127,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(37538.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4200, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_Sp-12R!H=5R!H_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.000512,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(34038.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_Sp-12R!H=5R!H_Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_Sp-12R!H=5R!H_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_Sp-12R!H=5R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_Sp-12R!H=5R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4201, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_Sp-12R!H=5R!H_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.000599,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(33925,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_Sp-12R!H=5R!H_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_Sp-12R!H=5R!H_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_Sp-12R!H=5R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_Sp-12R!H=5R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4202, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_N-Sp-12R!H=5R!H_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.000541,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(31171.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_N-Sp-12R!H=5R!H_Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_N-Sp-12R!H=5R!H_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_N-Sp-12R!H=5R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_N-Sp-12R!H=5R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4203, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_N-Sp-12R!H=5R!H_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.000633,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(31304,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_N-Sp-12R!H=5R!H_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_N-Sp-12R!H=5R!H_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_N-Sp-12R!H=5R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_4R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3R-R_Ext-3R-R_Ext-5R!H-R_N-Sp-12R!H=5R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4204, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.0199,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4205, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-3R-R_Ext-5R!H-R_Sp-12R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00939,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-3R-R_Ext-5R!H-R_Sp-12R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-3R-R_Ext-5R!H-R_Sp-12R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-3R-R_Ext-5R!H-R_Sp-12R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-3R-R_Ext-5R!H-R_Sp-12R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4206, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-3R-R_Ext-5R!H-R_N-Sp-12R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00991,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-3R-R_Ext-5R!H-R_N-Sp-12R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-3R-R_Ext-5R!H-R_N-Sp-12R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-3R-R_Ext-5R!H-R_N-Sp-12R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-3R-R_Ext-5R!H-R_N-Sp-12R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4207, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00652,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R_Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4208, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00762,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4209, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00308,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H_Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4210, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.0036,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4211, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00325,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H_Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4212, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.0038,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->O_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4213, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.00105,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(65895.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4214, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_4R!H-inRing_Ext-8R!H-R_Sp-14R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000498,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(65493.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_4R!H-inRing_Ext-8R!H-R_Sp-14R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_4R!H-inRing_Ext-8R!H-R_Sp-14R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_4R!H-inRing_Ext-8R!H-R_Sp-14R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_4R!H-inRing_Ext-8R!H-R_Sp-14R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4215, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_4R!H-inRing_Ext-8R!H-R_N-Sp-14R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000526,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(62639.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_4R!H-inRing_Ext-8R!H-R_N-Sp-14R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_4R!H-inRing_Ext-8R!H-R_N-Sp-14R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_4R!H-inRing_Ext-8R!H-R_N-Sp-14R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_4R!H-inRing_Ext-8R!H-R_N-Sp-14R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4216, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.00142,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(57904.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4217, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_N-4R!H-inRing_Ext-8R!H-R_Sp-14R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000673,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(57456.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_N-4R!H-inRing_Ext-8R!H-R_Sp-14R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_N-4R!H-inRing_Ext-8R!H-R_Sp-14R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_N-4R!H-inRing_Ext-8R!H-R_Sp-14R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_N-4R!H-inRing_Ext-8R!H-R_Sp-14R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4218, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_N-4R!H-inRing_Ext-8R!H-R_N-Sp-14R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000711,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(54607.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_N-4R!H-inRing_Ext-8R!H-R_N-Sp-14R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_N-4R!H-inRing_Ext-8R!H-R_N-Sp-14R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_N-4R!H-inRing_Ext-8R!H-R_N-Sp-14R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_N-4R!H-inRing_Ext-8R!H-R_N-Sp-14R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4219, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R_Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.000346,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(54961.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R_Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R_Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4220, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R_N-Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.000405,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(54752.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R_N-Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R_N-Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4221, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H_Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.000164,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(51057.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H_Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H_Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4222, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H_N-Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.000191,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(51470.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H_N-Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H_N-Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4223, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H_Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.000173,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(48014.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H_Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H_Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4224, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H_N-Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.000202,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(48801,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H_N-Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H_N-Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4225, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R_Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.000467,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(46016.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R_Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R_Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4226, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R_N-Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.000547,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(45710.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R_N-Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R_N-Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4227, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H_Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.000221,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(41798.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H_Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H_Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4228, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H_N-Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.000258,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(42156.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H_N-Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H_N-Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4229, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H_Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.000233,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(38648.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H_Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H_Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4230, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H_N-Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.000273,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(39410.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H_N-Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H_N-Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4231, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000993,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(62989.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4232, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00134,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(55238.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4233, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0011,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4234, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00148,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(62626.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4235, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_4R!H-inRing_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.000326,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(51072.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_4R!H-inRing_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_4R!H-inRing_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4236, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_4R!H-inRing_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.000381,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(52116.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_4R!H-inRing_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_4R!H-inRing_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4237, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_N-4R!H-inRing_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.00044,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(42328.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_N-4R!H-inRing_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_N-4R!H-inRing_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_N-4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_N-4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4238, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_N-4R!H-inRing_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.000515,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(43359.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_N-4R!H-inRing_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_N-4R!H-inRing_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_N-4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_N-4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4239, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_4R!H-inRing_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.000359,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(59599.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_4R!H-inRing_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_4R!H-inRing_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4240, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_4R!H-inRing_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.00042,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(57480.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_4R!H-inRing_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_4R!H-inRing_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4241, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_N-4R!H-inRing_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.000486,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(51581.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_N-4R!H-inRing_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_N-4R!H-inRing_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_N-4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_N-4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4242, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_N-4R!H-inRing_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.000568,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(49288.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_N-4R!H-inRing_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_N-4R!H-inRing_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_N-4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_N-4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4243, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00659,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(70728,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4244, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00558,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(72250.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4245, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Sp-13R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00311,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(71458.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Sp-13R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Sp-13R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Sp-13R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Sp-13R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4246, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Sp-13R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00264,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(72921.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Sp-13R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Sp-13R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Sp-13R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Sp-13R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4247, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_N-Sp-13R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00329,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(68608.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_N-Sp-13R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_N-Sp-13R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_N-Sp-13R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_N-Sp-13R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4248, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_N-Sp-13R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00279,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(70127.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_N-Sp-13R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_N-Sp-13R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_N-Sp-13R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_N-Sp-13R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4249, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.00216,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(61112.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4250, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.00253,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(60928.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4251, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.00183,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(62801.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4252, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.00214,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(62634.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4253, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_4R!H-inRing_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.00102,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(57274.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_4R!H-inRing_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_4R!H-inRing_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4254, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_4R!H-inRing_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.00119,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(57703.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_4R!H-inRing_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_4R!H-inRing_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4255, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_N-4R!H-inRing_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.000866,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(58960.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_N-4R!H-inRing_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_N-4R!H-inRing_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_N-4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_N-4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4256, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_N-4R!H-inRing_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.00101,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(59399.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_N-4R!H-inRing_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_N-4R!H-inRing_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_N-4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_N-4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4257, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_4R!H-inRing_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.00108,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(54266.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_4R!H-inRing_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_4R!H-inRing_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4258, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_4R!H-inRing_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.00126,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(55060.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_4R!H-inRing_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_4R!H-inRing_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4259, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_N-4R!H-inRing_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.000915,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(56017.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_N-4R!H-inRing_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_N-4R!H-inRing_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_N-4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_N-4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4260, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_N-4R!H-inRing_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.00107,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(56817.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_N-4R!H-inRing_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_N-4R!H-inRing_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_N-4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_N-4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4261, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing_Ext-2C-R_Ext-7R!H-R_Sp-11R!H=7R!H", + kinetics = ArrheniusBM(A=(0.0019,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(74051.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing_Ext-2C-R_Ext-7R!H-R_Sp-11R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing_Ext-2C-R_Ext-7R!H-R_Sp-11R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing_Ext-2C-R_Ext-7R!H-R_Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing_Ext-2C-R_Ext-7R!H-R_Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4262, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing_Ext-2C-R_Ext-7R!H-R_N-Sp-11R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00209,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(76049,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing_Ext-2C-R_Ext-7R!H-R_N-Sp-11R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing_Ext-2C-R_Ext-7R!H-R_N-Sp-11R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing_Ext-2C-R_Ext-7R!H-R_N-Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing_Ext-2C-R_Ext-7R!H-R_N-Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4263, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-10R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(1.8903e-06,'m^3/(mol*s)'), n=3.52728, w0=(301000,'J/mol'), E0=(73275.6,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=2.499654438575396, var=6.364979588273734, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-10R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-10R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 11.338267109100803"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-10R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.338267109100803""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-10R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.338267109100803 +""", +) + +entry( + index = 4264, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-7R!H-R_Sp-11R!H=7R!H", + kinetics = ArrheniusBM(A=(1.41327e-05,'m^3/(mol*s)'), n=3.14736, w0=(301000,'J/mol'), E0=(62285.4,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-6.834318518532108e-05, var=0.06910950011496685, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-7R!H-R_Sp-11R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-7R!H-R_Sp-11R!H=7R!H + Total Standard Deviation in ln(k): 0.5271902221865459"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-7R!H-R_Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 0.5271902221865459""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-7R!H-R_Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 0.5271902221865459 +""", +) + +entry( + index = 4265, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-7R!H-R_N-Sp-11R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00157098,'m^3/(mol*s)'), n=2.54174, w0=(301000,'J/mol'), E0=(72033.8,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.002551695521467087, var=0.36159776302552554, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-7R!H-R_N-Sp-11R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-7R!H-R_N-Sp-11R!H=7R!H + Total Standard Deviation in ln(k): 1.211918629577218"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-7R!H-R_N-Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 1.211918629577218""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-7R!H-R_N-Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 1.211918629577218 +""", +) + +entry( + index = 4266, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00274,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(64340,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4267, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00355,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(65913.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4268, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00302,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(74098.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4269, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00392,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(72942.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4270, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00621,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(67840.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4271, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00526,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(69247.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4272, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00685,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4273, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0058,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4274, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_4R!H-inRing_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00204,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(58337.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_4R!H-inRing_Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_4R!H-inRing_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_4R!H-inRing_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_4R!H-inRing_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4275, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_4R!H-inRing_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00238,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(58209.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_4R!H-inRing_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_4R!H-inRing_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_4R!H-inRing_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_4R!H-inRing_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4276, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_N-4R!H-inRing_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00173,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(59914.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_N-4R!H-inRing_Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_N-4R!H-inRing_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_N-4R!H-inRing_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_N-4R!H-inRing_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4277, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_N-4R!H-inRing_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00202,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(59804.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_N-4R!H-inRing_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_N-4R!H-inRing_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_N-4R!H-inRing_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_N-4R!H-inRing_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4278, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_4R!H-inRing_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00225,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(64434.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_4R!H-inRing_Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_4R!H-inRing_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_4R!H-inRing_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_4R!H-inRing_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4279, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_4R!H-inRing_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00263,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(62314.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_4R!H-inRing_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_4R!H-inRing_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_4R!H-inRing_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_4R!H-inRing_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4280, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-4R!H-inRing_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.0019,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(65899.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-4R!H-inRing_Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-4R!H-inRing_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-4R!H-inRing_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-4R!H-inRing_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4281, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-4R!H-inRing_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00223,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(63814.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-4R!H-inRing_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-4R!H-inRing_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-4R!H-inRing_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-4R!H-inRing_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4282, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00536,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(74618.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4283, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00496,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(75274.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4284, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00253,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(72644.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4285, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00234,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(73278,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4286, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00268,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(69988.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4287, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00247,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(70638.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4288, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.0578,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(82172.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4289, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-12R!H=6R!H", + kinetics = ArrheniusBM(A=(0.0273,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(82988.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-12R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-12R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-12R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-12R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4290, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-12R!H=6R!H", + kinetics = ArrheniusBM(A=(0.0288,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(80063.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-12R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-12R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-12R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-12R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4291, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(3.24327e-15,'m^3/(mol*s)'), n=6.10612, w0=(301000,'J/mol'), E0=(19684,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.00019609873636128048, var=0.023756460159137245, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 0.30948515041203606"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.30948515041203606""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.30948515041203606 +""", +) + +entry( + index = 4292, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-12R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00124535,'m^3/(mol*s)'), n=2.75078, w0=(301000,'J/mol'), E0=(77388.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0002188653818275945, var=0.027258106173725073, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-12R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-12R!H=6R!H + Total Standard Deviation in ln(k): 0.3315322581940776"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-12R!H=6R!H +Total Standard Deviation in ln(k): 0.3315322581940776""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-12R!H=6R!H +Total Standard Deviation in ln(k): 0.3315322581940776 +""", +) + +entry( + index = 4293, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-12R!H=6R!H", + kinetics = ArrheniusBM(A=(4.66191e-15,'m^3/(mol*s)'), n=5.97472, w0=(301000,'J/mol'), E0=(14822.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.00019881109350577066, var=0.02351623461886732, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-12R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-12R!H=6R!H + Total Standard Deviation in ln(k): 0.30792572869354945"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-12R!H=6R!H +Total Standard Deviation in ln(k): 0.30792572869354945""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-12R!H=6R!H +Total Standard Deviation in ln(k): 0.30792572869354945 +""", +) + +entry( + index = 4294, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.019,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(71401.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4295, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.0222,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(71125.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4296, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00896,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(69373.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4297, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.0105,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(69082.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4298, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00946,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(66674.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4299, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.0111,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(66369.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4300, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000195404,'m^3/(mol*s)'), n=2.91351, w0=(301000,'J/mol'), E0=(63786.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0003027804102439647, var=0.03762522976406329, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_Sp-9R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 0.3896237077143416"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 0.3896237077143416""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 0.3896237077143416 +""", +) + +entry( + index = 4301, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000623047,'m^3/(mol*s)'), n=2.82196, w0=(301000,'J/mol'), E0=(66939.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0003063376450077261, var=0.04072869375022943, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 0.40535231979204295"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 0.40535231979204295""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 0.40535231979204295 +""", +) + +entry( + index = 4302, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(4.28808e-06,'m^3/(mol*s)'), n=3.30557, w0=(301000,'J/mol'), E0=(58626.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.00031437742041856413, var=0.04035710066235516, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_Sp-9R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 0.40352266232405554"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 0.40352266232405554""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 0.40352266232405554 +""", +) + +entry( + index = 4303, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(1.20832e-05,'m^3/(mol*s)'), n=3.23001, w0=(301000,'J/mol'), E0=(61660.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0003419087750267876, var=0.04441582523059972, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 0.4233582344301721"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 0.4233582344301721""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 0.4233582344301721 +""", +) + +entry( + index = 4304, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(2.72731e-05,'m^3/(mol*s)'), n=3.11476, w0=(301000,'J/mol'), E0=(60361.5,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.00032880294110823366, var=0.04043751078481361, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_Sp-9R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 0.40395992323067154"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 0.40395992323067154""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 0.40395992323067154 +""", +) + +entry( + index = 4305, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(9.49122e-05,'m^3/(mol*s)'), n=3.01335, w0=(301000,'J/mol'), E0=(63625.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.00033114066022402937, var=0.042664562078021814, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 0.4149180956411108"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 0.4149180956411108""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 0.4149180956411108 +""", +) + +entry( + index = 4306, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00775,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(65568.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4307, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00716,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(66153.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4308, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00366,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(65098.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4309, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00338,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(65729,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4310, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00387,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(62138.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4311, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00357,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(62747.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4312, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.01,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(66339.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4313, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00928,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(66941.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4314, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00475,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(65678.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4315, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00439,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(66239.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4316, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00501,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(63057.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4317, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00463,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(63680.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4318, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00505,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(72043,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4319, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00467,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(72585.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4320, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00557,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(73640.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4321, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00515,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(74104.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4322, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-11R!H=6R!H", + kinetics = ArrheniusBM(A=(0.0544,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(79823.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-11R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-11R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-11R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-11R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4323, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-11R!H=6R!H", + kinetics = ArrheniusBM(A=(0.06,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-11R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-11R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-11R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-11R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4324, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-11R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00136808,'m^3/(mol*s)'), n=2.8107, w0=(301000,'J/mol'), E0=(71961.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.653527486473932, var=4.806075604883789, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-11R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-11R!H=6R!H + Total Standard Deviation in ln(k): 8.549524977368803"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-11R!H=6R!H +Total Standard Deviation in ln(k): 8.549524977368803""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-11R!H=6R!H +Total Standard Deviation in ln(k): 8.549524977368803 +""", +) + +entry( + index = 4325, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-11R!H=6R!H", + kinetics = ArrheniusBM(A=(2.44737e-12,'m^3/(mol*s)'), n=5.28611, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=2.974025289880103, var=0.0006597427200455493, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-11R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-11R!H=6R!H + Total Standard Deviation in ln(k): 7.523917888815929"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-11R!H=6R!H +Total Standard Deviation in ln(k): 7.523917888815929""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-11R!H=6R!H +Total Standard Deviation in ln(k): 7.523917888815929 +""", +) + +entry( + index = 4326, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-10R!H=6R!H_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.0179,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(68981.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-10R!H=6R!H_Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-10R!H=6R!H_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-10R!H=6R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-10R!H=6R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4327, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-10R!H=6R!H_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.0209,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(68747.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-10R!H=6R!H_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-10R!H=6R!H_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-10R!H=6R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-10R!H=6R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4328, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.0197,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(75899.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4329, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.023,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(73493.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4330, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(4.20366e-06,'m^3/(mol*s)'), n=3.37809, w0=(301000,'J/mol'), E0=(55500.3,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.00032659018529628204, var=0.03456609497713597, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_Sp-8R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 0.37354010756327183"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 0.37354010756327183""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 0.37354010756327183 +""", +) + +entry( + index = 4331, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(1.12193e-05,'m^3/(mol*s)'), n=3.30551, w0=(301000,'J/mol'), E0=(58468.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.00033300722324705996, var=0.03640098692000333, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 0.38332096240051544"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 0.38332096240051544""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 0.38332096240051544 +""", +) + +entry( + index = 4332, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.000329152,'m^3/(mol*s)'), n=2.85352, w0=(301000,'J/mol'), E0=(67445.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.00024043491298099724, var=0.02631178921684578, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_Sp-8R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 0.32579036250675114"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 0.32579036250675114""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 0.32579036250675114 +""", +) + +entry( + index = 4333, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00198182,'m^3/(mol*s)'), n=2.61583, w0=(301000,'J/mol'), E0=(65334.1,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0002720829442282326, var=0.029662160117522818, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 0.34595325348831707"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 0.34595325348831707""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 0.34595325348831707 +""", +) + +entry( + index = 4334, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_Sp-8R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0073,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(62218.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_Sp-8R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_Sp-8R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_Sp-8R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_Sp-8R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4335, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_Sp-8R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00675,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(62777.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_Sp-8R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_Sp-8R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_Sp-8R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_Sp-8R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4336, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_N-Sp-8R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00946,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(63632.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_N-Sp-8R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_N-Sp-8R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_N-Sp-8R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_N-Sp-8R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4337, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00874,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(64107.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4338, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_Sp-8R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00805,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(70939.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_Sp-8R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_Sp-8R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_Sp-8R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_Sp-8R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4339, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_Sp-8R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00744,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(71310.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_Sp-8R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_Sp-8R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_Sp-8R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_Sp-8R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4340, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_N-Sp-8R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0104,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(69821,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_N-Sp-8R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_N-Sp-8R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_N-Sp-8R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_N-Sp-8R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4341, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00964,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(70140.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4342, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-10R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00948,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(76683.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-10R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-10R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-10R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-10R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4343, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-10R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H", + kinetics = ArrheniusBM(A=(0.0105,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-10R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-10R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-10R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-10R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4344, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-7R!H-R_Sp-11R!H=7R!H_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00311,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(65702.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-7R!H-R_Sp-11R!H=7R!H_Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-7R!H-R_Sp-11R!H=7R!H_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-7R!H-R_Sp-11R!H=7R!H_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-7R!H-R_Sp-11R!H=7R!H_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4345, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-7R!H-R_Sp-11R!H=7R!H_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00364,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(65452.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-7R!H-R_Sp-11R!H=7R!H_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-7R!H-R_Sp-11R!H=7R!H_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-7R!H-R_Sp-11R!H=7R!H_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-7R!H-R_Sp-11R!H=7R!H_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4346, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00343,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(72719,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4347, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00401,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(70283.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4348, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0268,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(75745.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4349, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0248,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(76049.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4350, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-12R!H=6R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0127,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(76435.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-12R!H=6R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-12R!H=6R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-12R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-12R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4351, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-12R!H=6R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0117,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(76774,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-12R!H=6R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-12R!H=6R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-12R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-12R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4352, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-12R!H=6R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0134,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(73627.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-12R!H=6R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-12R!H=6R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-12R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-12R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4353, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-12R!H=6R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0124,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(73927.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-12R!H=6R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-12R!H=6R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-12R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-12R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4354, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_Sp-9R!H=8R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00879,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(66059.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_Sp-9R!H=8R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_Sp-9R!H=8R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_Sp-9R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_Sp-9R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4355, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_Sp-9R!H=8R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00813,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(66593.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_Sp-9R!H=8R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_Sp-9R!H=8R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_Sp-9R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_Sp-9R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4356, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-Sp-9R!H=8R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0103,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(65875.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-Sp-9R!H=8R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-Sp-9R!H=8R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-Sp-9R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-Sp-9R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4357, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-Sp-9R!H=8R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0095,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(66430.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-Sp-9R!H=8R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-Sp-9R!H=8R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-Sp-9R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-Sp-9R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4358, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_Sp-9R!H=8R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00416,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(64138.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_Sp-9R!H=8R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_Sp-9R!H=8R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_Sp-9R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_Sp-9R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4359, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_Sp-9R!H=8R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00384,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(64695,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_Sp-9R!H=8R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_Sp-9R!H=8R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_Sp-9R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_Sp-9R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4360, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_N-Sp-9R!H=8R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00486,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(63894.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_N-Sp-9R!H=8R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_N-Sp-9R!H=8R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_N-Sp-9R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_N-Sp-9R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4361, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_N-Sp-9R!H=8R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00449,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(64517.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_N-Sp-9R!H=8R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_N-Sp-9R!H=8R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_N-Sp-9R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_N-Sp-9R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4362, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_Sp-9R!H=8R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00439,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(61519.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_Sp-9R!H=8R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_Sp-9R!H=8R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_Sp-9R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_Sp-9R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4363, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_Sp-9R!H=8R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00406,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(62092.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_Sp-9R!H=8R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_Sp-9R!H=8R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_Sp-9R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_Sp-9R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4364, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_N-Sp-9R!H=8R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00513,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(61309.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_N-Sp-9R!H=8R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_N-Sp-9R!H=8R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_N-Sp-9R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_N-Sp-9R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4365, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_N-Sp-9R!H=8R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00474,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(61905.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_N-Sp-9R!H=8R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_N-Sp-9R!H=8R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_N-Sp-9R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_N-Sp-9R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4366, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-11R!H=6R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0252,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(72873.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-11R!H=6R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-11R!H=6R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-11R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-11R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4367, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-11R!H=6R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0233,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-11R!H=6R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-11R!H=6R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-11R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-11R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4368, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-11R!H=6R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0278,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-11R!H=6R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-11R!H=6R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-11R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-11R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4369, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-11R!H=6R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0257,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(30100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-11R!H=6R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-11R!H=6R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-11R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-11R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4370, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_Sp-8R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00828,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(63250.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_Sp-8R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_Sp-8R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_Sp-8R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_Sp-8R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4371, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_Sp-8R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00766,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(63746.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_Sp-8R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_Sp-8R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_Sp-8R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_Sp-8R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4372, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_N-Sp-8R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00968,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(63118.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_N-Sp-8R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_N-Sp-8R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_N-Sp-8R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_N-Sp-8R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4373, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00895,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(63637,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4374, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_Sp-8R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00914,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(69408.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_Sp-8R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_Sp-8R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_Sp-8R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_Sp-8R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4375, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_Sp-8R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00844,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(69749.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_Sp-8R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_Sp-8R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_Sp-8R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_Sp-8R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4376, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_N-Sp-8R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0107,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(67262.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_N-Sp-8R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_N-Sp-8R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_N-Sp-8R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_N-Sp-8R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4377, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00987,'m^3/(mol*s)'), n=2.41, w0=(301000,'J/mol'), E0=(67654.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", ) diff --git a/input/kinetics/families/R_Addition_MultipleBond/training/dictionary.txt b/input/kinetics/families/R_Addition_MultipleBond/training/dictionary.txt index 32129370e3..cab43cf909 100644 --- a/input/kinetics/families/R_Addition_MultipleBond/training/dictionary.txt +++ b/input/kinetics/families/R_Addition_MultipleBond/training/dictionary.txt @@ -1,69 +1,37 @@ -C2H2O-2 -1 O u0 p2 c0 {3,D} -2 *1 C u0 p0 c0 {3,D} {4,S} {5,S} -3 *2 C u0 p0 c0 {1,D} {2,D} -4 H u0 p0 c0 {2,S} -5 H u0 p0 c0 {2,S} - -C2H2O-3 -1 *2 O u0 p2 c0 {3,D} -2 C u0 p0 c0 {3,D} {4,S} {5,S} -3 *1 C u0 p0 c0 {1,D} {2,D} +C2H2 +1 *1 C u0 p0 c0 {2,T} {3,S} +2 *2 C u0 p0 c0 {1,T} {4,S} +3 H u0 p0 c0 {1,S} 4 H u0 p0 c0 {2,S} -5 H u0 p0 c0 {2,S} -C7H10 -1 C u0 p0 c0 {2,S} {4,S} {10,S} {11,S} -2 C u0 p0 c0 {1,S} {5,S} {8,S} {9,S} -3 C u0 p0 c0 {4,S} {12,S} {13,S} {14,S} -4 *2 C u0 p0 c0 {1,S} {3,S} {6,D} -5 C u0 p0 c0 {2,S} {6,S} {7,D} -6 *1 C u0 p0 c0 {4,D} {5,S} {15,S} -7 C u0 p0 c0 {5,D} {16,S} {17,S} +C4H9 +multiplicity 2 +1 C u0 p0 c0 {4,S} {5,S} {6,S} {7,S} +2 C u0 p0 c0 {4,S} {8,S} {9,S} {10,S} +3 C u0 p0 c0 {4,S} {11,S} {12,S} {13,S} +4 *3 C u1 p0 c0 {1,S} {2,S} {3,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} 8 H u0 p0 c0 {2,S} 9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {3,S} 12 H u0 p0 c0 {3,S} 13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {6,S} -16 H u0 p0 c0 {7,S} -17 H u0 p0 c0 {7,S} - -C7H11 -multiplicity 2 -1 *3 C u0 p0 c0 {3,S} {4,S} {8,S} {9,S} -2 C u0 p0 c0 {3,S} {10,S} {11,S} {12,S} -3 C u0 p0 c0 {1,S} {2,S} {5,D} -4 *1 C u0 p0 c0 {1,S} {6,S} {7,D} -5 C u0 p0 c0 {3,D} {17,S} {18,S} -6 *2 C u1 p0 c0 {4,S} {13,S} {14,S} -7 C u0 p0 c0 {4,D} {15,S} {16,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {6,S} -14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {7,S} -17 H u0 p0 c0 {5,S} -18 H u0 p0 c0 {5,S} -C7H13 +C6H11 multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {3,S} {6,S} {8,S} -2 C u0 p0 c0 {1,S} {4,S} {9,S} {10,S} -3 *3 C u0 p0 c0 {1,S} {5,S} {11,S} {12,S} -4 C u0 p0 c0 {2,S} {13,S} {14,S} {15,S} -5 C u0 p0 c0 {3,S} {7,D} {16,S} -6 *2 C u1 p0 c0 {1,S} {17,S} {18,S} -7 C u0 p0 c0 {5,D} {19,S} {20,S} -8 H u0 p0 c0 {1,S} +1 *3 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 C u0 p0 c0 {1,S} {7,S} {8,S} {9,S} +3 C u0 p0 c0 {1,S} {10,S} {11,S} {12,S} +4 C u0 p0 c0 {1,S} {13,S} {14,S} {15,S} +5 *1 C u0 p0 c0 {1,S} {6,D} {16,S} +6 *2 C u1 p0 c0 {5,D} {17,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} 9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {3,S} 11 H u0 p0 c0 {3,S} 12 H u0 p0 c0 {3,S} 13 H u0 p0 c0 {4,S} @@ -71,109 +39,111 @@ multiplicity 2 15 H u0 p0 c0 {4,S} 16 H u0 p0 c0 {5,S} 17 H u0 p0 c0 {6,S} -18 H u0 p0 c0 {6,S} -19 H u0 p0 c0 {7,S} -20 H u0 p0 c0 {7,S} -C10H9-33 +C2H3O3 multiplicity 2 -1 C u0 p0 c0 {2,B} {3,B} {4,S} -2 C u0 p0 c0 {1,B} {7,B} {13,S} -3 C u0 p0 c0 {1,B} {5,B} {14,S} -4 C u0 p0 c0 {1,S} {8,D} {16,S} -5 C u0 p0 c0 {3,B} {6,B} {15,S} -6 C u0 p0 c0 {5,B} {7,B} {12,S} -7 C u0 p0 c0 {2,B} {6,B} {11,S} -8 *3 C u0 p0 c0 {4,D} {9,S} {17,S} -9 *1 C u0 p0 c0 {8,S} {10,D} {18,S} -10 *2 C u1 p0 c0 {9,D} {19,S} -11 H u0 p0 c0 {7,S} -12 H u0 p0 c0 {6,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {8,S} -18 H u0 p0 c0 {9,S} -19 H u0 p0 c0 {10,S} +1 *3 O u0 p2 c0 {2,S} {4,S} +2 O u0 p2 c0 {1,S} {8,S} +3 O u0 p2 c0 {4,D} +4 *1 C u0 p0 c0 {1,S} {3,D} {5,S} +5 *2 C u1 p0 c0 {4,S} {6,S} {7,S} +6 H u0 p0 c0 {5,S} +7 H u0 p0 c0 {5,S} +8 H u0 p0 c0 {2,S} -C10H9-32 +C2H2O +1 O u0 p2 c0 {3,D} +2 *2 C u0 p0 c0 {3,D} {4,S} {5,S} +3 *1 C u0 p0 c0 {1,D} {2,D} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {2,S} + +HO2 multiplicity 2 -1 C u0 p0 c0 {2,S} {5,S} {11,S} {12,S} -2 *2 C u0 p0 c0 {1,S} {3,B} {6,B} -3 *1 C u0 p0 c0 {2,B} {4,S} {7,B} -4 C u0 p0 c0 {3,S} {5,S} {10,D} -5 C u1 p0 c0 {1,S} {4,S} {13,S} -6 C u0 p0 c0 {2,B} {9,B} {16,S} -7 C u0 p0 c0 {3,B} {8,B} {14,S} -8 C u0 p0 c0 {7,B} {9,B} {15,S} -9 C u0 p0 c0 {6,B} {8,B} {17,S} -10 C u0 p0 c0 {4,D} {18,S} {19,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {7,S} -15 H u0 p0 c0 {8,S} -16 H u0 p0 c0 {6,S} -17 H u0 p0 c0 {9,S} -18 H u0 p0 c0 {10,S} -19 H u0 p0 c0 {10,S} +1 O u0 p2 c0 {2,S} {3,S} +2 *3 O u1 p2 c0 {1,S} +3 H u0 p0 c0 {1,S} -C10H9-31 +CH2O +1 *2 O u0 p2 c0 {2,D} +2 *1 C u0 p0 c0 {1,D} {3,S} {4,S} +3 H u0 p0 c0 {2,S} +4 H u0 p0 c0 {2,S} + +C3H5O multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {5,S} {11,S} {12,S} -2 C u0 p0 c0 {1,S} {3,B} {6,B} -3 C u0 p0 c0 {2,B} {4,S} {7,B} -4 C u0 p0 c0 {3,S} {5,S} {10,D} -5 *2 C u1 p0 c0 {1,S} {4,S} {13,S} -6 C u0 p0 c0 {2,B} {9,B} {16,S} -7 C u0 p0 c0 {3,B} {8,B} {14,S} -8 C u0 p0 c0 {7,B} {9,B} {15,S} -9 C u0 p0 c0 {6,B} {8,B} {17,S} -10 C u0 p0 c0 {4,D} {18,S} {19,S} -11 H u0 p0 c0 {1,S} -12 *3 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {7,S} -15 H u0 p0 c0 {8,S} -16 H u0 p0 c0 {6,S} -17 H u0 p0 c0 {9,S} -18 H u0 p0 c0 {10,S} -19 H u0 p0 c0 {10,S} +1 O u0 p2 c0 {3,D} +2 C u0 p0 c0 {3,S} {5,S} {6,S} {7,S} +3 C u0 p0 c0 {1,D} {2,S} {4,S} +4 *3 C u1 p0 c0 {3,S} {8,S} {9,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {4,S} +9 H u0 p0 c0 {4,S} -C10H9-30 +C4H7O2 multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {3,S} {11,S} {12,S} -2 *2 C u0 p0 c0 {1,S} {4,B} {6,B} -3 C u0 p0 c0 {1,S} {5,S} {10,D} -4 C u0 p0 c0 {2,B} {5,S} {7,B} -5 C u1 p0 c0 {3,S} {4,S} {13,S} -6 C u0 p0 c0 {2,B} {8,B} {14,S} -7 C u0 p0 c0 {4,B} {9,B} {15,S} -8 C u0 p0 c0 {6,B} {9,B} {16,S} -9 C u0 p0 c0 {7,B} {8,B} {17,S} -10 C u0 p0 c0 {3,D} {18,S} {19,S} -11 H u0 p0 c0 {1,S} -12 *3 H u0 p0 c0 {1,S} +1 *2 O u1 p2 c0 {4,S} +2 O u0 p2 c0 {6,D} +3 *3 C u0 p0 c0 {4,S} {6,S} {7,S} {8,S} +4 *1 C u0 p0 c0 {1,S} {3,S} {9,S} {10,S} +5 C u0 p0 c0 {6,S} {11,S} {12,S} {13,S} +6 C u0 p0 c0 {2,D} {3,S} {5,S} +7 H u0 p0 c0 {3,S} +8 H u0 p0 c0 {3,S} +9 H u0 p0 c0 {4,S} +10 H u0 p0 c0 {4,S} +11 H u0 p0 c0 {5,S} +12 H u0 p0 c0 {5,S} 13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {8,S} -17 H u0 p0 c0 {9,S} -18 H u0 p0 c0 {10,S} -19 H u0 p0 c0 {10,S} -C4H5-10 +allyl multiplicity 2 -1 *1 C u0 p0 c0 {3,S} {5,S} {6,S} {7,S} -2 C u0 p0 c0 {4,D} {8,S} {9,S} -3 *2 C u1 p0 c0 {1,S} {4,D} -4 C u0 p0 c0 {2,D} {3,D} +1 C u0 p0 c0 {2,S} {3,D} {4,S} +2 *3 C u1 p0 c0 {1,S} {5,S} {6,S} +3 C u0 p0 c0 {1,D} {7,S} {8,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {3,S} +8 H u0 p0 c0 {3,S} + +C2H4 +1 *1 C u0 p0 c0 {2,D} {3,S} {4,S} +2 *2 C u0 p0 c0 {1,D} {5,S} {6,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {2,S} + +pent1en5yl +multiplicity 2 +1 *3 C u0 p0 c0 {2,S} {3,S} {6,S} {7,S} +2 *1 C u0 p0 c0 {1,S} {4,S} {8,S} {9,S} +3 C u0 p0 c0 {1,S} {5,D} {10,S} +4 *2 C u1 p0 c0 {2,S} {11,S} {12,S} +5 C u0 p0 c0 {3,D} {13,S} {14,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {5,S} + +propene_1 +1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} +2 *2 C u0 p0 c0 {1,S} {3,D} {7,S} +3 *1 C u0 p0 c0 {2,D} {8,S} {9,S} +4 H u0 p0 c0 {1,S} 5 H u0 p0 c0 {1,S} 6 H u0 p0 c0 {1,S} -7 *3 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {3,S} +9 H u0 p0 c0 {3,S} hex1en5yl multiplicity 2 @@ -195,30 +165,6 @@ multiplicity 2 16 H u0 p0 c0 {6,S} 17 H u0 p0 c0 {6,S} -C10H11-18 -multiplicity 2 -1 C u0 p0 c0 {3,S} {4,S} {6,S} {11,S} -2 *1 C u0 p0 c0 {5,S} {6,S} {12,S} {13,S} -3 C u0 p0 c0 {1,S} {14,S} {15,S} {16,S} -4 C u0 p0 c0 {1,S} {5,B} {7,B} -5 C u0 p0 c0 {2,S} {4,B} {8,B} -6 *2 C u1 p0 c0 {1,S} {2,S} {17,S} -7 C u0 p0 c0 {4,B} {10,B} {19,S} -8 C u0 p0 c0 {5,B} {9,B} {18,S} -9 C u0 p0 c0 {8,B} {10,B} {20,S} -10 C u0 p0 c0 {7,B} {9,B} {21,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {2,S} -13 *3 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {6,S} -18 H u0 p0 c0 {8,S} -19 H u0 p0 c0 {7,S} -20 H u0 p0 c0 {9,S} -21 H u0 p0 c0 {10,S} - propene_2 1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} 2 *1 C u0 p0 c0 {1,S} {3,D} {7,S} @@ -230,130 +176,145 @@ propene_2 8 H u0 p0 c0 {3,S} 9 H u0 p0 c0 {3,S} -propene_1 -1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} -2 *2 C u0 p0 c0 {1,S} {3,D} {7,S} -3 *1 C u0 p0 c0 {2,D} {8,S} {9,S} -4 H u0 p0 c0 {1,S} -5 H u0 p0 c0 {1,S} -6 H u0 p0 c0 {1,S} -7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {3,S} - -C2H3O-3 +methylpentenyl multiplicity 2 -1 *2 O u1 p2 c0 {3,S} -2 C u0 p0 c0 {3,D} {4,S} {5,S} -3 *1 C u0 p0 c0 {1,S} {2,D} {6,S} -4 H u0 p0 c0 {2,S} -5 H u0 p0 c0 {2,S} -6 *3 H u0 p0 c0 {3,S} +1 *1 C u0 p0 c0 {2,S} {3,S} {5,S} {7,S} +2 *3 C u0 p0 c0 {1,S} {4,S} {8,S} {9,S} +3 C u0 p0 c0 {1,S} {10,S} {11,S} {12,S} +4 C u0 p0 c0 {2,S} {6,D} {13,S} +5 *2 C u1 p0 c0 {1,S} {14,S} {15,S} +6 C u0 p0 c0 {4,D} {16,S} {17,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {6,S} +17 H u0 p0 c0 {6,S} -C2H3O-2 -multiplicity 2 -1 O u0 p2 c0 {3,D} -2 *2 C u1 p0 c0 {3,S} {5,S} {6,S} -3 *1 C u0 p0 c0 {1,D} {2,S} {4,S} -4 *3 H u0 p0 c0 {3,S} -5 H u0 p0 c0 {2,S} -6 H u0 p0 c0 {2,S} +butene1_1 +1 C u0 p0 c0 {2,S} {3,S} {5,S} {6,S} +2 C u0 p0 c0 {1,S} {7,S} {8,S} {9,S} +3 *2 C u0 p0 c0 {1,S} {4,D} {10,S} +4 *1 C u0 p0 c0 {3,D} {11,S} {12,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {4,S} -C10H8-15 -1 C u0 p0 c0 {2,S} {3,B} {4,B} -2 *1 C u0 p0 c0 {1,S} {8,D} {9,S} -3 C u0 p0 c0 {1,B} {5,B} {11,S} -4 C u0 p0 c0 {1,B} {7,B} {15,S} -5 C u0 p0 c0 {3,B} {6,B} {12,S} -6 C u0 p0 c0 {5,B} {7,B} {13,S} -7 C u0 p0 c0 {4,B} {6,B} {14,S} -8 *2 C u0 p0 c0 {2,D} {16,S} {17,S} -9 C u0 p0 c0 {2,S} {10,T} -10 C u0 p0 c0 {9,T} {18,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {5,S} -13 H u0 p0 c0 {6,S} -14 H u0 p0 c0 {7,S} +hept1en5yl +multiplicity 2 +1 *1 C u0 p0 c0 {2,S} {5,S} {12,S} {13,S} +2 *3 C u0 p0 c0 {1,S} {6,S} {10,S} {11,S} +3 C u0 p0 c0 {4,S} {5,S} {8,S} {9,S} +4 C u0 p0 c0 {3,S} {14,S} {15,S} {16,S} +5 *2 C u1 p0 c0 {1,S} {3,S} {17,S} +6 C u0 p0 c0 {2,S} {7,D} {18,S} +7 C u0 p0 c0 {6,D} {19,S} {20,S} +8 H u0 p0 c0 {3,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {4,S} 15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {8,S} -17 H u0 p0 c0 {8,S} -18 H u0 p0 c0 {10,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {6,S} +19 H u0 p0 c0 {7,S} +20 H u0 p0 c0 {7,S} -C5H6-2 -1 C u0 p0 c0 {2,S} {3,S} {6,S} {7,S} -2 *1 C u0 p0 c0 {1,S} {4,D} {8,S} -3 C u0 p0 c0 {1,S} {5,D} {9,S} -4 *2 C u0 p0 c0 {2,D} {5,S} {10,S} -5 C u0 p0 c0 {3,D} {4,S} {11,S} +butene1_2 +1 C u0 p0 c0 {2,S} {3,S} {5,S} {6,S} +2 C u0 p0 c0 {1,S} {7,S} {8,S} {9,S} +3 *1 C u0 p0 c0 {1,S} {4,D} {10,S} +4 *2 C u0 p0 c0 {3,D} {11,S} {12,S} +5 H u0 p0 c0 {1,S} 6 H u0 p0 c0 {1,S} -7 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} 8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {3,S} -10 H u0 p0 c0 {4,S} -11 H u0 p0 c0 {5,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {4,S} -C10H11-13 +C7H13 multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {11,S} -2 C u0 p0 c0 {1,S} {5,S} {12,S} {13,S} -3 C u0 p0 c0 {1,S} {6,S} {14,S} {15,S} -4 *2 C u1 p0 c0 {1,S} {7,S} {8,S} -5 C u0 p0 c0 {2,S} {7,D} {16,S} -6 C u0 p0 c0 {3,S} {9,D} {17,S} -7 C u0 p0 c0 {4,S} {5,D} {18,S} -8 C u0 p0 c0 {4,S} {10,D} {19,S} -9 C u0 p0 c0 {6,D} {10,S} {20,S} -10 C u0 p0 c0 {8,D} {9,S} {21,S} -11 *3 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {3,S} +1 *1 C u0 p0 c0 {2,S} {3,S} {6,S} {8,S} +2 C u0 p0 c0 {1,S} {4,S} {9,S} {10,S} +3 *3 C u0 p0 c0 {1,S} {5,S} {11,S} {12,S} +4 C u0 p0 c0 {2,S} {13,S} {14,S} {15,S} +5 C u0 p0 c0 {3,S} {7,D} {16,S} +6 *2 C u1 p0 c0 {1,S} {17,S} {18,S} +7 C u0 p0 c0 {5,D} {19,S} {20,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {4,S} 16 H u0 p0 c0 {5,S} 17 H u0 p0 c0 {6,S} -18 H u0 p0 c0 {7,S} -19 H u0 p0 c0 {8,S} -20 H u0 p0 c0 {9,S} -21 H u0 p0 c0 {10,S} +18 H u0 p0 c0 {6,S} +19 H u0 p0 c0 {7,S} +20 H u0 p0 c0 {7,S} -C5H5-2 -multiplicity 2 -1 *3 C u0 p0 c0 {2,S} {3,S} {6,S} {7,S} -2 *1 C u0 p0 c0 {1,S} {4,D} {8,S} -3 C u0 p0 c0 {1,S} {5,T} -4 *2 C u1 p0 c0 {2,D} {9,S} -5 C u0 p0 c0 {3,T} {10,S} +butene2 +1 C u0 p0 c0 {3,S} {5,S} {6,S} {7,S} +2 C u0 p0 c0 {4,S} {8,S} {9,S} {10,S} +3 *1 C u0 p0 c0 {1,S} {4,D} {11,S} +4 *2 C u0 p0 c0 {2,S} {3,D} {12,S} +5 H u0 p0 c0 {1,S} 6 H u0 p0 c0 {1,S} 7 H u0 p0 c0 {1,S} 8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {4,S} -10 H u0 p0 c0 {5,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {4,S} -C7H8-3 -1 C u0 p0 c0 {2,S} {3,S} {4,S} {8,S} -2 *1 C u0 p0 c0 {1,S} {5,D} {9,S} -3 C u0 p0 c0 {1,S} {6,D} {10,S} -4 C u0 p0 c0 {1,S} {7,D} {11,S} -5 *2 C u0 p0 c0 {2,D} {6,S} {12,S} -6 C u0 p0 c0 {3,D} {5,S} {13,S} -7 C u0 p0 c0 {4,D} {14,S} {15,S} +C7H13_2 +multiplicity 2 +1 *1 C u0 p0 c0 {2,S} {3,S} {5,S} {8,S} +2 *3 C u0 p0 c0 {1,S} {6,S} {9,S} {10,S} +3 C u0 p0 c0 {1,S} {11,S} {12,S} {13,S} +4 C u0 p0 c0 {5,S} {14,S} {15,S} {16,S} +5 *2 C u1 p0 c0 {1,S} {4,S} {17,S} +6 C u0 p0 c0 {2,S} {7,D} {18,S} +7 C u0 p0 c0 {6,D} {19,S} {20,S} 8 H u0 p0 c0 {1,S} 9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {3,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {5,S} -13 H u0 p0 c0 {6,S} -14 H u0 p0 c0 {7,S} -15 H u0 p0 c0 {7,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {6,S} +19 H u0 p0 c0 {7,S} +20 H u0 p0 c0 {7,S} -C7H8-2 +C7H8 1 C u0 p0 c0 {2,S} {3,S} {4,S} {8,S} 2 C u0 p0 c0 {1,S} {5,D} {9,S} 3 C u0 p0 c0 {1,S} {6,D} {10,S} -4 *1 C u0 p0 c0 {1,S} {7,D} {11,S} +4 *2 C u0 p0 c0 {1,S} {7,D} {11,S} 5 C u0 p0 c0 {2,D} {6,S} {12,S} 6 C u0 p0 c0 {3,D} {5,S} {13,S} -7 *2 C u0 p0 c0 {4,D} {14,S} {15,S} +7 *1 C u0 p0 c0 {4,D} {14,S} {15,S} 8 H u0 p0 c0 {1,S} 9 H u0 p0 c0 {2,S} 10 H u0 p0 c0 {3,S} @@ -363,40 +324,39 @@ C7H8-2 14 H u0 p0 c0 {7,S} 15 H u0 p0 c0 {7,S} -C10H11-12 +H multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {4,S} {11,S} -2 C u0 p0 c0 {1,S} {6,S} {12,S} {13,S} -3 *1 C u0 p0 c0 {1,S} {5,S} {14,S} {15,S} -4 C u0 p0 c0 {1,S} {7,D} {8,S} -5 *2 C u1 p0 c0 {3,S} {7,S} {17,S} -6 C u0 p0 c0 {2,S} {9,D} {16,S} -7 C u0 p0 c0 {4,D} {5,S} {18,S} -8 C u0 p0 c0 {4,S} {10,D} {19,S} -9 C u0 p0 c0 {6,D} {10,S} {20,S} -10 C u0 p0 c0 {8,D} {9,S} {21,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {3,S} -15 *3 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {6,S} -17 H u0 p0 c0 {5,S} -18 H u0 p0 c0 {7,S} -19 H u0 p0 c0 {8,S} -20 H u0 p0 c0 {9,S} -21 H u0 p0 c0 {10,S} +1 *3 H u1 p0 c0 -C7H8-7 -1 C u0 p0 c0 {3,S} {4,S} {8,S} {9,S} -2 C u0 p0 c0 {5,S} {6,S} {7,D} -3 *1 C u0 p0 c0 {1,S} {5,D} {10,S} -4 C u0 p0 c0 {1,S} {6,D} {11,S} -5 *2 C u0 p0 c0 {2,S} {3,D} {12,S} -6 C u0 p0 c0 {2,S} {4,D} {13,S} -7 C u0 p0 c0 {2,D} {14,S} {15,S} +C7H9 +multiplicity 2 +1 C u0 p0 c0 {3,S} {4,S} {5,S} {8,S} +2 *1 C u0 p0 c0 {3,S} {9,S} {10,S} {11,S} +3 *2 C u1 p0 c0 {1,S} {2,S} {12,S} +4 C u0 p0 c0 {1,S} {6,D} {13,S} +5 C u0 p0 c0 {1,S} {7,D} {14,S} +6 C u0 p0 c0 {4,D} {7,S} {15,S} +7 C u0 p0 c0 {5,D} {6,S} {16,S} 8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 *3 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {6,S} +16 H u0 p0 c0 {7,S} + +C7H8-2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {8,S} +2 C u0 p0 c0 {1,S} {5,D} {9,S} +3 C u0 p0 c0 {1,S} {6,D} {10,S} +4 *1 C u0 p0 c0 {1,S} {7,D} {11,S} +5 C u0 p0 c0 {2,D} {6,S} {12,S} +6 C u0 p0 c0 {3,D} {5,S} {13,S} +7 *2 C u0 p0 c0 {4,D} {14,S} {15,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} 10 H u0 p0 c0 {3,S} 11 H u0 p0 c0 {4,S} 12 H u0 p0 c0 {5,S} @@ -404,39 +364,60 @@ C7H8-7 14 H u0 p0 c0 {7,S} 15 H u0 p0 c0 {7,S} -C7H8-6 -1 C u0 p0 c0 {2,S} {3,S} {8,S} {9,S} -2 *1 C u0 p0 c0 {1,S} {4,S} {7,D} -3 C u0 p0 c0 {1,S} {5,D} {10,S} -4 C u0 p0 c0 {2,S} {6,D} {11,S} +C7H9-2 +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {8,S} +2 *1 C u0 p0 c0 {1,S} {7,S} {9,S} {10,S} +3 C u0 p0 c0 {1,S} {5,D} {11,S} +4 C u0 p0 c0 {1,S} {6,D} {12,S} 5 C u0 p0 c0 {3,D} {6,S} {13,S} -6 C u0 p0 c0 {4,D} {5,S} {12,S} -7 *2 C u0 p0 c0 {2,D} {14,S} {15,S} +6 C u0 p0 c0 {4,D} {5,S} {14,S} +7 *2 C u1 p0 c0 {2,S} {15,S} {16,S} 8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 *3 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {7,S} + +C7H8-3 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {8,S} +2 *1 C u0 p0 c0 {1,S} {5,D} {9,S} +3 C u0 p0 c0 {1,S} {6,D} {10,S} +4 C u0 p0 c0 {1,S} {7,D} {11,S} +5 *2 C u0 p0 c0 {2,D} {6,S} {12,S} +6 C u0 p0 c0 {3,D} {5,S} {13,S} +7 C u0 p0 c0 {4,D} {14,S} {15,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} 10 H u0 p0 c0 {3,S} 11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {6,S} -13 H u0 p0 c0 {5,S} +12 H u0 p0 c0 {5,S} +13 H u0 p0 c0 {6,S} 14 H u0 p0 c0 {7,S} 15 H u0 p0 c0 {7,S} -C7H8-5 -1 C u0 p0 c0 {2,S} {8,S} {9,S} {10,S} -2 *1 C u0 p0 c0 {1,S} {3,B} {4,B} -3 *2 C u0 p0 c0 {2,B} {6,B} {14,S} -4 C u0 p0 c0 {2,B} {7,B} {15,S} -5 C u0 p0 c0 {6,B} {7,B} {11,S} -6 C u0 p0 c0 {3,B} {5,B} {12,S} -7 C u0 p0 c0 {4,B} {5,B} {13,S} +C7H9-3 +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {5,S} {8,S} +2 *1 C u0 p0 c0 {1,S} {4,S} {9,S} {10,S} +3 C u0 p0 c0 {1,S} {6,D} {11,S} +4 *2 C u1 p0 c0 {2,S} {6,S} {13,S} +5 C u0 p0 c0 {1,S} {7,D} {12,S} +6 C u0 p0 c0 {3,D} {4,S} {14,S} +7 C u0 p0 c0 {5,D} {15,S} {16,S} 8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {5,S} -12 H u0 p0 c0 {6,S} -13 H u0 p0 c0 {7,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {4,S} +9 H u0 p0 c0 {2,S} +10 *3 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {5,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {7,S} C7H8-4 1 C u0 p0 c0 {2,S} {3,S} {4,S} {8,S} @@ -455,38 +436,233 @@ C7H8-4 14 H u0 p0 c0 {7,S} 15 H u0 p0 c0 {7,S} -C10H11-15 +C7H9-4 multiplicity 2 -1 *1 C u0 p0 c0 {3,S} {11,S} {12,S} {13,S} -2 C u0 p0 c0 {4,B} {5,B} {6,S} -3 *2 C u1 p0 c0 {1,S} {7,S} {14,S} -4 C u0 p0 c0 {2,B} {8,B} {15,S} -5 C u0 p0 c0 {2,B} {10,B} {16,S} -6 C u0 p0 c0 {2,S} {7,D} {17,S} -7 C u0 p0 c0 {3,S} {6,D} {21,S} -8 C u0 p0 c0 {4,B} {9,B} {18,S} -9 C u0 p0 c0 {8,B} {10,B} {20,S} -10 C u0 p0 c0 {5,B} {9,B} {19,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {1,S} -13 *3 H u0 p0 c0 {1,S} +1 C u0 p0 c0 {3,S} {4,S} {6,S} {8,S} +2 *1 C u0 p0 c0 {3,S} {5,S} {9,S} {10,S} +3 *2 C u1 p0 c0 {1,S} {2,S} {11,S} +4 C u0 p0 c0 {1,S} {5,D} {12,S} +5 C u0 p0 c0 {2,S} {4,D} {14,S} +6 C u0 p0 c0 {1,S} {7,D} {13,S} +7 C u0 p0 c0 {6,D} {15,S} {16,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 *3 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {6,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {7,S} + +C7H9-5 +multiplicity 2 +1 *3 C u0 p0 c0 {2,S} {3,S} {4,S} {8,S} +2 *1 C u0 p0 c0 {1,S} {7,S} {9,S} {10,S} +3 C u0 p0 c0 {1,S} {5,D} {11,S} +4 C u0 p0 c0 {1,S} {6,D} {12,S} +5 C u0 p0 c0 {3,D} {6,S} {13,S} +6 C u0 p0 c0 {4,D} {5,S} {14,S} +7 *2 C u1 p0 c0 {2,S} {15,S} {16,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {7,S} + +C5H5 +multiplicity 2 +1 *3 C u1 p0 c0 {2,S} {3,S} {6,S} +2 C u0 p0 c0 {1,S} {4,D} {7,S} +3 C u0 p0 c0 {1,S} {5,D} {8,S} +4 C u0 p0 c0 {2,D} {5,S} {9,S} +5 C u0 p0 c0 {3,D} {4,S} {10,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {3,S} +9 H u0 p0 c0 {4,S} +10 H u0 p0 c0 {5,S} + +C7H9-6 +multiplicity 2 +1 *1 C u0 p0 c0 {2,S} {3,S} {8,S} {9,S} +2 *3 C u0 p0 c0 {1,S} {10,S} {11,S} {12,S} +3 *2 C u1 p0 c0 {1,S} {4,S} {5,S} +4 C u0 p0 c0 {3,S} {6,D} {14,S} +5 C u0 p0 c0 {3,S} {7,D} {16,S} +6 C u0 p0 c0 {4,D} {7,S} {13,S} +7 C u0 p0 c0 {5,D} {6,S} {15,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {6,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {5,S} + +C6H6 +1 *2 C u0 p0 c0 {2,S} {3,S} {6,D} +2 C u0 p0 c0 {1,S} {4,D} {8,S} +3 C u0 p0 c0 {1,S} {5,D} {10,S} +4 C u0 p0 c0 {2,D} {5,S} {7,S} +5 C u0 p0 c0 {3,D} {4,S} {9,S} +6 *1 C u0 p0 c0 {1,D} {11,S} {12,S} +7 H u0 p0 c0 {4,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {5,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {6,S} +12 H u0 p0 c0 {6,S} + +CH3 +multiplicity 2 +1 *3 C u1 p0 c0 {2,S} {3,S} {4,S} +2 H u0 p0 c0 {1,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} + +C7H9-7 +multiplicity 2 +1 *1 C u0 p0 c0 {3,S} {4,S} {6,S} {8,S} +2 C u0 p0 c0 {3,S} {5,S} {9,S} {10,S} +3 *2 C u1 p0 c0 {1,S} {2,S} {11,S} +4 C u0 p0 c0 {1,S} {5,D} {13,S} +5 C u0 p0 c0 {2,S} {4,D} {12,S} +6 *3 C u0 p0 c0 {1,S} {7,D} {14,S} +7 C u0 p0 c0 {6,D} {15,S} {16,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {5,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {7,S} + +C5H6 +1 C u0 p0 c0 {2,S} {3,S} {6,S} {7,S} +2 *2 C u0 p0 c0 {1,S} {4,D} {8,S} +3 C u0 p0 c0 {1,S} {5,D} {9,S} +4 *1 C u0 p0 c0 {2,D} {5,S} {10,S} +5 C u0 p0 c0 {3,D} {4,S} {11,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {4,S} +11 H u0 p0 c0 {5,S} + +C2H3 +multiplicity 2 +1 C u0 p0 c0 {2,D} {3,S} {4,S} +2 *3 C u1 p0 c0 {1,D} {5,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {2,S} + +C7H9-8 +multiplicity 2 +1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {8,S} +2 *3 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} +3 *2 C u1 p0 c0 {1,S} {6,S} {13,S} +4 C u0 p0 c0 {1,S} {5,D} {12,S} +5 C u0 p0 c0 {4,D} {7,S} {14,S} +6 C u0 p0 c0 {3,S} {7,D} {15,S} +7 C u0 p0 c0 {5,S} {6,D} {16,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {6,S} +16 H u0 p0 c0 {7,S} + +C6H6-2 +1 *1 C u0 p0 c0 {2,B} {3,B} {7,S} +2 C u0 p0 c0 {1,B} {4,B} {8,S} +3 *2 C u0 p0 c0 {1,B} {5,B} {9,S} +4 C u0 p0 c0 {2,B} {6,B} {10,S} +5 C u0 p0 c0 {3,B} {6,B} {11,S} +6 C u0 p0 c0 {4,B} {5,B} {12,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {4,S} +11 H u0 p0 c0 {5,S} +12 H u0 p0 c0 {6,S} + +C7H9-9 +multiplicity 2 +1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {8,S} +2 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} +3 *2 C u1 p0 c0 {1,S} {5,S} {12,S} +4 C u0 p0 c0 {1,S} {6,D} {13,S} +5 C u0 p0 c0 {3,S} {7,D} {15,S} +6 C u0 p0 c0 {4,D} {7,S} {16,S} +7 C u0 p0 c0 {5,D} {6,S} {14,S} +8 *3 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {6,S} + +C7H8-5 +1 C u0 p0 c0 {2,S} {8,S} {9,S} {10,S} +2 *1 C u0 p0 c0 {1,S} {3,B} {4,B} +3 *2 C u0 p0 c0 {2,B} {6,B} {14,S} +4 C u0 p0 c0 {2,B} {7,B} {15,S} +5 C u0 p0 c0 {6,B} {7,B} {11,S} +6 C u0 p0 c0 {3,B} {5,B} {12,S} +7 C u0 p0 c0 {4,B} {5,B} {13,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {5,S} +12 H u0 p0 c0 {6,S} +13 H u0 p0 c0 {7,S} 14 H u0 p0 c0 {3,S} 15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {5,S} -17 H u0 p0 c0 {6,S} -18 H u0 p0 c0 {8,S} -19 H u0 p0 c0 {10,S} -20 H u0 p0 c0 {9,S} -21 H u0 p0 c0 {7,S} -C7H8-9 +C7H9-10 +multiplicity 2 +1 *1 C u0 p0 c0 {2,S} {3,S} {7,S} {8,S} +2 C u0 p0 c0 {1,S} {4,S} {9,S} {10,S} +3 C u0 p0 c0 {1,S} {6,D} {12,S} +4 C u0 p0 c0 {2,S} {5,D} {11,S} +5 C u0 p0 c0 {4,D} {6,S} {14,S} +6 C u0 p0 c0 {3,D} {5,S} {13,S} +7 *2 C u1 p0 c0 {1,S} {15,S} {16,S} +8 *3 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {6,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {7,S} + +C7H8-6 1 C u0 p0 c0 {2,S} {3,S} {8,S} {9,S} -2 C u0 p0 c0 {1,S} {4,S} {7,D} -3 *1 C u0 p0 c0 {1,S} {5,D} {10,S} +2 *1 C u0 p0 c0 {1,S} {4,S} {7,D} +3 C u0 p0 c0 {1,S} {5,D} {10,S} 4 C u0 p0 c0 {2,S} {6,D} {11,S} -5 *2 C u0 p0 c0 {3,D} {6,S} {13,S} +5 C u0 p0 c0 {3,D} {6,S} {13,S} 6 C u0 p0 c0 {4,D} {5,S} {12,S} -7 C u0 p0 c0 {2,D} {14,S} {15,S} +7 *2 C u0 p0 c0 {2,D} {14,S} {15,S} 8 H u0 p0 c0 {1,S} 9 H u0 p0 c0 {1,S} 10 H u0 p0 c0 {3,S} @@ -496,6 +672,61 @@ C7H8-9 14 H u0 p0 c0 {7,S} 15 H u0 p0 c0 {7,S} +C7H9-11 +multiplicity 2 +1 C u0 p0 c0 {2,S} {5,S} {8,S} {9,S} +2 *1 C u0 p0 c0 {1,S} {4,S} {10,S} {11,S} +3 C u0 p0 c0 {4,S} {6,S} {7,D} +4 *2 C u1 p0 c0 {2,S} {3,S} {13,S} +5 C u0 p0 c0 {1,S} {6,D} {12,S} +6 C u0 p0 c0 {3,S} {5,D} {14,S} +7 C u0 p0 c0 {3,D} {15,S} {16,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {2,S} +11 *3 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {5,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {7,S} + +C7H8-7 +1 C u0 p0 c0 {3,S} {4,S} {8,S} {9,S} +2 C u0 p0 c0 {5,S} {6,S} {7,D} +3 *1 C u0 p0 c0 {1,S} {5,D} {10,S} +4 C u0 p0 c0 {1,S} {6,D} {11,S} +5 *2 C u0 p0 c0 {2,S} {3,D} {12,S} +6 C u0 p0 c0 {2,S} {4,D} {13,S} +7 C u0 p0 c0 {2,D} {14,S} {15,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {5,S} +13 H u0 p0 c0 {6,S} +14 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {7,S} + +C7H9-12 +multiplicity 2 +1 C u0 p0 c0 {2,S} {4,S} {8,S} {9,S} +2 *1 C u0 p0 c0 {1,S} {3,S} {10,S} {11,S} +3 *2 C u1 p0 c0 {2,S} {6,S} {13,S} +4 C u0 p0 c0 {1,S} {5,D} {12,S} +5 C u0 p0 c0 {4,D} {7,S} {16,S} +6 C u0 p0 c0 {3,S} {7,D} {14,S} +7 C u0 p0 c0 {5,S} {6,D} {15,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {2,S} +11 *3 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {5,S} + C7H8-8 1 C u0 p0 c0 {2,S} {3,S} {8,S} {9,S} 2 *1 C u0 p0 c0 {1,S} {4,D} {10,S} @@ -513,228 +744,172 @@ C7H8-8 14 H u0 p0 c0 {7,S} 15 H u0 p0 c0 {5,S} -C6H7-4 +C7H9-13 multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {7,S} {8,S} {9,S} -2 *2 C u1 p0 c0 {1,S} {3,S} {4,S} -3 C u0 p0 c0 {2,S} {5,D} {10,S} +1 *1 C u0 p0 c0 {2,S} {3,S} {5,S} {8,S} +2 C u0 p0 c0 {1,S} {4,S} {9,S} {10,S} +3 *2 C u1 p0 c0 {1,S} {6,S} {12,S} 4 C u0 p0 c0 {2,S} {6,D} {11,S} -5 C u0 p0 c0 {3,D} {6,S} {12,S} -6 C u0 p0 c0 {4,D} {5,S} {13,S} -7 H u0 p0 c0 {1,S} +5 *3 C u0 p0 c0 {1,S} {7,D} {13,S} +6 C u0 p0 c0 {3,S} {4,D} {14,S} +7 C u0 p0 c0 {5,D} {15,S} {16,S} 8 H u0 p0 c0 {1,S} -9 *3 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {3,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} 11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {5,S} -13 H u0 p0 c0 {6,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {7,S} -C7H10-2 -1 C u0 p0 c0 {4,S} {5,S} {8,S} {9,S} -2 C u0 p0 c0 {4,S} {10,S} {11,S} {12,S} -3 C u0 p0 c0 {5,S} {13,S} {14,S} {15,S} -4 *2 C u0 p0 c0 {1,S} {2,S} {6,D} -5 C u0 p0 c0 {1,S} {3,S} {7,D} -6 *1 C u0 p0 c0 {4,D} {7,S} {16,S} -7 C u0 p0 c0 {5,D} {6,S} {17,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {1,S} +C5H6-2 +1 C u0 p0 c0 {2,S} {3,S} {6,S} {7,S} +2 *1 C u0 p0 c0 {1,S} {4,D} {8,S} +3 C u0 p0 c0 {1,S} {5,D} {9,S} +4 *2 C u0 p0 c0 {2,D} {5,S} {10,S} +5 C u0 p0 c0 {3,D} {4,S} {11,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {4,S} +11 H u0 p0 c0 {5,S} + +C6H6-3 +1 *1 C u0 p0 c0 {2,S} {3,S} {6,D} +2 C u0 p0 c0 {1,S} {4,D} {7,S} +3 C u0 p0 c0 {1,S} {5,D} {8,S} +4 C u0 p0 c0 {2,D} {5,S} {9,S} +5 C u0 p0 c0 {3,D} {4,S} {10,S} +6 *2 C u0 p0 c0 {1,D} {11,S} {12,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {3,S} +9 H u0 p0 c0 {4,S} +10 H u0 p0 c0 {5,S} +11 H u0 p0 c0 {6,S} +12 H u0 p0 c0 {6,S} + +C7H9-14 +multiplicity 2 +1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {7,S} +2 *3 C u0 p0 c0 {1,S} {8,S} {9,S} {10,S} +3 C u0 p0 c0 {1,S} {5,D} {11,S} +4 C u0 p0 c0 {1,S} {6,D} {12,S} +5 C u0 p0 c0 {3,D} {6,S} {13,S} +6 C u0 p0 c0 {4,D} {5,S} {14,S} +7 *2 C u1 p0 c0 {1,S} {15,S} {16,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} 10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {6,S} -17 H u0 p0 c0 {7,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {7,S} -C10H11-17 +C7H9-15 multiplicity 2 -1 *1 C u0 p0 c0 {3,S} {4,S} {6,S} {11,S} -2 C u0 p0 c0 {5,S} {6,S} {12,S} {13,S} -3 C u0 p0 c0 {1,S} {14,S} {15,S} {16,S} -4 C u0 p0 c0 {1,S} {5,B} {8,B} -5 C u0 p0 c0 {2,S} {4,B} {7,B} -6 *2 C u1 p0 c0 {1,S} {2,S} {17,S} -7 C u0 p0 c0 {5,B} {9,B} {18,S} -8 C u0 p0 c0 {4,B} {10,B} {19,S} -9 C u0 p0 c0 {7,B} {10,B} {20,S} -10 C u0 p0 c0 {8,B} {9,B} {21,S} -11 *3 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {6,S} -18 H u0 p0 c0 {7,S} -19 H u0 p0 c0 {8,S} -20 H u0 p0 c0 {9,S} -21 H u0 p0 c0 {10,S} - -C10H11-16 -multiplicity 2 -1 *1 C u0 p0 c0 {3,S} {4,S} {6,S} {11,S} -2 C u0 p0 c0 {4,S} {7,S} {12,S} {13,S} -3 *3 C u0 p0 c0 {1,S} {14,S} {15,S} {16,S} -4 *2 C u1 p0 c0 {1,S} {2,S} {5,S} -5 C u0 p0 c0 {4,S} {8,S} {9,D} -6 C u0 p0 c0 {1,S} {10,D} {18,S} -7 C u0 p0 c0 {2,S} {8,D} {17,S} -8 C u0 p0 c0 {5,S} {7,D} {19,S} -9 C u0 p0 c0 {5,D} {10,S} {20,S} -10 C u0 p0 c0 {6,D} {9,S} {21,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {7,S} -18 H u0 p0 c0 {6,S} -19 H u0 p0 c0 {8,S} -20 H u0 p0 c0 {9,S} -21 H u0 p0 c0 {10,S} +1 C u0 p0 c0 {2,S} {3,S} {8,S} {9,S} +2 *1 C u0 p0 c0 {1,S} {4,S} {10,S} {11,S} +3 C u0 p0 c0 {1,S} {5,S} {7,D} +4 *2 C u1 p0 c0 {2,S} {6,S} {12,S} +5 C u0 p0 c0 {3,S} {6,D} {13,S} +6 C u0 p0 c0 {4,S} {5,D} {14,S} +7 C u0 p0 c0 {3,D} {15,S} {16,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {2,S} +11 *3 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {7,S} -C8H7-3 -multiplicity 2 -1 C u0 p0 c0 {2,B} {3,B} {7,S} -2 C u0 p0 c0 {1,B} {4,B} {9,S} -3 C u0 p0 c0 {1,B} {5,B} {10,S} -4 C u0 p0 c0 {2,B} {6,B} {11,S} -5 C u0 p0 c0 {3,B} {6,B} {12,S} -6 C u0 p0 c0 {4,B} {5,B} {13,S} -7 *1 C u0 p0 c0 {1,S} {8,D} {14,S} -8 *2 C u1 p0 c0 {7,D} {15,S} -9 H u0 p0 c0 {2,S} +C7H8-9 +1 C u0 p0 c0 {2,S} {3,S} {8,S} {9,S} +2 C u0 p0 c0 {1,S} {4,S} {7,D} +3 *1 C u0 p0 c0 {1,S} {5,D} {10,S} +4 C u0 p0 c0 {2,S} {6,D} {11,S} +5 *2 C u0 p0 c0 {3,D} {6,S} {13,S} +6 C u0 p0 c0 {4,D} {5,S} {12,S} +7 C u0 p0 c0 {2,D} {14,S} {15,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {1,S} 10 H u0 p0 c0 {3,S} 11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {5,S} -13 H u0 p0 c0 {6,S} -14 *3 H u0 p0 c0 {7,S} -15 H u0 p0 c0 {8,S} +12 H u0 p0 c0 {6,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {7,S} -C8H7-2 -multiplicity 2 -1 C u0 p0 c0 {2,B} {3,B} {7,S} -2 C u0 p0 c0 {1,B} {6,B} {11,S} -3 C u0 p0 c0 {1,B} {4,B} {12,S} -4 C u0 p0 c0 {3,B} {5,B} {13,S} -5 C u0 p0 c0 {4,B} {6,B} {10,S} -6 C u0 p0 c0 {2,B} {5,B} {9,S} -7 C u0 p0 c0 {1,S} {8,D} {14,S} -8 *3 C u1 p0 c0 {7,D} {15,S} -9 H u0 p0 c0 {6,S} +C6H6-4 +1 C u0 p0 c0 {2,S} {3,S} {6,D} +2 *1 C u0 p0 c0 {1,S} {4,D} {7,S} +3 C u0 p0 c0 {1,S} {5,D} {8,S} +4 *2 C u0 p0 c0 {2,D} {5,S} {9,S} +5 C u0 p0 c0 {3,D} {4,S} {10,S} +6 C u0 p0 c0 {1,D} {11,S} {12,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {3,S} +9 H u0 p0 c0 {4,S} 10 H u0 p0 c0 {5,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {4,S} -14 H u0 p0 c0 {7,S} -15 H u0 p0 c0 {8,S} +11 H u0 p0 c0 {6,S} +12 H u0 p0 c0 {6,S} -hept1en5yl +C7H9-16 multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {5,S} {12,S} {13,S} -2 *3 C u0 p0 c0 {1,S} {6,S} {10,S} {11,S} -3 C u0 p0 c0 {4,S} {5,S} {8,S} {9,S} -4 C u0 p0 c0 {3,S} {14,S} {15,S} {16,S} -5 *2 C u1 p0 c0 {1,S} {3,S} {17,S} -6 C u0 p0 c0 {2,S} {7,D} {18,S} -7 C u0 p0 c0 {6,D} {19,S} {20,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {3,S} +1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {8,S} +2 *3 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} +3 C u0 p0 c0 {1,S} {5,S} {7,D} +4 *2 C u1 p0 c0 {1,S} {6,S} {12,S} +5 C u0 p0 c0 {3,S} {6,D} {13,S} +6 C u0 p0 c0 {4,S} {5,D} {14,S} +7 C u0 p0 c0 {3,D} {15,S} {16,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} 10 H u0 p0 c0 {2,S} 11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {1,S} -14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {5,S} -18 H u0 p0 c0 {6,S} -19 H u0 p0 c0 {7,S} -20 H u0 p0 c0 {7,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {7,S} -C8H8-2 -1 C u0 p0 c0 {2,B} {3,B} {4,S} -2 C u0 p0 c0 {1,B} {5,B} {10,S} -3 C u0 p0 c0 {1,B} {6,B} {11,S} -4 *1 C u0 p0 c0 {1,S} {8,D} {9,S} -5 C u0 p0 c0 {2,B} {7,B} {12,S} -6 C u0 p0 c0 {3,B} {7,B} {13,S} -7 C u0 p0 c0 {5,B} {6,B} {14,S} -8 *2 C u0 p0 c0 {4,D} {15,S} {16,S} +C6H6-5 +1 C u0 p0 c0 {2,S} {3,S} {6,D} +2 *2 C u0 p0 c0 {1,S} {4,D} {7,S} +3 C u0 p0 c0 {1,S} {5,D} {8,S} +4 *1 C u0 p0 c0 {2,D} {5,S} {9,S} +5 C u0 p0 c0 {3,D} {4,S} {10,S} +6 C u0 p0 c0 {1,D} {11,S} {12,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {3,S} 9 H u0 p0 c0 {4,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {5,S} -13 H u0 p0 c0 {6,S} -14 H u0 p0 c0 {7,S} -15 H u0 p0 c0 {8,S} -16 H u0 p0 c0 {8,S} +10 H u0 p0 c0 {5,S} +11 H u0 p0 c0 {6,S} +12 H u0 p0 c0 {6,S} -C8H8-3 -1 C u0 p0 c0 {2,S} {3,S} {5,S} {9,S} -2 C u0 p0 c0 {1,S} {4,S} {10,S} {11,S} -3 *2 C u0 p0 c0 {1,S} {4,D} {6,S} -4 *1 C u0 p0 c0 {2,S} {3,D} {13,S} -5 C u0 p0 c0 {1,S} {7,D} {12,S} -6 C u0 p0 c0 {3,S} {8,D} {16,S} -7 C u0 p0 c0 {5,D} {8,S} {14,S} -8 C u0 p0 c0 {6,D} {7,S} {15,S} -9 H u0 p0 c0 {1,S} +C7H9-17 +multiplicity 2 +1 *1 C u0 p0 c0 {2,S} {4,S} {5,S} {8,S} +2 *3 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} +3 C u0 p0 c0 {4,S} {6,S} {7,D} +4 *2 C u1 p0 c0 {1,S} {3,S} {12,S} +5 C u0 p0 c0 {1,S} {6,D} {13,S} +6 C u0 p0 c0 {3,S} {5,D} {14,S} +7 C u0 p0 c0 {3,D} {15,S} {16,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} 10 H u0 p0 c0 {2,S} 11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {5,S} -13 H u0 p0 c0 {4,S} -14 H u0 p0 c0 {7,S} -15 H u0 p0 c0 {8,S} -16 H u0 p0 c0 {6,S} - -C12H19-1 -multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {8,S} {9,S} {13,S} -2 C u0 p0 c0 {1,S} {5,S} {22,S} {23,S} -3 C u0 p0 c0 {4,S} {6,S} {16,S} {17,S} -4 C u0 p0 c0 {3,S} {5,S} {18,S} {19,S} -5 C u0 p0 c0 {2,S} {4,S} {20,S} {21,S} -6 C u0 p0 c0 {3,S} {7,S} {14,S} {15,S} -7 C u0 p0 c0 {6,S} {24,S} {25,S} {26,S} -8 *2 C u0 p0 c0 {1,S} {10,D} {27,S} -9 C u0 p0 c0 {1,S} {11,D} {28,S} -10 C u0 p0 c0 {8,D} {12,S} {30,S} -11 C u0 p0 c0 {9,D} {12,S} {31,S} -12 C u1 p0 c0 {10,S} {11,S} {29,S} -13 *3 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {5,S} 14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {6,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {3,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {4,S} -20 H u0 p0 c0 {5,S} -21 H u0 p0 c0 {5,S} -22 H u0 p0 c0 {2,S} -23 H u0 p0 c0 {2,S} -24 H u0 p0 c0 {7,S} -25 H u0 p0 c0 {7,S} -26 H u0 p0 c0 {7,S} -27 H u0 p0 c0 {8,S} -28 H u0 p0 c0 {9,S} -29 H u0 p0 c0 {12,S} -30 H u0 p0 c0 {10,S} -31 H u0 p0 c0 {11,S} - -allyl -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,D} {4,S} -2 *3 C u1 p0 c0 {1,S} {5,S} {6,S} -3 C u0 p0 c0 {1,D} {7,S} {8,S} -4 H u0 p0 c0 {1,S} -5 H u0 p0 c0 {2,S} -6 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {3,S} -8 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {7,S} C7H9-18 multiplicity 2 @@ -755,856 +930,678 @@ multiplicity 2 15 H u0 p0 c0 {7,S} 16 H u0 p0 c0 {7,S} -C7H9-19 +C7H8-10 +1 C u0 p0 c0 {2,S} {3,S} {8,S} {9,S} +2 C u0 p0 c0 {1,S} {4,S} {7,D} +3 *2 C u0 p0 c0 {1,S} {5,D} {10,S} +4 C u0 p0 c0 {2,S} {6,D} {11,S} +5 *1 C u0 p0 c0 {3,D} {6,S} {13,S} +6 C u0 p0 c0 {4,D} {5,S} {12,S} +7 C u0 p0 c0 {2,D} {14,S} {15,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {6,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {7,S} + +C7H7 multiplicity 2 -1 *3 C u0 p0 c0 {2,S} {3,S} {6,D} -2 *1 C u0 p0 c0 {1,S} {4,S} {5,D} -3 C u0 p0 c0 {1,S} {7,D} {8,S} -4 *2 C u1 p0 c0 {2,S} {9,S} {10,S} -5 C u0 p0 c0 {2,D} {11,S} {12,S} -6 C u0 p0 c0 {1,D} {15,S} {16,S} -7 C u0 p0 c0 {3,D} {13,S} {14,S} -8 H u0 p0 c0 {3,S} +1 *3 C u0 p0 c0 {2,S} {3,S} {6,S} {8,S} +2 C u0 p0 c0 {1,S} {4,D} {9,S} +3 C u0 p0 c0 {1,S} {5,D} {10,S} +4 C u0 p0 c0 {2,D} {5,S} {12,S} +5 C u0 p0 c0 {3,D} {4,S} {13,S} +6 *1 C u0 p0 c0 {1,S} {7,D} {11,S} +7 *2 C u1 p0 c0 {6,D} {14,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {6,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {7,S} + +C7H7-2 +multiplicity 2 +1 *2 C u1 p0 c0 {2,S} {3,S} {6,S} +2 C u0 p0 c0 {1,S} {4,D} {8,S} +3 C u0 p0 c0 {1,S} {5,D} {11,S} +4 C u0 p0 c0 {2,D} {5,S} {9,S} +5 C u0 p0 c0 {3,D} {4,S} {10,S} +6 *1 C u0 p0 c0 {1,S} {7,D} {12,S} +7 C u0 p0 c0 {6,D} {13,S} {14,S} +8 H u0 p0 c0 {2,S} 9 H u0 p0 c0 {4,S} -10 H u0 p0 c0 {4,S} -11 H u0 p0 c0 {5,S} -12 H u0 p0 c0 {5,S} +10 H u0 p0 c0 {5,S} +11 H u0 p0 c0 {3,S} +12 *3 H u0 p0 c0 {6,S} 13 H u0 p0 c0 {7,S} 14 H u0 p0 c0 {7,S} + +C7H6 +1 *2 C u0 p0 c0 {2,S} {3,S} {7,D} +2 C u0 p0 c0 {1,S} {4,D} {8,S} +3 C u0 p0 c0 {1,S} {5,D} {11,S} +4 C u0 p0 c0 {2,D} {5,S} {9,S} +5 C u0 p0 c0 {3,D} {4,S} {10,S} +6 C u0 p0 c0 {7,D} {12,S} {13,S} +7 *1 C u0 p0 c0 {1,D} {6,D} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {4,S} +10 H u0 p0 c0 {5,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {6,S} +13 H u0 p0 c0 {6,S} + +C3H4 +1 *2 C u0 p0 c0 {3,D} {4,S} {5,S} +2 C u0 p0 c0 {3,D} {6,S} {7,S} +3 *1 C u0 p0 c0 {1,D} {2,D} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} + +C6H9 +multiplicity 2 +1 *3 C u0 p0 c0 {2,S} {3,S} {7,S} {8,S} +2 *1 C u0 p0 c0 {1,S} {4,S} {5,D} +3 C u0 p0 c0 {1,S} {6,D} {9,S} +4 *2 C u1 p0 c0 {2,S} {10,S} {11,S} +5 C u0 p0 c0 {2,D} {12,S} {13,S} +6 C u0 p0 c0 {3,D} {14,S} {15,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {4,S} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {5,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {6,S} 15 H u0 p0 c0 {6,S} -16 H u0 p0 c0 {6,S} -C10H11 +C6H9-2 multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {4,S} {5,S} {11,S} -2 *3 C u0 p0 c0 {1,S} {6,S} {7,S} {12,S} -3 C u0 p0 c0 {4,S} {8,S} {13,S} {14,S} -4 *2 C u1 p0 c0 {1,S} {3,S} {15,S} -5 C u0 p0 c0 {1,S} {8,D} {17,S} -6 C u0 p0 c0 {2,S} {9,D} {18,S} -7 C u0 p0 c0 {2,S} {10,D} {19,S} -8 C u0 p0 c0 {3,S} {5,D} {16,S} -9 C u0 p0 c0 {6,D} {10,S} {20,S} -10 C u0 p0 c0 {7,D} {9,S} {21,S} -11 H u0 p0 c0 {1,S} +1 C u0 p0 c0 {2,S} {4,S} {7,S} {8,S} +2 C u0 p0 c0 {1,S} {5,S} {9,S} {10,S} +3 *1 C u0 p0 c0 {4,S} {5,S} {11,S} {12,S} +4 C u0 p0 c0 {1,S} {3,S} {6,D} +5 *2 C u1 p0 c0 {2,S} {3,S} {13,S} +6 C u0 p0 c0 {4,D} {14,S} {15,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {3,S} +12 *3 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {6,S} + +C6H8 +1 C u0 p0 c0 {2,S} {3,S} {7,S} {8,S} +2 C u0 p0 c0 {1,S} {4,S} {9,S} {10,S} +3 C u0 p0 c0 {1,S} {5,S} {6,D} +4 *2 C u0 p0 c0 {2,S} {5,D} {11,S} +5 *1 C u0 p0 c0 {3,S} {4,D} {12,S} +6 C u0 p0 c0 {3,D} {13,S} {14,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {5,S} +13 H u0 p0 c0 {6,S} +14 H u0 p0 c0 {6,S} + +C4H7 +multiplicity 2 +1 C u0 p0 c0 {2,S} {5,S} {6,S} {7,S} +2 C u0 p0 c0 {1,S} {3,S} {4,D} +3 *3 C u1 p0 c0 {2,S} {10,S} {11,S} +4 C u0 p0 c0 {2,D} {8,S} {9,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {4,S} +9 H u0 p0 c0 {4,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} + +C7H11 +multiplicity 2 +1 *3 C u0 p0 c0 {3,S} {4,S} {8,S} {9,S} +2 C u0 p0 c0 {3,S} {10,S} {11,S} {12,S} +3 C u0 p0 c0 {1,S} {2,S} {5,D} +4 *1 C u0 p0 c0 {1,S} {6,S} {7,D} +5 C u0 p0 c0 {3,D} {17,S} {18,S} +6 *2 C u1 p0 c0 {4,S} {13,S} {14,S} +7 C u0 p0 c0 {4,D} {15,S} {16,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {2,S} 12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {8,S} +13 H u0 p0 c0 {6,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {7,S} 17 H u0 p0 c0 {5,S} -18 H u0 p0 c0 {6,S} -19 H u0 p0 c0 {7,S} -20 H u0 p0 c0 {9,S} -21 H u0 p0 c0 {10,S} +18 H u0 p0 c0 {5,S} -C10H10 -1 C u0 p0 c0 {2,S} {3,S} {4,S} {11,S} -2 C u0 p0 c0 {1,S} {5,S} {12,S} {13,S} -3 *1 C u0 p0 c0 {1,S} {6,D} {7,S} -4 C u0 p0 c0 {1,S} {9,D} {14,S} -5 C u0 p0 c0 {2,S} {8,D} {15,S} -6 *2 C u0 p0 c0 {3,D} {8,S} {16,S} -7 C u0 p0 c0 {3,S} {10,D} {17,S} -8 C u0 p0 c0 {5,D} {6,S} {18,S} -9 C u0 p0 c0 {4,D} {10,S} {19,S} -10 C u0 p0 c0 {7,D} {9,S} {20,S} +C7H11-2 +multiplicity 2 +1 C u0 p0 c0 {2,S} {5,S} {10,S} {11,S} +2 C u0 p0 c0 {1,S} {6,S} {8,S} {9,S} +3 *1 C u0 p0 c0 {5,S} {6,S} {12,S} {13,S} +4 C u0 p0 c0 {5,S} {14,S} {15,S} {16,S} +5 *2 C u1 p0 c0 {1,S} {3,S} {4,S} +6 C u0 p0 c0 {2,S} {3,S} {7,D} +7 C u0 p0 c0 {6,D} {17,S} {18,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {1,S} 11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {3,S} +13 *3 H u0 p0 c0 {3,S} 14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {4,S} 17 H u0 p0 c0 {7,S} -18 H u0 p0 c0 {8,S} -19 H u0 p0 c0 {9,S} -20 H u0 p0 c0 {10,S} +18 H u0 p0 c0 {7,S} -C10H10-4 -1 C u0 p0 c0 {3,S} {5,S} {11,S} {12,S} -2 C u0 p0 c0 {4,S} {6,S} {13,S} {14,S} -3 *1 C u0 p0 c0 {1,S} {4,S} {7,D} -4 C u0 p0 c0 {2,S} {3,S} {8,D} -5 C u0 p0 c0 {1,S} {9,D} {15,S} -6 C u0 p0 c0 {2,S} {10,D} {16,S} -7 *2 C u0 p0 c0 {3,D} {10,S} {17,S} -8 C u0 p0 c0 {4,D} {9,S} {18,S} -9 C u0 p0 c0 {5,D} {8,S} {19,S} -10 C u0 p0 c0 {6,D} {7,S} {20,S} +C7H10 +1 C u0 p0 c0 {2,S} {4,S} {10,S} {11,S} +2 C u0 p0 c0 {1,S} {5,S} {8,S} {9,S} +3 C u0 p0 c0 {4,S} {12,S} {13,S} {14,S} +4 *2 C u0 p0 c0 {1,S} {3,S} {6,D} +5 C u0 p0 c0 {2,S} {6,S} {7,D} +6 *1 C u0 p0 c0 {4,D} {5,S} {15,S} +7 C u0 p0 c0 {5,D} {16,S} {17,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {1,S} 11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {6,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {6,S} +16 H u0 p0 c0 {7,S} 17 H u0 p0 c0 {7,S} -18 H u0 p0 c0 {8,S} -19 H u0 p0 c0 {9,S} -20 H u0 p0 c0 {10,S} -C10H10-5 -1 C u0 p0 c0 {2,S} {3,S} {4,S} {11,S} -2 C u0 p0 c0 {1,S} {5,S} {12,S} {13,S} -3 *1 C u0 p0 c0 {1,S} {6,S} {7,D} -4 C u0 p0 c0 {1,S} {8,D} {14,S} -5 C u0 p0 c0 {2,S} {6,D} {15,S} -6 C u0 p0 c0 {3,S} {5,D} {16,S} -7 *2 C u0 p0 c0 {3,D} {9,S} {17,S} -8 C u0 p0 c0 {4,D} {10,S} {18,S} -9 C u0 p0 c0 {7,S} {10,D} {19,S} -10 C u0 p0 c0 {8,S} {9,D} {20,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {6,S} -17 H u0 p0 c0 {7,S} -18 H u0 p0 c0 {8,S} -19 H u0 p0 c0 {9,S} -20 H u0 p0 c0 {10,S} - -C10H10-6 -1 C u0 p0 c0 {2,S} {3,S} {4,S} {11,S} -2 C u0 p0 c0 {1,S} {5,S} {12,S} {13,S} -3 C u0 p0 c0 {1,S} {6,S} {7,D} -4 *1 C u0 p0 c0 {1,S} {8,D} {14,S} -5 C u0 p0 c0 {2,S} {6,D} {15,S} -6 C u0 p0 c0 {3,S} {5,D} {16,S} -7 C u0 p0 c0 {3,D} {9,S} {17,S} -8 *2 C u0 p0 c0 {4,D} {10,S} {18,S} -9 C u0 p0 c0 {7,S} {10,D} {19,S} -10 C u0 p0 c0 {8,S} {9,D} {20,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {6,S} -17 H u0 p0 c0 {7,S} -18 H u0 p0 c0 {8,S} -19 H u0 p0 c0 {9,S} -20 H u0 p0 c0 {10,S} - -C10H10-7 -1 C u0 p0 c0 {2,S} {3,S} {4,S} {11,S} -2 C u0 p0 c0 {1,S} {5,S} {12,S} {13,S} -3 C u0 p0 c0 {1,S} {6,D} {7,S} -4 *1 C u0 p0 c0 {1,S} {8,D} {14,S} -5 C u0 p0 c0 {2,S} {9,D} {15,S} -6 C u0 p0 c0 {3,D} {8,S} {16,S} -7 C u0 p0 c0 {3,S} {10,D} {17,S} -8 *2 C u0 p0 c0 {4,D} {6,S} {18,S} -9 C u0 p0 c0 {5,D} {10,S} {19,S} -10 C u0 p0 c0 {7,D} {9,S} {20,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {6,S} -17 H u0 p0 c0 {7,S} -18 H u0 p0 c0 {8,S} -19 H u0 p0 c0 {9,S} -20 H u0 p0 c0 {10,S} +C3H4-2 +1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} +2 *2 C u0 p0 c0 {1,S} {3,T} +3 *1 C u0 p0 c0 {2,T} {7,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {3,S} -C10H10-2 -1 *1 C u0 p0 c0 {2,B} {3,B} {4,S} -2 *2 C u0 p0 c0 {1,B} {5,B} {11,S} -3 C u0 p0 c0 {1,B} {7,B} {12,S} -4 C u0 p0 c0 {1,S} {8,D} {13,S} -5 C u0 p0 c0 {2,B} {6,B} {14,S} -6 C u0 p0 c0 {5,B} {7,B} {16,S} -7 C u0 p0 c0 {3,B} {6,B} {15,S} -8 C u0 p0 c0 {4,D} {9,S} {17,S} -9 C u0 p0 c0 {8,S} {10,D} {18,S} -10 C u0 p0 c0 {9,D} {19,S} {20,S} +C6H9-3 +multiplicity 2 +1 *3 C u0 p0 c0 {3,S} {4,S} {7,S} {8,S} +2 C u0 p0 c0 {6,S} {9,S} {10,S} {11,S} +3 C u0 p0 c0 {1,S} {5,D} {12,S} +4 *1 C u0 p0 c0 {1,S} {6,D} {13,S} +5 C u0 p0 c0 {3,D} {14,S} {15,S} +6 *2 C u1 p0 c0 {2,S} {4,D} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} 11 H u0 p0 c0 {2,S} 12 H u0 p0 c0 {3,S} 13 H u0 p0 c0 {4,S} 14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {6,S} -17 H u0 p0 c0 {8,S} -18 H u0 p0 c0 {9,S} -19 H u0 p0 c0 {10,S} -20 H u0 p0 c0 {10,S} +15 H u0 p0 c0 {5,S} -C10H10-3 -1 C u0 p0 c0 {2,S} {3,S} {4,S} {11,S} -2 C u0 p0 c0 {1,S} {5,S} {12,S} {13,S} -3 *1 C u0 p0 c0 {1,S} {6,S} {7,D} -4 C u0 p0 c0 {1,S} {9,D} {15,S} -5 C u0 p0 c0 {2,S} {8,D} {14,S} -6 C u0 p0 c0 {3,S} {10,D} {18,S} -7 *2 C u0 p0 c0 {3,D} {9,S} {19,S} -8 C u0 p0 c0 {5,D} {10,S} {16,S} -9 C u0 p0 c0 {4,D} {7,S} {20,S} -10 C u0 p0 c0 {6,D} {8,S} {17,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {2,S} +C6H9-4 +multiplicity 2 +1 C u0 p0 c0 {4,S} {5,S} {7,S} {8,S} +2 *1 C u0 p0 c0 {5,S} {6,S} {9,S} {10,S} +3 C u0 p0 c0 {4,S} {11,S} {12,S} {13,S} +4 C u0 p0 c0 {1,S} {3,S} {6,D} +5 *2 C u1 p0 c0 {1,S} {2,S} {14,S} +6 C u0 p0 c0 {2,S} {4,D} {15,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 *3 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} 14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {8,S} -17 H u0 p0 c0 {10,S} -18 H u0 p0 c0 {6,S} -19 H u0 p0 c0 {7,S} -20 H u0 p0 c0 {9,S} - -C10H10-8 -1 C u0 p0 c0 {3,S} {5,S} {11,S} {12,S} -2 C u0 p0 c0 {3,S} {6,S} {13,S} {14,S} -3 *1 C u0 p0 c0 {1,S} {2,S} {4,D} -4 *2 C u0 p0 c0 {3,D} {7,S} {8,S} -5 C u0 p0 c0 {1,S} {7,D} {15,S} -6 C u0 p0 c0 {2,S} {9,D} {16,S} -7 C u0 p0 c0 {4,S} {5,D} {17,S} -8 C u0 p0 c0 {4,S} {10,D} {18,S} -9 C u0 p0 c0 {6,D} {10,S} {19,S} -10 C u0 p0 c0 {8,D} {9,S} {20,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {6,S} -17 H u0 p0 c0 {7,S} -18 H u0 p0 c0 {8,S} -19 H u0 p0 c0 {9,S} -20 H u0 p0 c0 {10,S} +15 H u0 p0 c0 {6,S} -C10H10-9 -1 C u0 p0 c0 {3,S} {5,S} {11,S} {12,S} -2 C u0 p0 c0 {4,S} {6,S} {13,S} {14,S} -3 *1 C u0 p0 c0 {1,S} {4,B} {7,B} -4 C u0 p0 c0 {2,S} {3,B} {8,B} -5 C u0 p0 c0 {1,S} {6,D} {15,S} -6 C u0 p0 c0 {2,S} {5,D} {16,S} -7 *2 C u0 p0 c0 {3,B} {10,B} {17,S} -8 C u0 p0 c0 {4,B} {9,B} {18,S} -9 C u0 p0 c0 {8,B} {10,B} {19,S} -10 C u0 p0 c0 {7,B} {9,B} {20,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {6,S} -17 H u0 p0 c0 {7,S} -18 H u0 p0 c0 {8,S} -19 H u0 p0 c0 {9,S} -20 H u0 p0 c0 {10,S} +C6H8-2 +1 C u0 p0 c0 {3,S} {4,S} {7,S} {8,S} +2 C u0 p0 c0 {3,S} {9,S} {10,S} {11,S} +3 C u0 p0 c0 {1,S} {2,S} {5,D} +4 *2 C u0 p0 c0 {1,S} {6,D} {12,S} +5 C u0 p0 c0 {3,D} {6,S} {13,S} +6 *1 C u0 p0 c0 {4,D} {5,S} {14,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {6,S} -C10H11-20 +C7H11-3 multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {3,S} {6,S} {11,S} -2 C u0 p0 c0 {1,S} {4,S} {12,S} {13,S} -3 C u0 p0 c0 {1,S} {14,S} {15,S} {16,S} -4 C u0 p0 c0 {2,S} {5,B} {7,B} -5 C u0 p0 c0 {4,B} {6,S} {8,B} -6 *2 C u1 p0 c0 {1,S} {5,S} {17,S} -7 C u0 p0 c0 {4,B} {9,B} {18,S} -8 C u0 p0 c0 {5,B} {10,B} {19,S} -9 C u0 p0 c0 {7,B} {10,B} {20,S} -10 C u0 p0 c0 {8,B} {9,B} {21,S} -11 *3 H u0 p0 c0 {1,S} +1 *3 C u0 p0 c0 {4,S} {5,S} {8,S} {9,S} +2 C u0 p0 c0 {4,S} {10,S} {11,S} {12,S} +3 C u0 p0 c0 {7,S} {13,S} {14,S} {15,S} +4 C u0 p0 c0 {1,S} {2,S} {6,D} +5 *1 C u0 p0 c0 {1,S} {7,D} {16,S} +6 C u0 p0 c0 {4,D} {17,S} {18,S} +7 *2 C u1 p0 c0 {3,S} {5,D} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {2,S} 12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {3,S} 14 H u0 p0 c0 {3,S} 15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {5,S} 17 H u0 p0 c0 {6,S} -18 H u0 p0 c0 {7,S} -19 H u0 p0 c0 {8,S} -20 H u0 p0 c0 {9,S} -21 H u0 p0 c0 {10,S} +18 H u0 p0 c0 {6,S} -C10H11-21 +C7H11-4 multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {3,S} {6,S} {11,S} -2 C u0 p0 c0 {1,S} {4,S} {12,S} {13,S} -3 *3 C u0 p0 c0 {1,S} {14,S} {15,S} {16,S} -4 C u0 p0 c0 {2,S} {5,B} {7,B} -5 C u0 p0 c0 {4,B} {6,S} {8,B} -6 *2 C u1 p0 c0 {1,S} {5,S} {17,S} -7 C u0 p0 c0 {4,B} {10,B} {21,S} -8 C u0 p0 c0 {5,B} {9,B} {18,S} -9 C u0 p0 c0 {8,B} {10,B} {19,S} -10 C u0 p0 c0 {7,B} {9,B} {20,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {2,S} +1 C u0 p0 c0 {5,S} {6,S} {8,S} {9,S} +2 *1 C u0 p0 c0 {5,S} {7,S} {10,S} {11,S} +3 C u0 p0 c0 {5,S} {12,S} {13,S} {14,S} +4 C u0 p0 c0 {6,S} {15,S} {16,S} {17,S} +5 *2 C u1 p0 c0 {1,S} {2,S} {3,S} +6 C u0 p0 c0 {1,S} {4,S} {7,D} +7 C u0 p0 c0 {2,S} {6,D} {18,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {2,S} +11 *3 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} 14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {6,S} -18 H u0 p0 c0 {8,S} -19 H u0 p0 c0 {9,S} -20 H u0 p0 c0 {10,S} -21 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {7,S} -C10H11-22 -multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {3,S} {11,S} {12,S} -2 *3 C u0 p0 c0 {1,S} {4,B} {5,B} -3 *2 C u1 p0 c0 {1,S} {9,S} {13,S} -4 C u0 p0 c0 {2,B} {8,B} {18,S} -5 C u0 p0 c0 {2,B} {7,B} {19,S} -6 C u0 p0 c0 {7,B} {8,B} {16,S} -7 C u0 p0 c0 {5,B} {6,B} {15,S} -8 C u0 p0 c0 {4,B} {6,B} {17,S} -9 C u0 p0 c0 {3,S} {10,D} {14,S} -10 C u0 p0 c0 {9,D} {20,S} {21,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {1,S} +C7H10-2 +1 C u0 p0 c0 {4,S} {5,S} {8,S} {9,S} +2 C u0 p0 c0 {4,S} {10,S} {11,S} {12,S} +3 C u0 p0 c0 {5,S} {13,S} {14,S} {15,S} +4 *2 C u0 p0 c0 {1,S} {2,S} {6,D} +5 C u0 p0 c0 {1,S} {3,S} {7,D} +6 *1 C u0 p0 c0 {4,D} {7,S} {16,S} +7 C u0 p0 c0 {5,D} {6,S} {17,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {2,S} 13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {9,S} -15 H u0 p0 c0 {7,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} 16 H u0 p0 c0 {6,S} -17 H u0 p0 c0 {8,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {5,S} -20 H u0 p0 c0 {10,S} -21 H u0 p0 c0 {10,S} - -C10H11-23 -multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {3,S} {9,S} {11,S} -2 *3 C u0 p0 c0 {1,S} {4,B} {5,B} -3 C u0 p0 c0 {1,S} {10,D} {12,S} -4 C u0 p0 c0 {2,B} {8,B} {16,S} -5 C u0 p0 c0 {2,B} {7,B} {17,S} -6 C u0 p0 c0 {7,B} {8,B} {14,S} -7 C u0 p0 c0 {5,B} {6,B} {13,S} -8 C u0 p0 c0 {4,B} {6,B} {15,S} -9 *2 C u1 p0 c0 {1,S} {18,S} {19,S} -10 C u0 p0 c0 {3,D} {20,S} {21,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {7,S} -14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {8,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {5,S} -18 H u0 p0 c0 {9,S} -19 H u0 p0 c0 {9,S} -20 H u0 p0 c0 {10,S} -21 H u0 p0 c0 {10,S} +17 H u0 p0 c0 {7,S} -C10H11-24 +C4H5 multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {3,S} {11,S} {12,S} -2 C u0 p0 c0 {1,S} {4,B} {5,B} -3 *2 C u1 p0 c0 {1,S} {9,S} {13,S} -4 C u0 p0 c0 {2,B} {6,B} {15,S} -5 C u0 p0 c0 {2,B} {7,B} {16,S} -6 C u0 p0 c0 {4,B} {8,B} {17,S} -7 C u0 p0 c0 {5,B} {8,B} {18,S} -8 C u0 p0 c0 {6,B} {7,B} {19,S} -9 C u0 p0 c0 {3,S} {10,D} {14,S} -10 C u0 p0 c0 {9,D} {20,S} {21,S} -11 H u0 p0 c0 {1,S} -12 *3 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {9,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {5,S} -17 H u0 p0 c0 {6,S} -18 H u0 p0 c0 {7,S} -19 H u0 p0 c0 {8,S} -20 H u0 p0 c0 {10,S} -21 H u0 p0 c0 {10,S} +1 C u0 p0 c0 {2,D} {4,S} {5,S} +2 C u0 p0 c0 {1,D} {6,S} {7,S} +3 C u0 p0 c0 {4,D} {8,S} {9,S} +4 *3 C u1 p0 c0 {1,S} {3,D} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {3,S} +9 H u0 p0 c0 {3,S} -CH2CH2NH2 +C7H9-19 multiplicity 2 -1 N u0 p1 c0 {2,S} {8,S} {9,S} -2 *1 C u0 p0 c0 {1,S} {3,S} {4,S} {5,S} -3 *2 C u1 p0 c0 {2,S} {6,S} {7,S} -4 *3 H u0 p0 c0 {2,S} -5 H u0 p0 c0 {2,S} -6 H u0 p0 c0 {3,S} -7 H u0 p0 c0 {3,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {1,S} - -C9H8 -1 C u0 p0 c0 {2,S} {3,S} {4,S} {10,S} -2 C u0 p0 c0 {1,S} {5,D} {6,S} -3 C u0 p0 c0 {1,S} {7,D} {11,S} -4 *1 C u0 p0 c0 {1,S} {8,D} {12,S} -5 C u0 p0 c0 {2,D} {7,S} {13,S} -6 C u0 p0 c0 {2,S} {9,D} {15,S} -7 C u0 p0 c0 {3,D} {5,S} {14,S} -8 *2 C u0 p0 c0 {4,D} {9,S} {17,S} -9 C u0 p0 c0 {6,D} {8,S} {16,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {5,S} +1 *3 C u0 p0 c0 {2,S} {3,S} {6,D} +2 *1 C u0 p0 c0 {1,S} {4,S} {5,D} +3 C u0 p0 c0 {1,S} {7,D} {8,S} +4 *2 C u1 p0 c0 {2,S} {9,S} {10,S} +5 C u0 p0 c0 {2,D} {11,S} {12,S} +6 C u0 p0 c0 {1,D} {15,S} {16,S} +7 C u0 p0 c0 {3,D} {13,S} {14,S} +8 H u0 p0 c0 {3,S} +9 H u0 p0 c0 {4,S} +10 H u0 p0 c0 {4,S} +11 H u0 p0 c0 {5,S} +12 H u0 p0 c0 {5,S} +13 H u0 p0 c0 {7,S} 14 H u0 p0 c0 {7,S} 15 H u0 p0 c0 {6,S} -16 H u0 p0 c0 {9,S} -17 H u0 p0 c0 {8,S} - -C9H9 -multiplicity 2 -1 C u0 p0 c0 {9,S} {10,S} {11,S} {12,S} -2 *3 C u0 p0 c0 {3,B} {4,B} {8,S} -3 C u0 p0 c0 {2,B} {6,B} {16,S} -4 C u0 p0 c0 {2,B} {7,B} {17,S} -5 C u0 p0 c0 {6,B} {7,B} {13,S} -6 C u0 p0 c0 {3,B} {5,B} {14,S} -7 C u0 p0 c0 {4,B} {5,B} {15,S} -8 *1 C u0 p0 c0 {2,S} {9,D} {18,S} -9 *2 C u1 p0 c0 {1,S} {8,D} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {8,S} +16 H u0 p0 c0 {6,S} -C8H7 +C7H9-20 multiplicity 2 -1 C u0 p0 c0 {2,B} {5,S} {8,B} -2 C u0 p0 c0 {1,B} {3,B} {10,S} -3 C u0 p0 c0 {2,B} {4,B} {11,S} -4 C u0 p0 c0 {3,B} {6,B} {9,S} -5 C u0 p0 c0 {1,S} {7,D} {12,S} -6 C u0 p0 c0 {4,B} {8,B} {13,S} -7 C u0 p0 c0 {5,D} {14,S} {15,S} -8 *3 C u1 p0 c0 {1,B} {6,B} -9 H u0 p0 c0 {4,S} +1 C u0 p0 c0 {2,S} {3,S} {8,S} {9,S} +2 *1 C u0 p0 c0 {1,S} {5,S} {10,S} {11,S} +3 C u0 p0 c0 {1,S} {4,S} {6,D} +4 C u0 p0 c0 {3,S} {5,S} {7,D} +5 *2 C u1 p0 c0 {2,S} {4,S} {12,S} +6 C u0 p0 c0 {3,D} {15,S} {16,S} +7 C u0 p0 c0 {4,D} {13,S} {14,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {1,S} 10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {3,S} +11 *3 H u0 p0 c0 {2,S} 12 H u0 p0 c0 {5,S} -13 H u0 p0 c0 {6,S} +13 H u0 p0 c0 {7,S} 14 H u0 p0 c0 {7,S} -15 H u0 p0 c0 {7,S} - -NH2 -multiplicity 2 -1 *3 N u1 p1 c0 {2,S} {3,S} -2 H u0 p0 c0 {1,S} -3 H u0 p0 c0 {1,S} - -C9H11-10 -multiplicity 2 -1 C u0 p0 c0 {3,S} {5,S} {10,S} {11,S} -2 *1 C u0 p0 c0 {3,S} {4,S} {12,S} {13,S} -3 C u0 p0 c0 {1,S} {2,S} {6,D} -4 *2 C u1 p0 c0 {2,S} {7,S} {15,S} -5 C u0 p0 c0 {1,S} {9,D} {14,S} -6 C u0 p0 c0 {3,D} {8,S} {16,S} -7 C u0 p0 c0 {4,S} {8,D} {18,S} -8 C u0 p0 c0 {6,S} {7,D} {17,S} -9 C u0 p0 c0 {5,D} {19,S} {20,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {2,S} -13 *3 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {6,S} 16 H u0 p0 c0 {6,S} -17 H u0 p0 c0 {8,S} -18 H u0 p0 c0 {7,S} -19 H u0 p0 c0 {9,S} -20 H u0 p0 c0 {9,S} - -C9H11-11 -multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {4,S} {10,S} {11,S} -2 C u0 p0 c0 {1,S} {12,S} {13,S} {14,S} -3 C u0 p0 c0 {4,S} {5,B} {6,B} -4 *2 C u1 p0 c0 {1,S} {3,S} {15,S} -5 C u0 p0 c0 {3,B} {7,B} {16,S} -6 C u0 p0 c0 {3,B} {9,B} {18,S} -7 C u0 p0 c0 {5,B} {8,B} {17,S} -8 C u0 p0 c0 {7,B} {9,B} {19,S} -9 C u0 p0 c0 {6,B} {8,B} {20,S} -10 H u0 p0 c0 {1,S} -11 *3 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {5,S} -17 H u0 p0 c0 {7,S} -18 H u0 p0 c0 {6,S} -19 H u0 p0 c0 {8,S} -20 H u0 p0 c0 {9,S} -C9H11-12 -multiplicity 2 -1 *1 C u0 p0 c0 {3,S} {4,S} {5,S} {10,S} -2 C u0 p0 c0 {3,S} {5,S} {6,S} {11,S} -3 C u0 p0 c0 {1,S} {2,S} {12,S} {13,S} -4 *3 C u0 p0 c0 {1,S} {14,S} {15,S} {16,S} -5 *2 C u1 p0 c0 {1,S} {2,S} {7,S} -6 C u0 p0 c0 {2,S} {8,D} {17,S} -7 C u0 p0 c0 {5,S} {9,D} {20,S} -8 C u0 p0 c0 {6,D} {9,S} {18,S} -9 C u0 p0 c0 {7,D} {8,S} {19,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {6,S} -18 H u0 p0 c0 {8,S} -19 H u0 p0 c0 {9,S} -20 H u0 p0 c0 {7,S} +C7H8-11 +1 C u0 p0 c0 {2,S} {4,S} {8,S} {9,S} +2 C u0 p0 c0 {1,S} {3,S} {6,D} +3 C u0 p0 c0 {2,S} {5,S} {7,D} +4 *1 C u0 p0 c0 {1,S} {5,D} {10,S} +5 *2 C u0 p0 c0 {3,S} {4,D} {11,S} +6 C u0 p0 c0 {2,D} {14,S} {15,S} +7 C u0 p0 c0 {3,D} {12,S} {13,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {4,S} +11 H u0 p0 c0 {5,S} +12 H u0 p0 c0 {7,S} +13 H u0 p0 c0 {7,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {6,S} -C9H11-13 +C7H9-21 multiplicity 2 -1 C u0 p0 c0 {3,S} {4,S} {5,S} {10,S} -2 *1 C u0 p0 c0 {3,S} {5,S} {6,S} {11,S} -3 C u0 p0 c0 {1,S} {2,S} {12,S} {13,S} -4 C u0 p0 c0 {1,S} {14,S} {15,S} {16,S} -5 C u0 p0 c0 {1,S} {2,S} {7,D} -6 *2 C u1 p0 c0 {2,S} {8,S} {17,S} -7 C u0 p0 c0 {5,D} {9,S} {20,S} -8 C u0 p0 c0 {6,S} {9,D} {18,S} -9 C u0 p0 c0 {7,S} {8,D} {19,S} +1 C u0 p0 c0 {7,S} {8,S} {9,S} {10,S} +2 *3 C u0 p0 c0 {3,S} {4,S} {5,D} +3 C u0 p0 c0 {2,S} {6,D} {11,S} +4 *1 C u0 p0 c0 {2,S} {7,D} {12,S} +5 C u0 p0 c0 {2,D} {15,S} {16,S} +6 C u0 p0 c0 {3,D} {13,S} {14,S} +7 *2 C u1 p0 c0 {1,S} {4,D} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {1,S} 10 H u0 p0 c0 {1,S} -11 *3 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {6,S} -18 H u0 p0 c0 {8,S} -19 H u0 p0 c0 {9,S} -20 H u0 p0 c0 {7,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {6,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {5,S} -C9H11-14 +C7H9-22 multiplicity 2 -1 *1 C u0 p0 c0 {3,S} {4,S} {5,S} {10,S} -2 C u0 p0 c0 {3,S} {11,S} {12,S} {13,S} -3 C u0 p0 c0 {1,S} {2,S} {9,D} -4 *2 C u1 p0 c0 {1,S} {7,S} {15,S} -5 C u0 p0 c0 {1,S} {6,D} {14,S} -6 C u0 p0 c0 {5,D} {8,S} {16,S} -7 C u0 p0 c0 {4,S} {8,D} {17,S} -8 C u0 p0 c0 {6,S} {7,D} {18,S} -9 C u0 p0 c0 {3,D} {19,S} {20,S} -10 *3 H u0 p0 c0 {1,S} +1 *1 C u0 p0 c0 {3,S} {4,S} {8,S} {9,S} +2 C u0 p0 c0 {3,S} {10,S} {11,S} {12,S} +3 *2 C u1 p0 c0 {1,S} {2,S} {5,S} +4 C u0 p0 c0 {1,S} {6,S} {7,D} +5 C u0 p0 c0 {3,S} {6,D} {14,S} +6 C u0 p0 c0 {4,S} {5,D} {13,S} +7 C u0 p0 c0 {4,D} {15,S} {16,S} +8 H u0 p0 c0 {1,S} +9 *3 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {2,S} 11 H u0 p0 c0 {2,S} 12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {6,S} 14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {6,S} -17 H u0 p0 c0 {7,S} -18 H u0 p0 c0 {8,S} -19 H u0 p0 c0 {9,S} -20 H u0 p0 c0 {9,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {7,S} -C9H9-16 -multiplicity 2 -1 C u0 p0 c0 {2,S} {8,S} {10,S} {11,S} -2 C u0 p0 c0 {1,S} {3,B} {4,B} -3 C u0 p0 c0 {2,B} {5,B} {12,S} -4 C u0 p0 c0 {2,B} {7,B} {16,S} -5 C u0 p0 c0 {3,B} {6,B} {13,S} -6 C u0 p0 c0 {5,B} {7,B} {14,S} -7 C u0 p0 c0 {4,B} {6,B} {15,S} -8 *1 C u0 p0 c0 {1,S} {9,D} {17,S} -9 *2 C u1 p0 c0 {8,D} {18,S} +C7H8-12 +1 C u0 p0 c0 {2,S} {8,S} {9,S} {10,S} +2 *2 C u0 p0 c0 {1,S} {4,D} {5,S} +3 C u0 p0 c0 {4,S} {6,S} {7,D} +4 *1 C u0 p0 c0 {2,D} {3,S} {12,S} +5 C u0 p0 c0 {2,S} {6,D} {13,S} +6 C u0 p0 c0 {3,S} {5,D} {11,S} +7 C u0 p0 c0 {3,D} {14,S} {15,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {1,S} 10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {6,S} +12 H u0 p0 c0 {4,S} 13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {6,S} +14 H u0 p0 c0 {7,S} 15 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {4,S} -17 *3 H u0 p0 c0 {8,S} -18 H u0 p0 c0 {9,S} -C9H9-17 -multiplicity 2 -1 *3 C u0 p0 c0 {3,S} {10,S} {11,S} {12,S} -2 C u0 p0 c0 {3,S} {4,B} {5,B} -3 *1 C u0 p0 c0 {1,S} {2,S} {9,D} -4 C u0 p0 c0 {2,B} {6,B} {13,S} -5 C u0 p0 c0 {2,B} {8,B} {17,S} -6 C u0 p0 c0 {4,B} {7,B} {14,S} -7 C u0 p0 c0 {6,B} {8,B} {15,S} -8 C u0 p0 c0 {5,B} {7,B} {16,S} -9 *2 C u1 p0 c0 {3,D} {18,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {4,S} -14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {8,S} -17 H u0 p0 c0 {5,S} -18 H u0 p0 c0 {9,S} +C3H4-3 +1 *1 C u0 p0 c0 {3,D} {4,S} {5,S} +2 C u0 p0 c0 {3,D} {6,S} {7,S} +3 *2 C u0 p0 c0 {1,D} {2,D} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} -C9H9-14 +C6H9-5 multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {9,S} {10,S} {11,S} -2 C u0 p0 c0 {1,S} {3,B} {4,B} -3 C u0 p0 c0 {2,B} {5,B} {12,S} -4 C u0 p0 c0 {2,B} {6,B} {13,S} -5 C u0 p0 c0 {3,B} {7,B} {14,S} -6 C u0 p0 c0 {4,B} {7,B} {15,S} -7 C u0 p0 c0 {5,B} {6,B} {16,S} -8 C u0 p0 c0 {9,D} {17,S} {18,S} -9 *2 C u1 p0 c0 {1,S} {8,D} -10 H u0 p0 c0 {1,S} -11 *3 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {3,S} +1 *3 C u0 p0 c0 {2,S} {3,S} {7,S} {8,S} +2 *1 C u0 p0 c0 {1,S} {6,S} {9,S} {10,S} +3 C u0 p0 c0 {1,S} {4,D} {11,S} +4 C u0 p0 c0 {3,D} {12,S} {13,S} +5 C u0 p0 c0 {6,D} {14,S} {15,S} +6 *2 C u1 p0 c0 {2,S} {5,D} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {4,S} 13 H u0 p0 c0 {4,S} 14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {6,S} -16 H u0 p0 c0 {7,S} -17 H u0 p0 c0 {8,S} -18 H u0 p0 c0 {8,S} - -C9H9-15 -multiplicity 2 -1 C u0 p0 c0 {2,S} {9,S} {10,S} {11,S} -2 C u0 p0 c0 {1,S} {3,B} {4,B} -3 C u0 p0 c0 {2,B} {5,B} {12,S} -4 C u0 p0 c0 {2,B} {7,B} {16,S} -5 C u0 p0 c0 {3,B} {6,B} {13,S} -6 C u0 p0 c0 {5,B} {7,B} {14,S} -7 C u0 p0 c0 {4,B} {6,B} {15,S} -8 *1 C u0 p0 c0 {9,D} {17,S} {18,S} -9 *2 C u1 p0 c0 {1,S} {8,D} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {8,S} -18 *3 H u0 p0 c0 {8,S} +15 H u0 p0 c0 {5,S} -C9H9-12 +C7H11-5 multiplicity 2 -1 *1 C u0 p0 c0 {9,S} {10,S} {11,S} {12,S} -2 C u0 p0 c0 {3,B} {4,B} {8,S} -3 C u0 p0 c0 {2,B} {5,B} {13,S} -4 C u0 p0 c0 {2,B} {6,B} {14,S} -5 C u0 p0 c0 {3,B} {7,B} {15,S} -6 C u0 p0 c0 {4,B} {7,B} {16,S} -7 C u0 p0 c0 {5,B} {6,B} {17,S} -8 C u0 p0 c0 {2,S} {9,D} {18,S} -9 *2 C u1 p0 c0 {1,S} {8,D} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {1,S} -12 *3 H u0 p0 c0 {1,S} +1 *3 C u0 p0 c0 {2,S} {4,S} {8,S} {9,S} +2 *1 C u0 p0 c0 {1,S} {7,S} {10,S} {11,S} +3 C u0 p0 c0 {4,S} {12,S} {13,S} {14,S} +4 C u0 p0 c0 {1,S} {3,S} {5,D} +5 C u0 p0 c0 {4,D} {15,S} {16,S} +6 C u0 p0 c0 {7,D} {17,S} {18,S} +7 *2 C u1 p0 c0 {2,S} {6,D} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {3,S} 13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {3,S} 15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {6,S} -17 H u0 p0 c0 {7,S} -18 H u0 p0 c0 {8,S} +16 H u0 p0 c0 {5,S} +17 H u0 p0 c0 {6,S} +18 H u0 p0 c0 {6,S} -C9H9-13 +C5H7 multiplicity 2 -1 C u0 p0 c0 {2,S} {3,B} {4,B} -2 *2 C u1 p0 c0 {1,S} {8,S} {15,S} -3 C u0 p0 c0 {1,B} {5,B} {10,S} -4 C u0 p0 c0 {1,B} {6,B} {11,S} -5 C u0 p0 c0 {3,B} {7,B} {12,S} -6 C u0 p0 c0 {4,B} {7,B} {13,S} -7 C u0 p0 c0 {5,B} {6,B} {14,S} -8 *1 C u0 p0 c0 {2,S} {9,D} {16,S} -9 C u0 p0 c0 {8,D} {17,S} {18,S} -10 H u0 p0 c0 {3,S} +1 *3 C u0 p0 c0 {2,S} {3,S} {6,S} {7,S} +2 C u0 p0 c0 {1,S} {4,D} {8,S} +3 *1 C u0 p0 c0 {1,S} {5,D} {9,S} +4 C u0 p0 c0 {2,D} {10,S} {11,S} +5 *2 C u1 p0 c0 {3,D} {12,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {4,S} 11 H u0 p0 c0 {4,S} 12 H u0 p0 c0 {5,S} -13 H u0 p0 c0 {6,S} -14 H u0 p0 c0 {7,S} -15 H u0 p0 c0 {2,S} -16 *3 H u0 p0 c0 {8,S} -17 H u0 p0 c0 {9,S} -18 H u0 p0 c0 {9,S} -C9H9-10 +C5H7-2 multiplicity 2 -1 C u0 p0 c0 {9,S} {10,S} {11,S} {12,S} -2 C u0 p0 c0 {3,B} {4,B} {8,S} -3 C u0 p0 c0 {2,B} {5,B} {13,S} -4 C u0 p0 c0 {2,B} {7,B} {15,S} -5 C u0 p0 c0 {3,B} {6,B} {14,S} -6 C u0 p0 c0 {5,B} {7,B} {17,S} -7 C u0 p0 c0 {4,B} {6,B} {16,S} -8 *1 C u0 p0 c0 {2,S} {9,D} {18,S} -9 *2 C u1 p0 c0 {1,S} {8,D} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {7,S} -17 H u0 p0 c0 {6,S} -18 *3 H u0 p0 c0 {8,S} +1 C u0 p0 c0 {3,S} {4,S} {6,S} {7,S} +2 *1 C u0 p0 c0 {3,S} {5,S} {8,S} {9,S} +3 *2 C u1 p0 c0 {1,S} {2,S} {10,S} +4 C u0 p0 c0 {1,S} {5,D} {11,S} +5 C u0 p0 c0 {2,S} {4,D} {12,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} +9 *3 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {5,S} -C9H9-11 +C3H3 multiplicity 2 -1 C u0 p0 c0 {8,S} {10,S} {11,S} {12,S} -2 C u0 p0 c0 {3,B} {4,B} {9,S} -3 C u0 p0 c0 {2,B} {5,B} {13,S} -4 C u0 p0 c0 {2,B} {7,B} {15,S} -5 C u0 p0 c0 {3,B} {6,B} {14,S} -6 C u0 p0 c0 {5,B} {7,B} {17,S} -7 C u0 p0 c0 {4,B} {6,B} {16,S} -8 *1 C u0 p0 c0 {1,S} {9,D} {18,S} -9 *2 C u1 p0 c0 {2,S} {8,D} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {7,S} -17 H u0 p0 c0 {6,S} -18 *3 H u0 p0 c0 {8,S} +1 *3 C u1 p0 c0 {2,S} {4,S} {5,S} +2 C u0 p0 c0 {1,S} {3,T} +3 C u0 p0 c0 {2,T} {6,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {3,S} -C9H9-18 +C5H5-2 multiplicity 2 -1 *3 C u0 p0 c0 {8,S} {10,S} {11,S} {12,S} -2 C u0 p0 c0 {3,B} {4,B} {9,S} -3 C u0 p0 c0 {2,B} {5,B} {13,S} -4 C u0 p0 c0 {2,B} {7,B} {17,S} -5 C u0 p0 c0 {3,B} {6,B} {14,S} -6 C u0 p0 c0 {5,B} {7,B} {15,S} -7 C u0 p0 c0 {4,B} {6,B} {16,S} -8 *1 C u0 p0 c0 {1,S} {9,D} {18,S} -9 *2 C u1 p0 c0 {2,S} {8,D} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {6,S} -16 H u0 p0 c0 {7,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {8,S} +1 *3 C u0 p0 c0 {2,S} {3,S} {6,S} {7,S} +2 *1 C u0 p0 c0 {1,S} {4,D} {8,S} +3 C u0 p0 c0 {1,S} {5,T} +4 *2 C u1 p0 c0 {2,D} {9,S} +5 C u0 p0 c0 {3,T} {10,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {4,S} +10 H u0 p0 c0 {5,S} -C9H9-19 +C6H7 multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {10,S} -2 *3 C u0 p0 c0 {1,S} {8,S} {11,S} {12,S} -3 *2 C u1 p0 c0 {1,S} {5,S} {13,S} -4 C u0 p0 c0 {1,S} {6,D} {14,S} -5 C u0 p0 c0 {3,S} {7,D} {15,S} -6 C u0 p0 c0 {4,D} {7,S} {17,S} -7 C u0 p0 c0 {5,D} {6,S} {16,S} -8 C u0 p0 c0 {2,S} {9,T} -9 C u0 p0 c0 {8,T} {18,S} -10 H u0 p0 c0 {1,S} +1 *3 C u0 p0 c0 {3,S} {5,S} {7,S} {8,S} +2 C u0 p0 c0 {4,S} {9,S} {10,S} {11,S} +3 *1 C u0 p0 c0 {1,S} {4,D} {12,S} +4 *2 C u1 p0 c0 {2,S} {3,D} +5 C u0 p0 c0 {1,S} {6,T} +6 C u0 p0 c0 {5,T} {13,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} 11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {7,S} -17 H u0 p0 c0 {6,S} -18 H u0 p0 c0 {9,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {6,S} -C7H8-27 -1 C u0 p0 c0 {2,S} {8,S} {9,S} {10,S} -2 C u0 p0 c0 {1,S} {3,B} {4,B} -3 C u0 p0 c0 {2,B} {5,B} {11,S} -4 *2 C u0 p0 c0 {2,B} {7,B} {15,S} -5 C u0 p0 c0 {3,B} {6,B} {12,S} -6 C u0 p0 c0 {5,B} {7,B} {13,S} -7 *1 C u0 p0 c0 {4,B} {6,B} {14,S} +C3H4-4 +1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} +2 *1 C u0 p0 c0 {1,S} {3,T} +3 *2 C u0 p0 c0 {2,T} {7,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {3,S} + +C6H7-2 +multiplicity 2 +1 *3 C u0 p0 c0 {3,S} {4,S} {7,S} {8,S} +2 C u0 p0 c0 {3,S} {9,S} {10,S} {11,S} +3 *1 C u0 p0 c0 {1,S} {2,S} {5,D} +4 C u0 p0 c0 {1,S} {6,T} +5 *2 C u1 p0 c0 {3,D} {12,S} +6 C u0 p0 c0 {4,T} {13,S} +7 H u0 p0 c0 {1,S} 8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {3,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {2,S} 12 H u0 p0 c0 {5,S} 13 H u0 p0 c0 {6,S} -14 H u0 p0 c0 {7,S} -15 H u0 p0 c0 {4,S} -C7H8-29 -1 C u0 p0 c0 {2,S} {8,S} {9,S} {10,S} -2 C u0 p0 c0 {1,S} {3,B} {4,B} -3 C u0 p0 c0 {2,B} {5,B} {11,S} -4 C u0 p0 c0 {2,B} {7,B} {15,S} -5 *2 C u0 p0 c0 {3,B} {6,B} {12,S} -6 *1 C u0 p0 c0 {5,B} {7,B} {13,S} -7 C u0 p0 c0 {4,B} {6,B} {14,S} +C6H7-3 +multiplicity 2 +1 *1 C u0 p0 c0 {2,S} {4,S} {7,S} {8,S} +2 *3 C u0 p0 c0 {1,S} {5,S} {9,S} {10,S} +3 C u0 p0 c0 {4,D} {11,S} {12,S} +4 *2 C u1 p0 c0 {1,S} {3,D} +5 C u0 p0 c0 {2,S} {6,T} +6 C u0 p0 c0 {5,T} {13,S} +7 H u0 p0 c0 {1,S} 8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} 11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {5,S} +12 H u0 p0 c0 {3,S} 13 H u0 p0 c0 {6,S} -14 H u0 p0 c0 {7,S} -15 H u0 p0 c0 {4,S} -CH3 +C10H11 multiplicity 2 -1 *3 C u1 p0 c0 {2,S} {3,S} {4,S} -2 H u0 p0 c0 {1,S} -3 H u0 p0 c0 {1,S} -4 H u0 p0 c0 {1,S} +1 *1 C u0 p0 c0 {2,S} {4,S} {5,S} {11,S} +2 *3 C u0 p0 c0 {1,S} {6,S} {7,S} {12,S} +3 C u0 p0 c0 {4,S} {8,S} {13,S} {14,S} +4 *2 C u1 p0 c0 {1,S} {3,S} {15,S} +5 C u0 p0 c0 {1,S} {8,D} {17,S} +6 C u0 p0 c0 {2,S} {9,D} {18,S} +7 C u0 p0 c0 {2,S} {10,D} {19,S} +8 C u0 p0 c0 {3,S} {5,D} {16,S} +9 C u0 p0 c0 {6,D} {10,S} {20,S} +10 C u0 p0 c0 {7,D} {9,S} {21,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {8,S} +17 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {6,S} +19 H u0 p0 c0 {7,S} +20 H u0 p0 c0 {9,S} +21 H u0 p0 c0 {10,S} -C10H11-9 +C10H11-2 multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {4,S} {11,S} -2 *1 C u0 p0 c0 {1,S} {5,S} {6,S} {12,S} +1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {11,S} +2 *3 C u0 p0 c0 {1,S} {5,S} {6,S} {12,S} 3 C u0 p0 c0 {1,S} {7,S} {13,S} {14,S} -4 C u0 p0 c0 {1,S} {8,D} {15,S} -5 C u0 p0 c0 {2,S} {7,D} {17,S} -6 *2 C u1 p0 c0 {2,S} {9,S} {18,S} -7 C u0 p0 c0 {3,S} {5,D} {16,S} -8 C u0 p0 c0 {4,D} {10,S} {19,S} -9 C u0 p0 c0 {6,S} {10,D} {20,S} -10 C u0 p0 c0 {8,S} {9,D} {21,S} +4 *2 C u1 p0 c0 {1,S} {8,S} {16,S} +5 C u0 p0 c0 {2,S} {9,D} {17,S} +6 C u0 p0 c0 {2,S} {10,D} {18,S} +7 C u0 p0 c0 {3,S} {8,D} {15,S} +8 C u0 p0 c0 {4,S} {7,D} {19,S} +9 C u0 p0 c0 {5,D} {10,S} {20,S} +10 C u0 p0 c0 {6,D} {9,S} {21,S} 11 H u0 p0 c0 {1,S} -12 *3 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {2,S} 13 H u0 p0 c0 {3,S} 14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {4,S} 17 H u0 p0 c0 {5,S} 18 H u0 p0 c0 {6,S} 19 H u0 p0 c0 {8,S} 20 H u0 p0 c0 {9,S} 21 H u0 p0 c0 {10,S} -C10H11-8 -multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {4,S} {5,S} {11,S} -2 C u0 p0 c0 {1,S} {6,S} {12,S} {13,S} -3 C u0 p0 c0 {4,S} {7,S} {14,S} {15,S} -4 C u0 p0 c0 {1,S} {3,S} {8,D} -5 *2 C u1 p0 c0 {1,S} {9,S} {18,S} -6 C u0 p0 c0 {2,S} {10,D} {16,S} -7 C u0 p0 c0 {3,S} {9,D} {17,S} -8 C u0 p0 c0 {4,D} {10,S} {19,S} -9 C u0 p0 c0 {5,S} {7,D} {21,S} -10 C u0 p0 c0 {6,D} {8,S} {20,S} -11 *3 H u0 p0 c0 {1,S} +C10H10 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {11,S} +2 C u0 p0 c0 {1,S} {5,S} {12,S} {13,S} +3 *1 C u0 p0 c0 {1,S} {6,D} {7,S} +4 C u0 p0 c0 {1,S} {9,D} {14,S} +5 C u0 p0 c0 {2,S} {8,D} {15,S} +6 *2 C u0 p0 c0 {3,D} {8,S} {16,S} +7 C u0 p0 c0 {3,S} {10,D} {17,S} +8 C u0 p0 c0 {5,D} {6,S} {18,S} +9 C u0 p0 c0 {4,D} {10,S} {19,S} +10 C u0 p0 c0 {7,D} {9,S} {20,S} +11 H u0 p0 c0 {1,S} 12 H u0 p0 c0 {2,S} 13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {5,S} 16 H u0 p0 c0 {6,S} 17 H u0 p0 c0 {7,S} -18 H u0 p0 c0 {5,S} -19 H u0 p0 c0 {8,S} +18 H u0 p0 c0 {8,S} +19 H u0 p0 c0 {9,S} 20 H u0 p0 c0 {10,S} -21 H u0 p0 c0 {9,S} C10H11-3 multiplicity 2 @@ -1630,30 +1627,64 @@ multiplicity 2 20 H u0 p0 c0 {9,S} 21 H u0 p0 c0 {10,S} -C10H11-2 +C10H11-4 multiplicity 2 1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {11,S} -2 *3 C u0 p0 c0 {1,S} {5,S} {6,S} {12,S} -3 C u0 p0 c0 {1,S} {7,S} {13,S} {14,S} -4 *2 C u1 p0 c0 {1,S} {8,S} {16,S} -5 C u0 p0 c0 {2,S} {9,D} {17,S} -6 C u0 p0 c0 {2,S} {10,D} {18,S} -7 C u0 p0 c0 {3,S} {8,D} {15,S} -8 C u0 p0 c0 {4,S} {7,D} {19,S} -9 C u0 p0 c0 {5,D} {10,S} {20,S} -10 C u0 p0 c0 {6,D} {9,S} {21,S} +2 *2 C u1 p0 c0 {1,S} {5,S} {12,S} +3 C u0 p0 c0 {1,S} {6,D} {13,S} +4 *3 C u0 p0 c0 {1,S} {7,D} {14,S} +5 C u0 p0 c0 {2,S} {8,D} {15,S} +6 C u0 p0 c0 {3,D} {8,S} {16,S} +7 C u0 p0 c0 {4,D} {9,S} {19,S} +8 C u0 p0 c0 {5,D} {6,S} {17,S} +9 C u0 p0 c0 {7,S} {10,D} {18,S} +10 C u0 p0 c0 {9,D} {20,S} {21,S} 11 H u0 p0 c0 {1,S} 12 H u0 p0 c0 {2,S} 13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {5,S} -18 H u0 p0 c0 {6,S} -19 H u0 p0 c0 {8,S} -20 H u0 p0 c0 {9,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {6,S} +17 H u0 p0 c0 {8,S} +18 H u0 p0 c0 {9,S} +19 H u0 p0 c0 {7,S} +20 H u0 p0 c0 {10,S} 21 H u0 p0 c0 {10,S} +C4H5-2 +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,D} {5,S} +2 C u0 p0 c0 {1,S} {4,D} {6,S} +3 C u0 p0 c0 {1,D} {7,S} {8,S} +4 *3 C u1 p0 c0 {2,D} {9,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {3,S} +8 H u0 p0 c0 {3,S} +9 H u0 p0 c0 {4,S} + +C10H10-2 +1 *1 C u0 p0 c0 {2,B} {3,B} {4,S} +2 *2 C u0 p0 c0 {1,B} {5,B} {11,S} +3 C u0 p0 c0 {1,B} {7,B} {12,S} +4 C u0 p0 c0 {1,S} {8,D} {13,S} +5 C u0 p0 c0 {2,B} {6,B} {14,S} +6 C u0 p0 c0 {5,B} {7,B} {16,S} +7 C u0 p0 c0 {3,B} {6,B} {15,S} +8 C u0 p0 c0 {4,D} {9,S} {17,S} +9 C u0 p0 c0 {8,S} {10,D} {18,S} +10 C u0 p0 c0 {9,D} {19,S} {20,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {6,S} +17 H u0 p0 c0 {8,S} +18 H u0 p0 c0 {9,S} +19 H u0 p0 c0 {10,S} +20 H u0 p0 c0 {10,S} + C10H11-5 multiplicity 2 1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {11,S} @@ -1678,66 +1709,199 @@ multiplicity 2 20 H u0 p0 c0 {10,S} 21 H u0 p0 c0 {10,S} -C10H11-4 +C9H8 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {10,S} +2 C u0 p0 c0 {1,S} {5,D} {6,S} +3 C u0 p0 c0 {1,S} {7,D} {11,S} +4 *1 C u0 p0 c0 {1,S} {8,D} {12,S} +5 C u0 p0 c0 {2,D} {7,S} {13,S} +6 C u0 p0 c0 {2,S} {9,D} {15,S} +7 C u0 p0 c0 {3,D} {5,S} {14,S} +8 *2 C u0 p0 c0 {4,D} {9,S} {17,S} +9 C u0 p0 c0 {6,D} {8,S} {16,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {6,S} +16 H u0 p0 c0 {9,S} +17 H u0 p0 c0 {8,S} + +C10H11-6 multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {11,S} -2 *2 C u1 p0 c0 {1,S} {5,S} {12,S} -3 C u0 p0 c0 {1,S} {6,D} {13,S} -4 *3 C u0 p0 c0 {1,S} {7,D} {14,S} -5 C u0 p0 c0 {2,S} {8,D} {15,S} -6 C u0 p0 c0 {3,D} {8,S} {16,S} -7 C u0 p0 c0 {4,D} {9,S} {19,S} -8 C u0 p0 c0 {5,D} {6,S} {17,S} -9 C u0 p0 c0 {7,S} {10,D} {18,S} -10 C u0 p0 c0 {9,D} {20,S} {21,S} +1 *1 C u0 p0 c0 {2,S} {3,S} {5,S} {11,S} +2 C u0 p0 c0 {1,S} {4,S} {6,S} {12,S} +3 *3 C u0 p0 c0 {1,S} {13,S} {14,S} {15,S} +4 C u0 p0 c0 {2,S} {7,D} {8,S} +5 *2 C u1 p0 c0 {1,S} {10,S} {17,S} +6 C u0 p0 c0 {2,S} {9,D} {16,S} +7 C u0 p0 c0 {4,D} {9,S} {18,S} +8 C u0 p0 c0 {4,S} {10,D} {20,S} +9 C u0 p0 c0 {6,D} {7,S} {19,S} +10 C u0 p0 c0 {5,S} {8,D} {21,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {6,S} +17 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {7,S} +19 H u0 p0 c0 {9,S} +20 H u0 p0 c0 {8,S} +21 H u0 p0 c0 {10,S} + +C10H11-7 +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {11,S} +2 *1 C u0 p0 c0 {1,S} {5,S} {6,S} {12,S} +3 C u0 p0 c0 {1,S} {7,S} {13,S} {14,S} +4 C u0 p0 c0 {1,S} {8,D} {16,S} +5 *2 C u1 p0 c0 {2,S} {8,S} {18,S} +6 C u0 p0 c0 {2,S} {10,D} {17,S} +7 C u0 p0 c0 {3,S} {9,D} {15,S} +8 C u0 p0 c0 {4,D} {5,S} {21,S} +9 C u0 p0 c0 {7,D} {10,S} {19,S} +10 C u0 p0 c0 {6,D} {9,S} {20,S} +11 H u0 p0 c0 {1,S} +12 *3 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {6,S} +18 H u0 p0 c0 {5,S} +19 H u0 p0 c0 {9,S} +20 H u0 p0 c0 {10,S} +21 H u0 p0 c0 {8,S} + +C10H10-3 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {11,S} +2 C u0 p0 c0 {1,S} {5,S} {12,S} {13,S} +3 *1 C u0 p0 c0 {1,S} {6,S} {7,D} +4 C u0 p0 c0 {1,S} {9,D} {15,S} +5 C u0 p0 c0 {2,S} {8,D} {14,S} +6 C u0 p0 c0 {3,S} {10,D} {18,S} +7 *2 C u0 p0 c0 {3,D} {9,S} {19,S} +8 C u0 p0 c0 {5,D} {10,S} {16,S} +9 C u0 p0 c0 {4,D} {7,S} {20,S} +10 C u0 p0 c0 {6,D} {8,S} {17,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {8,S} +17 H u0 p0 c0 {10,S} +18 H u0 p0 c0 {6,S} +19 H u0 p0 c0 {7,S} +20 H u0 p0 c0 {9,S} + +C10H10-4 +1 C u0 p0 c0 {3,S} {5,S} {11,S} {12,S} +2 C u0 p0 c0 {4,S} {6,S} {13,S} {14,S} +3 *1 C u0 p0 c0 {1,S} {4,S} {7,D} +4 C u0 p0 c0 {2,S} {3,S} {8,D} +5 C u0 p0 c0 {1,S} {9,D} {15,S} +6 C u0 p0 c0 {2,S} {10,D} {16,S} +7 *2 C u0 p0 c0 {3,D} {10,S} {17,S} +8 C u0 p0 c0 {4,D} {9,S} {18,S} +9 C u0 p0 c0 {5,D} {8,S} {19,S} +10 C u0 p0 c0 {6,D} {7,S} {20,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {6,S} +17 H u0 p0 c0 {7,S} +18 H u0 p0 c0 {8,S} +19 H u0 p0 c0 {9,S} +20 H u0 p0 c0 {10,S} + +C10H11-8 +multiplicity 2 +1 *1 C u0 p0 c0 {2,S} {4,S} {5,S} {11,S} +2 C u0 p0 c0 {1,S} {6,S} {12,S} {13,S} +3 C u0 p0 c0 {4,S} {7,S} {14,S} {15,S} +4 C u0 p0 c0 {1,S} {3,S} {8,D} +5 *2 C u1 p0 c0 {1,S} {9,S} {18,S} +6 C u0 p0 c0 {2,S} {10,D} {16,S} +7 C u0 p0 c0 {3,S} {9,D} {17,S} +8 C u0 p0 c0 {4,D} {10,S} {19,S} +9 C u0 p0 c0 {5,S} {7,D} {21,S} +10 C u0 p0 c0 {6,D} {8,S} {20,S} +11 *3 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {6,S} +17 H u0 p0 c0 {7,S} +18 H u0 p0 c0 {5,S} +19 H u0 p0 c0 {8,S} +20 H u0 p0 c0 {10,S} +21 H u0 p0 c0 {9,S} + +C10H10-5 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {11,S} +2 C u0 p0 c0 {1,S} {5,S} {12,S} {13,S} +3 *1 C u0 p0 c0 {1,S} {6,S} {7,D} +4 C u0 p0 c0 {1,S} {8,D} {14,S} +5 C u0 p0 c0 {2,S} {6,D} {15,S} +6 C u0 p0 c0 {3,S} {5,D} {16,S} +7 *2 C u0 p0 c0 {3,D} {9,S} {17,S} +8 C u0 p0 c0 {4,D} {10,S} {18,S} +9 C u0 p0 c0 {7,S} {10,D} {19,S} +10 C u0 p0 c0 {8,S} {9,D} {20,S} 11 H u0 p0 c0 {1,S} 12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {2,S} 14 H u0 p0 c0 {4,S} 15 H u0 p0 c0 {5,S} 16 H u0 p0 c0 {6,S} -17 H u0 p0 c0 {8,S} -18 H u0 p0 c0 {9,S} -19 H u0 p0 c0 {7,S} +17 H u0 p0 c0 {7,S} +18 H u0 p0 c0 {8,S} +19 H u0 p0 c0 {9,S} 20 H u0 p0 c0 {10,S} -21 H u0 p0 c0 {10,S} -C10H11-7 +C10H11-9 multiplicity 2 1 C u0 p0 c0 {2,S} {3,S} {4,S} {11,S} 2 *1 C u0 p0 c0 {1,S} {5,S} {6,S} {12,S} 3 C u0 p0 c0 {1,S} {7,S} {13,S} {14,S} -4 C u0 p0 c0 {1,S} {8,D} {16,S} -5 *2 C u1 p0 c0 {2,S} {8,S} {18,S} -6 C u0 p0 c0 {2,S} {10,D} {17,S} -7 C u0 p0 c0 {3,S} {9,D} {15,S} -8 C u0 p0 c0 {4,D} {5,S} {21,S} -9 C u0 p0 c0 {7,D} {10,S} {19,S} -10 C u0 p0 c0 {6,D} {9,S} {20,S} +4 C u0 p0 c0 {1,S} {8,D} {15,S} +5 C u0 p0 c0 {2,S} {7,D} {17,S} +6 *2 C u1 p0 c0 {2,S} {9,S} {18,S} +7 C u0 p0 c0 {3,S} {5,D} {16,S} +8 C u0 p0 c0 {4,D} {10,S} {19,S} +9 C u0 p0 c0 {6,S} {10,D} {20,S} +10 C u0 p0 c0 {8,S} {9,D} {21,S} 11 H u0 p0 c0 {1,S} 12 *3 H u0 p0 c0 {2,S} 13 H u0 p0 c0 {3,S} 14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {6,S} -18 H u0 p0 c0 {5,S} -19 H u0 p0 c0 {9,S} -20 H u0 p0 c0 {10,S} -21 H u0 p0 c0 {8,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {7,S} +17 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {6,S} +19 H u0 p0 c0 {8,S} +20 H u0 p0 c0 {9,S} +21 H u0 p0 c0 {10,S} -C10H11-6 +C10H11-10 multiplicity 2 1 *1 C u0 p0 c0 {2,S} {3,S} {5,S} {11,S} 2 C u0 p0 c0 {1,S} {4,S} {6,S} {12,S} 3 *3 C u0 p0 c0 {1,S} {13,S} {14,S} {15,S} 4 C u0 p0 c0 {2,S} {7,D} {8,S} -5 *2 C u1 p0 c0 {1,S} {10,S} {17,S} +5 *2 C u1 p0 c0 {1,S} {7,S} {17,S} 6 C u0 p0 c0 {2,S} {9,D} {16,S} -7 C u0 p0 c0 {4,D} {9,S} {18,S} +7 C u0 p0 c0 {4,D} {5,S} {21,S} 8 C u0 p0 c0 {4,S} {10,D} {20,S} -9 C u0 p0 c0 {6,D} {7,S} {19,S} -10 C u0 p0 c0 {5,S} {8,D} {21,S} +9 C u0 p0 c0 {6,D} {10,S} {19,S} +10 C u0 p0 c0 {8,D} {9,S} {18,S} 11 H u0 p0 c0 {1,S} 12 H u0 p0 c0 {2,S} 13 H u0 p0 c0 {3,S} @@ -1745,178 +1909,51 @@ multiplicity 2 15 H u0 p0 c0 {3,S} 16 H u0 p0 c0 {6,S} 17 H u0 p0 c0 {5,S} -18 H u0 p0 c0 {7,S} +18 H u0 p0 c0 {10,S} 19 H u0 p0 c0 {9,S} 20 H u0 p0 c0 {8,S} -21 H u0 p0 c0 {10,S} - -C12H18 -1 C u0 p0 c0 {2,S} {4,S} {15,S} {16,S} -2 C u0 p0 c0 {1,S} {3,S} {17,S} {18,S} -3 C u0 p0 c0 {2,S} {5,S} {19,S} {20,S} -4 C u0 p0 c0 {1,S} {6,S} {13,S} {14,S} -5 C u0 p0 c0 {3,S} {7,S} {21,S} {22,S} -6 C u0 p0 c0 {4,S} {23,S} {24,S} {25,S} -7 *1 C u0 p0 c0 {5,S} {8,B} {9,B} -8 *2 C u0 p0 c0 {7,B} {10,B} {26,S} -9 C u0 p0 c0 {7,B} {12,B} {30,S} -10 C u0 p0 c0 {8,B} {11,B} {27,S} -11 C u0 p0 c0 {10,B} {12,B} {28,S} -12 C u0 p0 c0 {9,B} {11,B} {29,S} -13 H u0 p0 c0 {4,S} -14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {1,S} -16 H u0 p0 c0 {1,S} -17 H u0 p0 c0 {2,S} -18 H u0 p0 c0 {2,S} -19 H u0 p0 c0 {3,S} -20 H u0 p0 c0 {3,S} -21 H u0 p0 c0 {5,S} -22 H u0 p0 c0 {5,S} -23 H u0 p0 c0 {6,S} -24 H u0 p0 c0 {6,S} -25 H u0 p0 c0 {6,S} -26 H u0 p0 c0 {8,S} -27 H u0 p0 c0 {10,S} -28 H u0 p0 c0 {11,S} -29 H u0 p0 c0 {12,S} -30 H u0 p0 c0 {9,S} +21 H u0 p0 c0 {7,S} -C9H10-7 -1 C u0 p0 c0 {3,S} {10,S} {11,S} {12,S} -2 C u0 p0 c0 {4,S} {5,B} {6,B} -3 *1 C u0 p0 c0 {1,S} {4,D} {13,S} -4 *2 C u0 p0 c0 {2,S} {3,D} {17,S} -5 C u0 p0 c0 {2,B} {7,B} {14,S} -6 C u0 p0 c0 {2,B} {9,B} {16,S} -7 C u0 p0 c0 {5,B} {8,B} {15,S} -8 C u0 p0 c0 {7,B} {9,B} {18,S} -9 C u0 p0 c0 {6,B} {8,B} {19,S} +C9H8-2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {10,S} +2 C u0 p0 c0 {1,S} {5,S} {6,D} +3 C u0 p0 c0 {1,S} {7,D} {11,S} +4 *1 C u0 p0 c0 {1,S} {8,D} {12,S} +5 C u0 p0 c0 {2,S} {9,D} {15,S} +6 C u0 p0 c0 {2,D} {8,S} {16,S} +7 C u0 p0 c0 {3,D} {9,S} {14,S} +8 *2 C u0 p0 c0 {4,D} {6,S} {17,S} +9 C u0 p0 c0 {5,D} {7,S} {13,S} 10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {7,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {9,S} +14 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {5,S} 16 H u0 p0 c0 {6,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {8,S} -19 H u0 p0 c0 {9,S} - -C9H10-6 -1 C u0 p0 c0 {2,S} {3,S} {10,S} {11,S} -2 C u0 p0 c0 {1,S} {4,B} {5,B} -3 C u0 p0 c0 {1,S} {9,D} {12,S} -4 *1 C u0 p0 c0 {2,B} {6,B} {13,S} -5 C u0 p0 c0 {2,B} {7,B} {14,S} -6 *2 C u0 p0 c0 {4,B} {8,B} {15,S} -7 C u0 p0 c0 {5,B} {8,B} {16,S} -8 C u0 p0 c0 {6,B} {7,B} {17,S} -9 C u0 p0 c0 {3,D} {18,S} {19,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {4,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {6,S} -16 H u0 p0 c0 {7,S} -17 H u0 p0 c0 {8,S} -18 H u0 p0 c0 {9,S} -19 H u0 p0 c0 {9,S} - -C4H5-11 -multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {3,S} {5,S} {6,S} -2 *2 C u1 p0 c0 {1,S} {7,S} {8,S} -3 C u0 p0 c0 {1,S} {4,T} -4 C u0 p0 c0 {3,T} {9,S} -5 H u0 p0 c0 {1,S} -6 *3 H u0 p0 c0 {1,S} -7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {4,S} - -C9H10-9 -1 C u0 p0 c0 {2,S} {10,S} {11,S} {12,S} -2 C u0 p0 c0 {1,S} {3,S} {9,D} -3 *1 C u0 p0 c0 {2,S} {4,B} {5,B} -4 C u0 p0 c0 {3,B} {6,B} {13,S} -5 *2 C u0 p0 c0 {3,B} {7,B} {14,S} -6 C u0 p0 c0 {4,B} {8,B} {15,S} -7 C u0 p0 c0 {5,B} {8,B} {16,S} -8 C u0 p0 c0 {6,B} {7,B} {17,S} -9 C u0 p0 c0 {2,D} {18,S} {19,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {4,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {6,S} -16 H u0 p0 c0 {7,S} 17 H u0 p0 c0 {8,S} -18 H u0 p0 c0 {9,S} -19 H u0 p0 c0 {9,S} -C10H11-19 -multiplicity 2 -1 *1 C u0 p0 c0 {3,S} {4,S} {6,S} {11,S} -2 C u0 p0 c0 {5,S} {6,S} {12,S} {13,S} -3 *3 C u0 p0 c0 {1,S} {14,S} {15,S} {16,S} -4 C u0 p0 c0 {1,S} {5,B} {8,B} -5 C u0 p0 c0 {2,S} {4,B} {7,B} -6 *2 C u1 p0 c0 {1,S} {2,S} {17,S} -7 C u0 p0 c0 {5,B} {10,B} {21,S} -8 C u0 p0 c0 {4,B} {9,B} {18,S} -9 C u0 p0 c0 {8,B} {10,B} {19,S} -10 C u0 p0 c0 {7,B} {9,B} {20,S} +C10H10-6 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {11,S} +2 C u0 p0 c0 {1,S} {5,S} {12,S} {13,S} +3 C u0 p0 c0 {1,S} {6,S} {7,D} +4 *1 C u0 p0 c0 {1,S} {8,D} {14,S} +5 C u0 p0 c0 {2,S} {6,D} {15,S} +6 C u0 p0 c0 {3,S} {5,D} {16,S} +7 C u0 p0 c0 {3,D} {9,S} {17,S} +8 *2 C u0 p0 c0 {4,D} {10,S} {18,S} +9 C u0 p0 c0 {7,S} {10,D} {19,S} +10 C u0 p0 c0 {8,S} {9,D} {20,S} 11 H u0 p0 c0 {1,S} 12 H u0 p0 c0 {2,S} 13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {6,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {6,S} +17 H u0 p0 c0 {7,S} 18 H u0 p0 c0 {8,S} 19 H u0 p0 c0 {9,S} 20 H u0 p0 c0 {10,S} -21 H u0 p0 c0 {7,S} - -C6H7-8 -multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {3,S} {7,S} {8,S} -2 *2 C u1 p0 c0 {1,S} {5,S} {10,S} -3 C u0 p0 c0 {1,S} {4,D} {9,S} -4 C u0 p0 c0 {3,D} {6,S} {11,S} -5 C u0 p0 c0 {2,S} {6,D} {12,S} -6 C u0 p0 c0 {4,S} {5,D} {13,S} -7 H u0 p0 c0 {1,S} -8 *3 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {3,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {5,S} -13 H u0 p0 c0 {6,S} - -C9H10-8 -1 C u0 p0 c0 {2,S} {3,S} {4,S} {10,S} -2 C u0 p0 c0 {1,S} {5,S} {11,S} {12,S} -3 C u0 p0 c0 {1,S} {13,S} {14,S} {15,S} -4 C u0 p0 c0 {1,S} {5,B} {7,B} -5 *1 C u0 p0 c0 {2,S} {4,B} {6,B} -6 *2 C u0 p0 c0 {5,B} {8,B} {17,S} -7 C u0 p0 c0 {4,B} {9,B} {19,S} -8 C u0 p0 c0 {6,B} {9,B} {16,S} -9 C u0 p0 c0 {7,B} {8,B} {18,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {8,S} -17 H u0 p0 c0 {6,S} -18 H u0 p0 c0 {9,S} -19 H u0 p0 c0 {7,S} C10H11-11 multiplicity 2 @@ -1942,77 +1979,119 @@ multiplicity 2 20 H u0 p0 c0 {10,S} 21 H u0 p0 c0 {9,S} -C10H11-10 +C10H10-7 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {11,S} +2 C u0 p0 c0 {1,S} {5,S} {12,S} {13,S} +3 C u0 p0 c0 {1,S} {6,D} {7,S} +4 *1 C u0 p0 c0 {1,S} {8,D} {14,S} +5 C u0 p0 c0 {2,S} {9,D} {15,S} +6 C u0 p0 c0 {3,D} {8,S} {16,S} +7 C u0 p0 c0 {3,S} {10,D} {17,S} +8 *2 C u0 p0 c0 {4,D} {6,S} {18,S} +9 C u0 p0 c0 {5,D} {10,S} {19,S} +10 C u0 p0 c0 {7,D} {9,S} {20,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {6,S} +17 H u0 p0 c0 {7,S} +18 H u0 p0 c0 {8,S} +19 H u0 p0 c0 {9,S} +20 H u0 p0 c0 {10,S} + +C10H11-12 multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {3,S} {5,S} {11,S} -2 C u0 p0 c0 {1,S} {4,S} {6,S} {12,S} -3 *3 C u0 p0 c0 {1,S} {13,S} {14,S} {15,S} -4 C u0 p0 c0 {2,S} {7,D} {8,S} -5 *2 C u1 p0 c0 {1,S} {7,S} {17,S} +1 C u0 p0 c0 {2,S} {3,S} {4,S} {11,S} +2 C u0 p0 c0 {1,S} {6,S} {12,S} {13,S} +3 *1 C u0 p0 c0 {1,S} {5,S} {14,S} {15,S} +4 C u0 p0 c0 {1,S} {7,D} {8,S} +5 *2 C u1 p0 c0 {3,S} {7,S} {17,S} 6 C u0 p0 c0 {2,S} {9,D} {16,S} -7 C u0 p0 c0 {4,D} {5,S} {21,S} -8 C u0 p0 c0 {4,S} {10,D} {20,S} -9 C u0 p0 c0 {6,D} {10,S} {19,S} -10 C u0 p0 c0 {8,D} {9,S} {18,S} +7 C u0 p0 c0 {4,D} {5,S} {18,S} +8 C u0 p0 c0 {4,S} {10,D} {19,S} +9 C u0 p0 c0 {6,D} {10,S} {20,S} +10 C u0 p0 c0 {8,D} {9,S} {21,S} 11 H u0 p0 c0 {1,S} 12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {2,S} 14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {3,S} +15 *3 H u0 p0 c0 {3,S} 16 H u0 p0 c0 {6,S} 17 H u0 p0 c0 {5,S} -18 H u0 p0 c0 {10,S} -19 H u0 p0 c0 {9,S} -20 H u0 p0 c0 {8,S} -21 H u0 p0 c0 {7,S} +18 H u0 p0 c0 {7,S} +19 H u0 p0 c0 {8,S} +20 H u0 p0 c0 {9,S} +21 H u0 p0 c0 {10,S} -C6H7-3 -multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {4,S} {7,S} {8,S} -2 *3 C u0 p0 c0 {1,S} {5,S} {9,S} {10,S} -3 C u0 p0 c0 {4,D} {11,S} {12,S} -4 *2 C u1 p0 c0 {1,S} {3,D} -5 C u0 p0 c0 {2,S} {6,T} -6 C u0 p0 c0 {5,T} {13,S} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {6,S} +C10H10-8 +1 C u0 p0 c0 {3,S} {5,S} {11,S} {12,S} +2 C u0 p0 c0 {3,S} {6,S} {13,S} {14,S} +3 *1 C u0 p0 c0 {1,S} {2,S} {4,D} +4 *2 C u0 p0 c0 {3,D} {7,S} {8,S} +5 C u0 p0 c0 {1,S} {7,D} {15,S} +6 C u0 p0 c0 {2,S} {9,D} {16,S} +7 C u0 p0 c0 {4,S} {5,D} {17,S} +8 C u0 p0 c0 {4,S} {10,D} {18,S} +9 C u0 p0 c0 {6,D} {10,S} {19,S} +10 C u0 p0 c0 {8,D} {9,S} {20,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {6,S} +17 H u0 p0 c0 {7,S} +18 H u0 p0 c0 {8,S} +19 H u0 p0 c0 {9,S} +20 H u0 p0 c0 {10,S} -C6H7-2 +C10H11-13 multiplicity 2 -1 *3 C u0 p0 c0 {3,S} {4,S} {7,S} {8,S} -2 C u0 p0 c0 {3,S} {9,S} {10,S} {11,S} -3 *1 C u0 p0 c0 {1,S} {2,S} {5,D} -4 C u0 p0 c0 {1,S} {6,T} -5 *2 C u1 p0 c0 {3,D} {12,S} -6 C u0 p0 c0 {4,T} {13,S} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {5,S} -13 H u0 p0 c0 {6,S} +1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {11,S} +2 C u0 p0 c0 {1,S} {5,S} {12,S} {13,S} +3 C u0 p0 c0 {1,S} {6,S} {14,S} {15,S} +4 *2 C u1 p0 c0 {1,S} {7,S} {8,S} +5 C u0 p0 c0 {2,S} {7,D} {16,S} +6 C u0 p0 c0 {3,S} {9,D} {17,S} +7 C u0 p0 c0 {4,S} {5,D} {18,S} +8 C u0 p0 c0 {4,S} {10,D} {19,S} +9 C u0 p0 c0 {6,D} {10,S} {20,S} +10 C u0 p0 c0 {8,D} {9,S} {21,S} +11 *3 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {5,S} +17 H u0 p0 c0 {6,S} +18 H u0 p0 c0 {7,S} +19 H u0 p0 c0 {8,S} +20 H u0 p0 c0 {9,S} +21 H u0 p0 c0 {10,S} -C6H7-5 -multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {3,S} {6,S} {7,S} -2 C u0 p0 c0 {1,S} {4,D} {8,S} -3 C u0 p0 c0 {1,S} {5,D} {9,S} -4 C u0 p0 c0 {2,D} {5,S} {10,S} -5 C u0 p0 c0 {3,D} {4,S} {11,S} -6 *2 C u1 p0 c0 {1,S} {12,S} {13,S} -7 *3 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {3,S} -10 H u0 p0 c0 {4,S} -11 H u0 p0 c0 {5,S} -12 H u0 p0 c0 {6,S} -13 H u0 p0 c0 {6,S} +C10H10-9 +1 C u0 p0 c0 {3,S} {5,S} {11,S} {12,S} +2 C u0 p0 c0 {4,S} {6,S} {13,S} {14,S} +3 *1 C u0 p0 c0 {1,S} {4,B} {7,B} +4 C u0 p0 c0 {2,S} {3,B} {8,B} +5 C u0 p0 c0 {1,S} {6,D} {15,S} +6 C u0 p0 c0 {2,S} {5,D} {16,S} +7 *2 C u0 p0 c0 {3,B} {10,B} {17,S} +8 C u0 p0 c0 {4,B} {9,B} {18,S} +9 C u0 p0 c0 {8,B} {10,B} {19,S} +10 C u0 p0 c0 {7,B} {9,B} {20,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {6,S} +17 H u0 p0 c0 {7,S} +18 H u0 p0 c0 {8,S} +19 H u0 p0 c0 {9,S} +20 H u0 p0 c0 {10,S} C10H11-14 multiplicity 2 @@ -2038,16 +2117,32 @@ multiplicity 2 20 H u0 p0 c0 {10,S} 21 H u0 p0 c0 {9,S} -C6H7-7 +C6H7-4 multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {3,S} {7,S} {8,S} -2 C u0 p0 c0 {1,S} {4,S} {6,D} -3 *2 C u1 p0 c0 {1,S} {5,S} {9,S} -4 C u0 p0 c0 {2,S} {5,D} {10,S} -5 C u0 p0 c0 {3,S} {4,D} {11,S} -6 C u0 p0 c0 {2,D} {12,S} {13,S} +1 *1 C u0 p0 c0 {2,S} {7,S} {8,S} {9,S} +2 *2 C u1 p0 c0 {1,S} {3,S} {4,S} +3 C u0 p0 c0 {2,S} {5,D} {10,S} +4 C u0 p0 c0 {2,S} {6,D} {11,S} +5 C u0 p0 c0 {3,D} {6,S} {12,S} +6 C u0 p0 c0 {4,D} {5,S} {13,S} 7 H u0 p0 c0 {1,S} -8 *3 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {1,S} +9 *3 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {5,S} +13 H u0 p0 c0 {6,S} + +C6H7-5 +multiplicity 2 +1 *1 C u0 p0 c0 {2,S} {3,S} {6,S} {7,S} +2 C u0 p0 c0 {1,S} {4,D} {8,S} +3 C u0 p0 c0 {1,S} {5,D} {9,S} +4 C u0 p0 c0 {2,D} {5,S} {10,S} +5 C u0 p0 c0 {3,D} {4,S} {11,S} +6 *2 C u1 p0 c0 {1,S} {12,S} {13,S} +7 *3 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} 9 H u0 p0 c0 {3,S} 10 H u0 p0 c0 {4,S} 11 H u0 p0 c0 {5,S} @@ -2070,85 +2165,205 @@ multiplicity 2 12 H u0 p0 c0 {6,S} 13 H u0 p0 c0 {6,S} -C7H6 -1 *2 C u0 p0 c0 {2,S} {3,S} {7,D} -2 C u0 p0 c0 {1,S} {4,D} {8,S} -3 C u0 p0 c0 {1,S} {5,D} {11,S} -4 C u0 p0 c0 {2,D} {5,S} {9,S} -5 C u0 p0 c0 {3,D} {4,S} {10,S} -6 C u0 p0 c0 {7,D} {12,S} {13,S} -7 *1 C u0 p0 c0 {1,D} {6,D} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {4,S} -10 H u0 p0 c0 {5,S} +C6H7-7 +multiplicity 2 +1 *1 C u0 p0 c0 {2,S} {3,S} {7,S} {8,S} +2 C u0 p0 c0 {1,S} {4,S} {6,D} +3 *2 C u1 p0 c0 {1,S} {5,S} {9,S} +4 C u0 p0 c0 {2,S} {5,D} {10,S} +5 C u0 p0 c0 {3,S} {4,D} {11,S} +6 C u0 p0 c0 {2,D} {12,S} {13,S} +7 H u0 p0 c0 {1,S} +8 *3 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {4,S} +11 H u0 p0 c0 {5,S} +12 H u0 p0 c0 {6,S} +13 H u0 p0 c0 {6,S} + +C6H7-8 +multiplicity 2 +1 *1 C u0 p0 c0 {2,S} {3,S} {7,S} {8,S} +2 *2 C u1 p0 c0 {1,S} {5,S} {10,S} +3 C u0 p0 c0 {1,S} {4,D} {9,S} +4 C u0 p0 c0 {3,D} {6,S} {11,S} +5 C u0 p0 c0 {2,S} {6,D} {12,S} +6 C u0 p0 c0 {4,S} {5,D} {13,S} +7 H u0 p0 c0 {1,S} +8 *3 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {5,S} +13 H u0 p0 c0 {6,S} + +C10H8 +1 *1 C u0 p0 c0 {2,D} {3,S} {4,S} +2 *2 C u0 p0 c0 {1,D} {5,S} {6,S} +3 C u0 p0 c0 {1,S} {7,D} {11,S} +4 C u0 p0 c0 {1,S} {8,D} {12,S} +5 C u0 p0 c0 {2,S} {9,D} {13,S} +6 C u0 p0 c0 {2,S} {10,D} {14,S} +7 C u0 p0 c0 {3,D} {8,S} {15,S} +8 C u0 p0 c0 {4,D} {7,S} {16,S} +9 C u0 p0 c0 {5,D} {10,S} {17,S} +10 C u0 p0 c0 {6,D} {9,S} {18,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {8,S} +17 H u0 p0 c0 {9,S} +18 H u0 p0 c0 {10,S} + +C10H9 +multiplicity 2 +1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {11,S} +2 *2 C u1 p0 c0 {1,S} {5,S} {6,S} +3 C u0 p0 c0 {1,S} {7,D} {12,S} +4 C u0 p0 c0 {1,S} {8,D} {13,S} +5 C u0 p0 c0 {2,S} {9,D} {14,S} +6 C u0 p0 c0 {2,S} {10,D} {15,S} +7 C u0 p0 c0 {3,D} {8,S} {16,S} +8 C u0 p0 c0 {4,D} {7,S} {17,S} +9 C u0 p0 c0 {5,D} {10,S} {18,S} +10 C u0 p0 c0 {6,D} {9,S} {19,S} +11 *3 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {6,S} +16 H u0 p0 c0 {7,S} +17 H u0 p0 c0 {8,S} +18 H u0 p0 c0 {9,S} +19 H u0 p0 c0 {10,S} + +C10H8-2 +1 C u0 p0 c0 {2,D} {3,S} {4,S} +2 C u0 p0 c0 {1,D} {5,S} {6,S} +3 *1 C u0 p0 c0 {1,S} {7,D} {11,S} +4 C u0 p0 c0 {1,S} {8,D} {12,S} +5 C u0 p0 c0 {2,S} {9,D} {13,S} +6 C u0 p0 c0 {2,S} {10,D} {14,S} +7 *2 C u0 p0 c0 {3,D} {8,S} {15,S} +8 C u0 p0 c0 {4,D} {7,S} {16,S} +9 C u0 p0 c0 {5,D} {10,S} {17,S} +10 C u0 p0 c0 {6,D} {9,S} {18,S} 11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {6,S} -13 H u0 p0 c0 {6,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {8,S} +17 H u0 p0 c0 {9,S} +18 H u0 p0 c0 {10,S} -C7H7 +C10H9-2 multiplicity 2 -1 *3 C u0 p0 c0 {2,S} {3,S} {6,S} {8,S} -2 C u0 p0 c0 {1,S} {4,D} {9,S} -3 C u0 p0 c0 {1,S} {5,D} {10,S} -4 C u0 p0 c0 {2,D} {5,S} {12,S} -5 C u0 p0 c0 {3,D} {4,S} {13,S} -6 *1 C u0 p0 c0 {1,S} {7,D} {11,S} -7 *2 C u1 p0 c0 {6,D} {14,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {3,S} -11 H u0 p0 c0 {6,S} +1 *1 C u0 p0 c0 {2,S} {4,S} {11,S} {12,S} +2 C u0 p0 c0 {1,S} {3,D} {5,S} +3 C u0 p0 c0 {2,D} {6,S} {7,S} +4 *2 C u1 p0 c0 {1,S} {8,S} {13,S} +5 C u0 p0 c0 {2,S} {8,D} {14,S} +6 C u0 p0 c0 {3,S} {9,D} {15,S} +7 C u0 p0 c0 {3,S} {10,D} {16,S} +8 C u0 p0 c0 {4,S} {5,D} {17,S} +9 C u0 p0 c0 {6,D} {10,S} {18,S} +10 C u0 p0 c0 {7,D} {9,S} {19,S} +11 H u0 p0 c0 {1,S} +12 *3 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {6,S} +16 H u0 p0 c0 {7,S} +17 H u0 p0 c0 {8,S} +18 H u0 p0 c0 {9,S} +19 H u0 p0 c0 {10,S} + +C10H8-3 +1 C u0 p0 c0 {2,D} {3,S} {4,S} +2 C u0 p0 c0 {1,D} {5,S} {6,S} +3 *2 C u0 p0 c0 {1,S} {7,D} {11,S} +4 C u0 p0 c0 {1,S} {8,D} {12,S} +5 C u0 p0 c0 {2,S} {9,D} {13,S} +6 C u0 p0 c0 {2,S} {10,D} {14,S} +7 *1 C u0 p0 c0 {3,D} {8,S} {15,S} +8 C u0 p0 c0 {4,D} {7,S} {16,S} +9 C u0 p0 c0 {5,D} {10,S} {17,S} +10 C u0 p0 c0 {6,D} {9,S} {18,S} +11 H u0 p0 c0 {3,S} 12 H u0 p0 c0 {4,S} 13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {7,S} - -C7H8 -1 C u0 p0 c0 {2,S} {3,S} {4,S} {8,S} -2 C u0 p0 c0 {1,S} {5,D} {9,S} -3 C u0 p0 c0 {1,S} {6,D} {10,S} -4 *2 C u0 p0 c0 {1,S} {7,D} {11,S} -5 C u0 p0 c0 {2,D} {6,S} {12,S} -6 C u0 p0 c0 {3,D} {5,S} {13,S} -7 *1 C u0 p0 c0 {4,D} {14,S} {15,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {3,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {5,S} -13 H u0 p0 c0 {6,S} -14 H u0 p0 c0 {7,S} +14 H u0 p0 c0 {6,S} 15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {8,S} +17 H u0 p0 c0 {9,S} +18 H u0 p0 c0 {10,S} -C7H9 +C10H9-3 multiplicity 2 -1 C u0 p0 c0 {3,S} {4,S} {5,S} {8,S} -2 *1 C u0 p0 c0 {3,S} {9,S} {10,S} {11,S} -3 *2 C u1 p0 c0 {1,S} {2,S} {12,S} -4 C u0 p0 c0 {1,S} {6,D} {13,S} -5 C u0 p0 c0 {1,S} {7,D} {14,S} -6 C u0 p0 c0 {4,D} {7,S} {15,S} -7 C u0 p0 c0 {5,D} {6,S} {16,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} -11 *3 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {3,S} +1 *1 C u0 p0 c0 {4,S} {5,S} {11,S} {12,S} +2 C u0 p0 c0 {3,D} {4,S} {6,S} +3 C u0 p0 c0 {2,D} {7,S} {8,S} +4 *2 C u1 p0 c0 {1,S} {2,S} {13,S} +5 C u0 p0 c0 {1,S} {6,D} {14,S} +6 C u0 p0 c0 {2,S} {5,D} {15,S} +7 C u0 p0 c0 {3,S} {9,D} {16,S} +8 C u0 p0 c0 {3,S} {10,D} {17,S} +9 C u0 p0 c0 {7,D} {10,S} {18,S} +10 C u0 p0 c0 {8,D} {9,S} {19,S} +11 H u0 p0 c0 {1,S} +12 *3 H u0 p0 c0 {1,S} 13 H u0 p0 c0 {4,S} 14 H u0 p0 c0 {5,S} 15 H u0 p0 c0 {6,S} 16 H u0 p0 c0 {7,S} +17 H u0 p0 c0 {8,S} +18 H u0 p0 c0 {9,S} +19 H u0 p0 c0 {10,S} -C4H6-2 -1 *1 C u0 p0 c0 {2,S} {3,D} {5,S} -2 C u0 p0 c0 {1,S} {4,D} {6,S} -3 *2 C u0 p0 c0 {1,D} {7,S} {8,S} -4 C u0 p0 c0 {2,D} {9,S} {10,S} -5 H u0 p0 c0 {1,S} -6 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {3,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {4,S} -10 H u0 p0 c0 {4,S} +C10H9-4 +multiplicity 2 +1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {11,S} +2 C u0 p0 c0 {1,S} {5,S} {6,D} +3 *2 C u1 p0 c0 {1,S} {8,S} {13,S} +4 C u0 p0 c0 {1,S} {7,D} {12,S} +5 C u0 p0 c0 {2,S} {9,D} {16,S} +6 C u0 p0 c0 {2,D} {10,S} {17,S} +7 C u0 p0 c0 {4,D} {9,S} {14,S} +8 C u0 p0 c0 {3,S} {10,D} {18,S} +9 C u0 p0 c0 {5,D} {7,S} {15,S} +10 C u0 p0 c0 {6,S} {8,D} {19,S} +11 *3 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {9,S} +16 H u0 p0 c0 {5,S} +17 H u0 p0 c0 {6,S} +18 H u0 p0 c0 {8,S} +19 H u0 p0 c0 {10,S} + +C10H8-4 +1 *1 C u0 p0 c0 {2,B} {3,B} {5,B} +2 C u0 p0 c0 {1,B} {4,B} {6,B} +3 C u0 p0 c0 {1,B} {7,B} {13,S} +4 C u0 p0 c0 {2,B} {8,B} {14,S} +5 *2 C u0 p0 c0 {1,B} {9,B} {15,S} +6 C u0 p0 c0 {2,B} {10,B} {16,S} +7 C u0 p0 c0 {3,B} {8,B} {11,S} +8 C u0 p0 c0 {4,B} {7,B} {12,S} +9 C u0 p0 c0 {5,B} {10,B} {17,S} +10 C u0 p0 c0 {6,B} {9,B} {18,S} +11 H u0 p0 c0 {7,S} +12 H u0 p0 c0 {8,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {6,S} +17 H u0 p0 c0 {9,S} +18 H u0 p0 c0 {10,S} CH2CHNH2 1 N u0 p1 c0 {2,S} {7,S} {8,S} @@ -2160,93 +2375,39 @@ CH2CHNH2 7 H u0 p0 c0 {1,S} 8 H u0 p0 c0 {1,S} -C4H2-2 -1 *1 C u0 p0 c0 {2,S} {3,T} -2 C u0 p0 c0 {1,S} {4,T} -3 *2 C u0 p0 c0 {1,T} {5,S} -4 C u0 p0 c0 {2,T} {6,S} -5 H u0 p0 c0 {3,S} -6 H u0 p0 c0 {4,S} - -C6H8-6 -1 C u0 p0 c0 {3,S} {5,S} {7,S} {8,S} -2 C u0 p0 c0 {4,S} {6,S} {9,S} {10,S} -3 *1 C u0 p0 c0 {1,S} {4,D} {11,S} -4 *2 C u0 p0 c0 {2,S} {3,D} {12,S} -5 C u0 p0 c0 {1,S} {6,D} {13,S} -6 C u0 p0 c0 {2,S} {5,D} {14,S} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {6,S} - -C6H8-4 -1 C u0 p0 c0 {3,S} {4,S} {7,S} {8,S} -2 C u0 p0 c0 {3,S} {5,S} {9,S} {10,S} -3 *1 C u0 p0 c0 {1,S} {2,S} {6,D} -4 C u0 p0 c0 {1,S} {5,D} {11,S} -5 C u0 p0 c0 {2,S} {4,D} {12,S} -6 *2 C u0 p0 c0 {3,D} {13,S} {14,S} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {5,S} -13 H u0 p0 c0 {6,S} -14 H u0 p0 c0 {6,S} +CH2CH2NH2 +multiplicity 2 +1 N u0 p1 c0 {2,S} {8,S} {9,S} +2 *1 C u0 p0 c0 {1,S} {3,S} {4,S} {5,S} +3 *2 C u1 p0 c0 {2,S} {6,S} {7,S} +4 *3 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {3,S} +7 H u0 p0 c0 {3,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {1,S} -C6H8-5 -1 C u0 p0 c0 {2,S} {3,S} {7,S} {8,S} -2 C u0 p0 c0 {1,S} {4,S} {9,S} {10,S} -3 *2 C u0 p0 c0 {1,S} {5,D} {11,S} -4 C u0 p0 c0 {2,S} {6,D} {12,S} -5 *1 C u0 p0 c0 {3,D} {6,S} {13,S} -6 C u0 p0 c0 {4,D} {5,S} {14,S} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {6,S} +NH2 +multiplicity 2 +1 *3 N u1 p1 c0 {2,S} {3,S} +2 H u0 p0 c0 {1,S} +3 H u0 p0 c0 {1,S} -C6H8-2 -1 C u0 p0 c0 {3,S} {4,S} {7,S} {8,S} -2 C u0 p0 c0 {3,S} {9,S} {10,S} {11,S} -3 C u0 p0 c0 {1,S} {2,S} {5,D} -4 *2 C u0 p0 c0 {1,S} {6,D} {12,S} -5 C u0 p0 c0 {3,D} {6,S} {13,S} -6 *1 C u0 p0 c0 {4,D} {5,S} {14,S} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {6,S} +CH2NH +1 *1 N u0 p1 c0 {2,D} {5,S} +2 *2 C u0 p0 c0 {1,D} {3,S} {4,S} +3 H u0 p0 c0 {2,S} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {1,S} -C6H8-3 -1 *1 C u0 p0 c0 {2,D} {3,S} {8,S} -2 *2 C u0 p0 c0 {1,D} {4,S} {9,S} -3 C u0 p0 c0 {1,S} {5,D} {7,S} -4 C u0 p0 c0 {2,S} {6,D} {10,S} -5 C u0 p0 c0 {3,D} {11,S} {12,S} -6 C u0 p0 c0 {4,D} {13,S} {14,S} -7 H u0 p0 c0 {3,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {4,S} -11 H u0 p0 c0 {5,S} -12 H u0 p0 c0 {5,S} -13 H u0 p0 c0 {6,S} -14 H u0 p0 c0 {6,S} +CH2NH2 +multiplicity 2 +1 *1 N u0 p1 c0 {2,S} {5,S} {6,S} +2 *2 C u1 p0 c0 {1,S} {3,S} {4,S} +3 H u0 p0 c0 {2,S} +4 H u0 p0 c0 {2,S} +5 *3 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} C4H9-1 multiplicity 2 @@ -2264,26 +2425,220 @@ multiplicity 2 12 H u0 p0 c0 {4,S} 13 H u0 p0 c0 {4,S} -C9H9-20 +C8H8 +1 C u0 p0 c0 {2,B} {3,B} {4,S} +2 C u0 p0 c0 {1,B} {5,B} {10,S} +3 C u0 p0 c0 {1,B} {7,B} {14,S} +4 *2 C u0 p0 c0 {1,S} {8,D} {9,S} +5 C u0 p0 c0 {2,B} {6,B} {11,S} +6 C u0 p0 c0 {5,B} {7,B} {12,S} +7 C u0 p0 c0 {3,B} {6,B} {13,S} +8 *1 C u0 p0 c0 {4,D} {15,S} {16,S} +9 H u0 p0 c0 {4,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {5,S} +12 H u0 p0 c0 {6,S} +13 H u0 p0 c0 {7,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {8,S} +16 H u0 p0 c0 {8,S} + +C12H17-1 multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {10,S} -2 *2 C u1 p0 c0 {1,S} {5,S} {11,S} -3 C u0 p0 c0 {1,S} {6,D} {12,S} -4 *3 C u0 p0 c0 {1,S} {9,D} {16,S} -5 C u0 p0 c0 {2,S} {7,D} {13,S} -6 C u0 p0 c0 {3,D} {7,S} {15,S} -7 C u0 p0 c0 {5,D} {6,S} {14,S} -8 C u0 p0 c0 {9,D} {17,S} {18,S} -9 C u0 p0 c0 {4,D} {8,D} +1 C u0 p0 c0 {2,S} {3,S} {15,S} {16,S} +2 *3 C u0 p0 c0 {1,S} {4,S} {17,S} {18,S} +3 C u0 p0 c0 {1,S} {5,S} {13,S} {14,S} +4 *1 C u0 p0 c0 {2,S} {7,S} {19,S} {20,S} +5 C u0 p0 c0 {3,S} {21,S} {22,S} {23,S} +6 C u0 p0 c0 {7,S} {8,B} {9,B} +7 *2 C u1 p0 c0 {4,S} {6,S} {24,S} +8 C u0 p0 c0 {6,B} {10,B} {25,S} +9 C u0 p0 c0 {6,B} {12,B} {29,S} +10 C u0 p0 c0 {8,B} {11,B} {26,S} +11 C u0 p0 c0 {10,B} {12,B} {27,S} +12 C u0 p0 c0 {9,B} {11,B} {28,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {1,S} +16 H u0 p0 c0 {1,S} +17 H u0 p0 c0 {2,S} +18 H u0 p0 c0 {2,S} +19 H u0 p0 c0 {4,S} +20 H u0 p0 c0 {4,S} +21 H u0 p0 c0 {5,S} +22 H u0 p0 c0 {5,S} +23 H u0 p0 c0 {5,S} +24 H u0 p0 c0 {7,S} +25 H u0 p0 c0 {8,S} +26 H u0 p0 c0 {10,S} +27 H u0 p0 c0 {11,S} +28 H u0 p0 c0 {12,S} +29 H u0 p0 c0 {9,S} + +C9H11-1 +multiplicity 2 +1 *1 C u0 p0 c0 {2,S} {4,S} {10,S} {11,S} +2 *3 C u0 p0 c0 {1,S} {12,S} {13,S} {14,S} +3 C u0 p0 c0 {4,S} {5,B} {6,B} +4 *2 C u1 p0 c0 {1,S} {3,S} {15,S} +5 C u0 p0 c0 {3,B} {7,B} {16,S} +6 C u0 p0 c0 {3,B} {9,B} {20,S} +7 C u0 p0 c0 {5,B} {8,B} {17,S} +8 C u0 p0 c0 {7,B} {9,B} {18,S} +9 C u0 p0 c0 {6,B} {8,B} {19,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {5,S} +17 H u0 p0 c0 {7,S} +18 H u0 p0 c0 {8,S} +19 H u0 p0 c0 {9,S} +20 H u0 p0 c0 {6,S} + +C9H11-3 +multiplicity 2 +1 *3 C u0 p0 c0 {2,S} {3,S} {12,S} {13,S} +2 *1 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} +3 C u0 p0 c0 {1,S} {4,B} {5,B} +4 C u0 p0 c0 {3,B} {6,B} {14,S} +5 C u0 p0 c0 {3,B} {8,B} {18,S} +6 C u0 p0 c0 {4,B} {7,B} {15,S} +7 C u0 p0 c0 {6,B} {8,B} {16,S} +8 C u0 p0 c0 {5,B} {7,B} {17,S} +9 *2 C u1 p0 c0 {2,S} {19,S} {20,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {6,S} +16 H u0 p0 c0 {7,S} +17 H u0 p0 c0 {8,S} +18 H u0 p0 c0 {5,S} +19 H u0 p0 c0 {9,S} +20 H u0 p0 c0 {9,S} + +C7H7-3 +multiplicity 2 +1 C u0 p0 c0 {2,B} {3,B} {7,S} +2 C u0 p0 c0 {1,B} {4,B} {8,S} +3 C u0 p0 c0 {1,B} {6,B} {12,S} +4 C u0 p0 c0 {2,B} {5,B} {9,S} +5 C u0 p0 c0 {4,B} {6,B} {10,S} +6 C u0 p0 c0 {3,B} {5,B} {11,S} +7 *3 C u1 p0 c0 {1,S} {13,S} {14,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {4,S} +10 H u0 p0 c0 {5,S} +11 H u0 p0 c0 {6,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {7,S} +14 H u0 p0 c0 {7,S} + +C12H18 +1 C u0 p0 c0 {2,S} {4,S} {15,S} {16,S} +2 C u0 p0 c0 {1,S} {3,S} {17,S} {18,S} +3 C u0 p0 c0 {2,S} {5,S} {19,S} {20,S} +4 C u0 p0 c0 {1,S} {6,S} {13,S} {14,S} +5 C u0 p0 c0 {3,S} {7,S} {21,S} {22,S} +6 C u0 p0 c0 {4,S} {23,S} {24,S} {25,S} +7 *1 C u0 p0 c0 {5,S} {8,B} {9,B} +8 *2 C u0 p0 c0 {7,B} {10,B} {26,S} +9 C u0 p0 c0 {7,B} {12,B} {30,S} +10 C u0 p0 c0 {8,B} {11,B} {27,S} +11 C u0 p0 c0 {10,B} {12,B} {28,S} +12 C u0 p0 c0 {9,B} {11,B} {29,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {1,S} +16 H u0 p0 c0 {1,S} +17 H u0 p0 c0 {2,S} +18 H u0 p0 c0 {2,S} +19 H u0 p0 c0 {3,S} +20 H u0 p0 c0 {3,S} +21 H u0 p0 c0 {5,S} +22 H u0 p0 c0 {5,S} +23 H u0 p0 c0 {6,S} +24 H u0 p0 c0 {6,S} +25 H u0 p0 c0 {6,S} +26 H u0 p0 c0 {8,S} +27 H u0 p0 c0 {10,S} +28 H u0 p0 c0 {11,S} +29 H u0 p0 c0 {12,S} +30 H u0 p0 c0 {9,S} + +C12H19-1 +multiplicity 2 +1 *1 C u0 p0 c0 {2,S} {8,S} {9,S} {13,S} +2 C u0 p0 c0 {1,S} {5,S} {22,S} {23,S} +3 C u0 p0 c0 {4,S} {6,S} {16,S} {17,S} +4 C u0 p0 c0 {3,S} {5,S} {18,S} {19,S} +5 C u0 p0 c0 {2,S} {4,S} {20,S} {21,S} +6 C u0 p0 c0 {3,S} {7,S} {14,S} {15,S} +7 C u0 p0 c0 {6,S} {24,S} {25,S} {26,S} +8 *2 C u0 p0 c0 {1,S} {10,D} {27,S} +9 C u0 p0 c0 {1,S} {11,D} {28,S} +10 C u0 p0 c0 {8,D} {12,S} {30,S} +11 C u0 p0 c0 {9,D} {12,S} {31,S} +12 C u1 p0 c0 {10,S} {11,S} {29,S} +13 *3 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {6,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {3,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {4,S} +20 H u0 p0 c0 {5,S} +21 H u0 p0 c0 {5,S} +22 H u0 p0 c0 {2,S} +23 H u0 p0 c0 {2,S} +24 H u0 p0 c0 {7,S} +25 H u0 p0 c0 {7,S} +26 H u0 p0 c0 {7,S} +27 H u0 p0 c0 {8,S} +28 H u0 p0 c0 {9,S} +29 H u0 p0 c0 {12,S} +30 H u0 p0 c0 {10,S} +31 H u0 p0 c0 {11,S} + +C7H8-27 +1 C u0 p0 c0 {2,S} {8,S} {9,S} {10,S} +2 C u0 p0 c0 {1,S} {3,B} {4,B} +3 C u0 p0 c0 {2,B} {5,B} {11,S} +4 *2 C u0 p0 c0 {2,B} {7,B} {15,S} +5 C u0 p0 c0 {3,B} {6,B} {12,S} +6 C u0 p0 c0 {5,B} {7,B} {13,S} +7 *1 C u0 p0 c0 {4,B} {6,B} {14,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {1,S} 10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {5,S} +13 H u0 p0 c0 {6,S} +14 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {4,S} + +C7H9-23 +multiplicity 2 +1 *1 C u0 p0 c0 {4,S} {5,S} {8,S} {9,S} +2 C u0 p0 c0 {3,S} {10,S} {11,S} {12,S} +3 C u0 p0 c0 {2,S} {4,D} {6,S} +4 *2 C u0 p0 c0 {1,S} {3,D} {13,S} +5 C u0 p0 c0 {1,S} {7,D} {14,S} +6 C u1 p0 c0 {3,S} {7,S} {15,S} +7 C u0 p0 c0 {5,D} {6,S} {16,S} +8 *3 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {2,S} 11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {7,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {5,S} 15 H u0 p0 c0 {6,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {8,S} -18 H u0 p0 c0 {8,S} +16 H u0 p0 c0 {7,S} C7H8-13 1 C u0 p0 c0 {2,S} {8,S} {9,S} {10,S} @@ -2302,81 +2657,32 @@ C7H8-13 14 H u0 p0 c0 {7,S} 15 H u0 p0 c0 {4,S} -C7H8-12 -1 C u0 p0 c0 {2,S} {8,S} {9,S} {10,S} -2 *2 C u0 p0 c0 {1,S} {4,D} {5,S} -3 C u0 p0 c0 {4,S} {6,S} {7,D} -4 *1 C u0 p0 c0 {2,D} {3,S} {12,S} -5 C u0 p0 c0 {2,S} {6,D} {13,S} -6 C u0 p0 c0 {3,S} {5,D} {11,S} -7 C u0 p0 c0 {3,D} {14,S} {15,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {6,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {7,S} -15 H u0 p0 c0 {7,S} - -C7H8-11 -1 C u0 p0 c0 {2,S} {4,S} {8,S} {9,S} -2 C u0 p0 c0 {1,S} {3,S} {6,D} -3 C u0 p0 c0 {2,S} {5,S} {7,D} -4 *1 C u0 p0 c0 {1,S} {5,D} {10,S} -5 *2 C u0 p0 c0 {3,S} {4,D} {11,S} -6 C u0 p0 c0 {2,D} {14,S} {15,S} -7 C u0 p0 c0 {3,D} {12,S} {13,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {4,S} -11 H u0 p0 c0 {5,S} -12 H u0 p0 c0 {7,S} -13 H u0 p0 c0 {7,S} -14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {6,S} - -C7H8-10 -1 C u0 p0 c0 {2,S} {3,S} {8,S} {9,S} -2 C u0 p0 c0 {1,S} {4,S} {7,D} -3 *2 C u0 p0 c0 {1,S} {5,D} {10,S} -4 C u0 p0 c0 {2,S} {6,D} {11,S} -5 *1 C u0 p0 c0 {3,D} {6,S} {13,S} -6 C u0 p0 c0 {4,D} {5,S} {12,S} -7 C u0 p0 c0 {2,D} {14,S} {15,S} -8 H u0 p0 c0 {1,S} +C7H9-24 +multiplicity 2 +1 *1 C u0 p0 c0 {3,S} {4,S} {8,S} {9,S} +2 C u0 p0 c0 {3,S} {10,S} {11,S} {12,S} +3 *2 C u0 p0 c0 {1,S} {2,S} {5,D} +4 C u0 p0 c0 {1,S} {6,D} {13,S} +5 C u0 p0 c0 {3,D} {7,S} {15,S} +6 C u0 p0 c0 {4,D} {7,S} {16,S} +7 C u1 p0 c0 {5,S} {6,S} {14,S} +8 *3 H u0 p0 c0 {1,S} 9 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {3,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {6,S} -13 H u0 p0 c0 {5,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {4,S} 14 H u0 p0 c0 {7,S} -15 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {6,S} -C7H8-15 +C7H8-29 1 C u0 p0 c0 {2,S} {8,S} {9,S} {10,S} 2 C u0 p0 c0 {1,S} {3,B} {4,B} 3 C u0 p0 c0 {2,B} {5,B} {11,S} 4 C u0 p0 c0 {2,B} {7,B} {15,S} -5 *1 C u0 p0 c0 {3,B} {6,B} {12,S} -6 *2 C u0 p0 c0 {5,B} {7,B} {13,S} -7 C u0 p0 c0 {4,B} {6,B} {14,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {5,S} -13 H u0 p0 c0 {6,S} -14 H u0 p0 c0 {7,S} -15 H u0 p0 c0 {4,S} - -C7H8-14 -1 C u0 p0 c0 {2,S} {8,S} {9,S} {10,S} -2 C u0 p0 c0 {1,S} {3,B} {4,B} -3 *1 C u0 p0 c0 {2,B} {5,B} {11,S} -4 C u0 p0 c0 {2,B} {7,B} {15,S} 5 *2 C u0 p0 c0 {3,B} {6,B} {12,S} -6 C u0 p0 c0 {5,B} {7,B} {13,S} +6 *1 C u0 p0 c0 {5,B} {7,B} {13,S} 7 C u0 p0 c0 {4,B} {6,B} {14,S} 8 H u0 p0 c0 {1,S} 9 H u0 p0 c0 {1,S} @@ -2387,162 +2693,312 @@ C7H8-14 14 H u0 p0 c0 {7,S} 15 H u0 p0 c0 {4,S} -C4H5-9 +C7H9-25 multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {5,S} {6,S} {7,S} -2 *2 C u1 p0 c0 {1,S} {3,S} {8,S} -3 C u0 p0 c0 {2,S} {4,T} -4 C u0 p0 c0 {3,T} {9,S} -5 H u0 p0 c0 {1,S} -6 H u0 p0 c0 {1,S} -7 *3 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {4,S} +1 *1 C u0 p0 c0 {4,S} {5,S} {8,S} {9,S} +2 C u0 p0 c0 {3,S} {10,S} {11,S} {12,S} +3 C u0 p0 c0 {2,S} {6,D} {7,S} +4 *2 C u1 p0 c0 {1,S} {6,S} {13,S} +5 C u0 p0 c0 {1,S} {7,D} {14,S} +6 C u0 p0 c0 {3,D} {4,S} {15,S} +7 C u0 p0 c0 {3,S} {5,D} {16,S} +8 *3 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {6,S} +16 H u0 p0 c0 {7,S} -C4H5-8 +C7H9-26 multiplicity 2 -1 *3 C u0 p0 c0 {2,S} {3,D} {5,S} -2 *1 C u0 p0 c0 {1,S} {4,D} {6,S} -3 C u0 p0 c0 {1,D} {7,S} {8,S} -4 *2 C u1 p0 c0 {2,D} {9,S} -5 H u0 p0 c0 {1,S} -6 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {3,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {4,S} +1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {8,S} +2 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} +3 C u0 p0 c0 {1,S} {5,D} {12,S} +4 *2 C u0 p0 c0 {1,S} {6,D} {13,S} +5 C u0 p0 c0 {3,D} {7,S} {15,S} +6 C u0 p0 c0 {4,D} {7,S} {16,S} +7 C u1 p0 c0 {5,S} {6,S} {14,S} +8 *3 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {6,S} -C2H3O +C6H5 multiplicity 2 -1 O u0 p2 c0 {3,D} -2 *1 C u0 p0 c0 {3,S} {4,S} {5,S} {6,S} -3 *2 C u1 p0 c0 {1,D} {2,S} -4 *3 H u0 p0 c0 {2,S} -5 H u0 p0 c0 {2,S} -6 H u0 p0 c0 {2,S} +1 C u0 p0 c0 {2,B} {3,B} {8,S} +2 C u0 p0 c0 {1,B} {4,B} {7,S} +3 C u0 p0 c0 {1,B} {5,B} {9,S} +4 C u0 p0 c0 {2,B} {6,B} {10,S} +5 C u0 p0 c0 {3,B} {6,B} {11,S} +6 *3 C u1 p0 c0 {4,B} {5,B} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {4,S} +11 H u0 p0 c0 {5,S} -C4H5-3 +C9H11 multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {5,S} {6,S} {7,S} -2 *2 C u1 p0 c0 {1,S} {3,S} {4,S} -3 C u0 p0 c0 {2,S} {4,D} {8,S} -4 C u0 p0 c0 {2,S} {3,D} {9,S} -5 H u0 p0 c0 {1,S} -6 H u0 p0 c0 {1,S} -7 *3 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {4,S} +1 *1 C u0 p0 c0 {3,S} {4,S} {10,S} {11,S} +2 C u0 p0 c0 {4,S} {12,S} {13,S} {14,S} +3 *3 C u0 p0 c0 {1,S} {5,B} {6,B} +4 *2 C u1 p0 c0 {1,S} {2,S} {15,S} +5 C u0 p0 c0 {3,B} {8,B} {19,S} +6 C u0 p0 c0 {3,B} {9,B} {20,S} +7 C u0 p0 c0 {8,B} {9,B} {17,S} +8 C u0 p0 c0 {5,B} {7,B} {16,S} +9 C u0 p0 c0 {6,B} {7,B} {18,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {8,S} +17 H u0 p0 c0 {7,S} +18 H u0 p0 c0 {9,S} +19 H u0 p0 c0 {5,S} +20 H u0 p0 c0 {6,S} -C4H5-2 +C9H11-2 multiplicity 2 -1 C u0 p0 c0 {2,S} {3,D} {5,S} -2 C u0 p0 c0 {1,S} {4,D} {6,S} -3 C u0 p0 c0 {1,D} {7,S} {8,S} -4 *3 C u1 p0 c0 {2,D} {9,S} -5 H u0 p0 c0 {1,S} -6 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {3,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {4,S} +1 *1 C u0 p0 c0 {2,S} {3,S} {9,S} {10,S} +2 C u0 p0 c0 {1,S} {11,S} {12,S} {13,S} +3 *3 C u0 p0 c0 {1,S} {4,B} {5,B} +4 C u0 p0 c0 {3,B} {7,B} {17,S} +5 C u0 p0 c0 {3,B} {8,B} {18,S} +6 C u0 p0 c0 {7,B} {8,B} {15,S} +7 C u0 p0 c0 {4,B} {6,B} {14,S} +8 C u0 p0 c0 {5,B} {6,B} {16,S} +9 *2 C u1 p0 c0 {1,S} {19,S} {20,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {6,S} +16 H u0 p0 c0 {8,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {5,S} +19 H u0 p0 c0 {9,S} +20 H u0 p0 c0 {9,S} -C4H5-5 +C9H11-4 multiplicity 2 -1 *1 C u0 p0 c0 {2,D} {4,S} {5,S} -2 C u0 p0 c0 {1,D} {6,S} {7,S} -3 C u0 p0 c0 {4,D} {8,S} {9,S} -4 *2 C u1 p0 c0 {1,S} {3,D} -5 *3 H u0 p0 c0 {1,S} -6 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {3,S} +1 C u0 p0 c0 {3,S} {4,S} {10,S} {11,S} +2 *1 C u0 p0 c0 {4,S} {12,S} {13,S} {14,S} +3 C u0 p0 c0 {1,S} {5,B} {6,B} +4 *2 C u1 p0 c0 {1,S} {2,S} {15,S} +5 C u0 p0 c0 {3,B} {7,B} {16,S} +6 C u0 p0 c0 {3,B} {9,B} {19,S} +7 C u0 p0 c0 {5,B} {8,B} {17,S} +8 C u0 p0 c0 {7,B} {9,B} {18,S} +9 C u0 p0 c0 {6,B} {8,B} {20,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {2,S} +14 *3 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {5,S} +17 H u0 p0 c0 {7,S} +18 H u0 p0 c0 {8,S} +19 H u0 p0 c0 {6,S} +20 H u0 p0 c0 {9,S} -C4H5-4 -multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {3,S} {5,S} {6,S} -2 C u0 p0 c0 {1,S} {3,S} {4,D} -3 *2 C u1 p0 c0 {1,S} {2,S} {7,S} -4 C u0 p0 c0 {2,D} {8,S} {9,S} -5 H u0 p0 c0 {1,S} -6 *3 H u0 p0 c0 {1,S} -7 H u0 p0 c0 {3,S} -8 H u0 p0 c0 {4,S} -9 H u0 p0 c0 {4,S} +C9H10 +1 C u0 p0 c0 {2,S} {3,S} {10,S} {11,S} +2 C u0 p0 c0 {1,S} {4,B} {5,B} +3 *2 C u0 p0 c0 {1,S} {9,D} {12,S} +4 C u0 p0 c0 {2,B} {6,B} {13,S} +5 C u0 p0 c0 {2,B} {8,B} {16,S} +6 C u0 p0 c0 {4,B} {7,B} {14,S} +7 C u0 p0 c0 {6,B} {8,B} {15,S} +8 C u0 p0 c0 {5,B} {7,B} {17,S} +9 *1 C u0 p0 c0 {3,D} {18,S} {19,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {5,S} +17 H u0 p0 c0 {8,S} +18 H u0 p0 c0 {9,S} +19 H u0 p0 c0 {9,S} -C4H5-7 +C9H11-5 multiplicity 2 -1 C u0 p0 c0 {2,S} {3,D} {5,S} -2 *1 C u0 p0 c0 {1,S} {4,D} {6,S} -3 C u0 p0 c0 {1,D} {7,S} {8,S} -4 *2 C u1 p0 c0 {2,D} {9,S} -5 H u0 p0 c0 {1,S} -6 *3 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {3,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {4,S} +1 *1 C u0 p0 c0 {3,S} {4,S} {10,S} {11,S} +2 C u0 p0 c0 {4,S} {12,S} {13,S} {14,S} +3 C u0 p0 c0 {1,S} {5,B} {6,B} +4 *2 C u1 p0 c0 {1,S} {2,S} {15,S} +5 C u0 p0 c0 {3,B} {7,B} {16,S} +6 C u0 p0 c0 {3,B} {9,B} {19,S} +7 C u0 p0 c0 {5,B} {8,B} {17,S} +8 C u0 p0 c0 {7,B} {9,B} {18,S} +9 C u0 p0 c0 {6,B} {8,B} {20,S} +10 H u0 p0 c0 {1,S} +11 *3 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {5,S} +17 H u0 p0 c0 {7,S} +18 H u0 p0 c0 {8,S} +19 H u0 p0 c0 {6,S} +20 H u0 p0 c0 {9,S} -C4H5-6 -multiplicity 2 -1 C u0 p0 c0 {2,D} {4,S} {5,S} -2 C u0 p0 c0 {1,D} {6,S} {7,S} -3 *1 C u0 p0 c0 {4,D} {8,S} {9,S} -4 *2 C u1 p0 c0 {1,S} {3,D} -5 H u0 p0 c0 {1,S} -6 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {3,S} -9 *3 H u0 p0 c0 {3,S} +C9H10-2 +1 C u0 p0 c0 {3,S} {10,S} {11,S} {12,S} +2 C u0 p0 c0 {4,S} {5,B} {6,B} +3 *2 C u0 p0 c0 {1,S} {4,D} {13,S} +4 *1 C u0 p0 c0 {2,S} {3,D} {18,S} +5 C u0 p0 c0 {2,B} {7,B} {14,S} +6 C u0 p0 c0 {2,B} {9,B} {17,S} +7 C u0 p0 c0 {5,B} {8,B} {15,S} +8 C u0 p0 c0 {7,B} {9,B} {16,S} +9 C u0 p0 c0 {6,B} {8,B} {19,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {8,S} +17 H u0 p0 c0 {6,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {9,S} -C10H7 +C9H11-6 multiplicity 2 -1 *3 C u0 p0 c0 {2,B} {3,B} {7,S} -2 C u0 p0 c0 {1,B} {4,B} {8,S} -3 C u0 p0 c0 {1,B} {6,B} {14,S} -4 C u0 p0 c0 {2,B} {5,B} {13,S} -5 C u0 p0 c0 {4,B} {6,B} {12,S} -6 C u0 p0 c0 {3,B} {5,B} {11,S} -7 *1 C u0 p0 c0 {1,S} {9,D} {15,S} -8 C u0 p0 c0 {2,S} {10,T} -9 *2 C u1 p0 c0 {7,D} {16,S} -10 C u0 p0 c0 {8,T} {17,S} -11 H u0 p0 c0 {6,S} -12 H u0 p0 c0 {5,S} -13 H u0 p0 c0 {4,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {9,S} -17 H u0 p0 c0 {10,S} +1 *1 C u0 p0 c0 {2,S} {3,S} {9,S} {10,S} +2 *3 C u0 p0 c0 {1,S} {11,S} {12,S} {13,S} +3 C u0 p0 c0 {1,S} {4,B} {5,B} +4 C u0 p0 c0 {3,B} {6,B} {14,S} +5 C u0 p0 c0 {3,B} {7,B} {15,S} +6 C u0 p0 c0 {4,B} {8,B} {16,S} +7 C u0 p0 c0 {5,B} {8,B} {17,S} +8 C u0 p0 c0 {6,B} {7,B} {18,S} +9 *2 C u1 p0 c0 {1,S} {19,S} {20,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {6,S} +17 H u0 p0 c0 {7,S} +18 H u0 p0 c0 {8,S} +19 H u0 p0 c0 {9,S} +20 H u0 p0 c0 {9,S} -C10H6 -1 C u0 p0 c0 {2,B} {3,B} {8,S} -2 C u0 p0 c0 {1,B} {4,B} {7,S} -3 C u0 p0 c0 {1,B} {5,B} {11,S} -4 C u0 p0 c0 {2,B} {6,B} {14,S} -5 C u0 p0 c0 {3,B} {6,B} {12,S} -6 C u0 p0 c0 {4,B} {5,B} {13,S} -7 *1 C u0 p0 c0 {2,S} {9,T} -8 C u0 p0 c0 {1,S} {10,T} -9 *2 C u0 p0 c0 {7,T} {15,S} -10 C u0 p0 c0 {8,T} {16,S} +C8H8-2 +1 C u0 p0 c0 {2,B} {3,B} {4,S} +2 C u0 p0 c0 {1,B} {5,B} {10,S} +3 C u0 p0 c0 {1,B} {6,B} {11,S} +4 *1 C u0 p0 c0 {1,S} {8,D} {9,S} +5 C u0 p0 c0 {2,B} {7,B} {12,S} +6 C u0 p0 c0 {3,B} {7,B} {13,S} +7 C u0 p0 c0 {5,B} {6,B} {14,S} +8 *2 C u0 p0 c0 {4,D} {15,S} {16,S} +9 H u0 p0 c0 {4,S} +10 H u0 p0 c0 {2,S} 11 H u0 p0 c0 {3,S} 12 H u0 p0 c0 {5,S} 13 H u0 p0 c0 {6,S} +14 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {8,S} +16 H u0 p0 c0 {8,S} + +C9H11-7 +multiplicity 2 +1 *1 C u0 p0 c0 {2,S} {3,S} {9,S} {10,S} +2 C u0 p0 c0 {1,S} {11,S} {12,S} {13,S} +3 C u0 p0 c0 {1,S} {4,B} {5,B} +4 C u0 p0 c0 {3,B} {6,B} {14,S} +5 C u0 p0 c0 {3,B} {7,B} {15,S} +6 C u0 p0 c0 {4,B} {8,B} {16,S} +7 C u0 p0 c0 {5,B} {8,B} {17,S} +8 C u0 p0 c0 {6,B} {7,B} {18,S} +9 *2 C u1 p0 c0 {1,S} {19,S} {20,S} +10 *3 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {2,S} 14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {9,S} -16 H u0 p0 c0 {10,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {6,S} +17 H u0 p0 c0 {7,S} +18 H u0 p0 c0 {8,S} +19 H u0 p0 c0 {9,S} +20 H u0 p0 c0 {9,S} -C10H9 +C9H10-3 +1 C u0 p0 c0 {2,S} {10,S} {11,S} {12,S} +2 *1 C u0 p0 c0 {1,S} {3,S} {9,D} +3 C u0 p0 c0 {2,S} {4,B} {5,B} +4 C u0 p0 c0 {3,B} {6,B} {13,S} +5 C u0 p0 c0 {3,B} {7,B} {14,S} +6 C u0 p0 c0 {4,B} {8,B} {15,S} +7 C u0 p0 c0 {5,B} {8,B} {16,S} +8 C u0 p0 c0 {6,B} {7,B} {17,S} +9 *2 C u0 p0 c0 {2,D} {18,S} {19,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {6,S} +16 H u0 p0 c0 {7,S} +17 H u0 p0 c0 {8,S} +18 H u0 p0 c0 {9,S} +19 H u0 p0 c0 {9,S} + +C9H11-8 multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {11,S} -2 *2 C u1 p0 c0 {1,S} {5,S} {6,S} -3 C u0 p0 c0 {1,S} {7,D} {12,S} -4 C u0 p0 c0 {1,S} {8,D} {13,S} -5 C u0 p0 c0 {2,S} {9,D} {14,S} -6 C u0 p0 c0 {2,S} {10,D} {15,S} -7 C u0 p0 c0 {3,D} {8,S} {16,S} -8 C u0 p0 c0 {4,D} {7,S} {17,S} -9 C u0 p0 c0 {5,D} {10,S} {18,S} -10 C u0 p0 c0 {6,D} {9,S} {19,S} -11 *3 H u0 p0 c0 {1,S} +1 C u0 p0 c0 {2,S} {3,S} {10,S} {11,S} +2 *1 C u0 p0 c0 {1,S} {9,S} {12,S} {13,S} +3 C u0 p0 c0 {1,S} {4,B} {5,B} +4 C u0 p0 c0 {3,B} {6,B} {14,S} +5 C u0 p0 c0 {3,B} {7,B} {15,S} +6 C u0 p0 c0 {4,B} {8,B} {16,S} +7 C u0 p0 c0 {5,B} {8,B} {17,S} +8 C u0 p0 c0 {6,B} {7,B} {18,S} +9 *2 C u1 p0 c0 {2,S} {19,S} {20,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {2,S} +13 *3 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {6,S} +17 H u0 p0 c0 {7,S} +18 H u0 p0 c0 {8,S} +19 H u0 p0 c0 {9,S} +20 H u0 p0 c0 {9,S} + +C9H10-4 +1 C u0 p0 c0 {2,S} {3,S} {10,S} {11,S} +2 C u0 p0 c0 {1,S} {4,B} {5,B} +3 *1 C u0 p0 c0 {1,S} {9,D} {12,S} +4 C u0 p0 c0 {2,B} {6,B} {13,S} +5 C u0 p0 c0 {2,B} {7,B} {14,S} +6 C u0 p0 c0 {4,B} {8,B} {15,S} +7 C u0 p0 c0 {5,B} {8,B} {16,S} +8 C u0 p0 c0 {6,B} {7,B} {17,S} +9 *2 C u0 p0 c0 {3,D} {18,S} {19,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {1,S} 12 H u0 p0 c0 {3,S} 13 H u0 p0 c0 {4,S} 14 H u0 p0 c0 {5,S} @@ -2550,296 +3006,298 @@ multiplicity 2 16 H u0 p0 c0 {7,S} 17 H u0 p0 c0 {8,S} 18 H u0 p0 c0 {9,S} -19 H u0 p0 c0 {10,S} - -C10H8 -1 *1 C u0 p0 c0 {2,D} {3,S} {4,S} -2 *2 C u0 p0 c0 {1,D} {5,S} {6,S} -3 C u0 p0 c0 {1,S} {7,D} {11,S} -4 C u0 p0 c0 {1,S} {8,D} {12,S} -5 C u0 p0 c0 {2,S} {9,D} {13,S} -6 C u0 p0 c0 {2,S} {10,D} {14,S} -7 C u0 p0 c0 {3,D} {8,S} {15,S} -8 C u0 p0 c0 {4,D} {7,S} {16,S} -9 C u0 p0 c0 {5,D} {10,S} {17,S} -10 C u0 p0 c0 {6,D} {9,S} {18,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {8,S} -17 H u0 p0 c0 {9,S} -18 H u0 p0 c0 {10,S} +19 H u0 p0 c0 {9,S} -C5H5 +C9H11-9 multiplicity 2 -1 *3 C u1 p0 c0 {2,S} {3,S} {6,S} -2 C u0 p0 c0 {1,S} {4,D} {7,S} -3 C u0 p0 c0 {1,S} {5,D} {8,S} -4 C u0 p0 c0 {2,D} {5,S} {9,S} -5 C u0 p0 c0 {3,D} {4,S} {10,S} -6 H u0 p0 c0 {1,S} -7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {4,S} -10 H u0 p0 c0 {5,S} +1 *1 C u0 p0 c0 {2,S} {5,S} {6,S} {10,S} +2 C u0 p0 c0 {1,S} {3,S} {13,S} {14,S} +3 C u0 p0 c0 {2,S} {4,S} {11,S} {12,S} +4 C u0 p0 c0 {3,S} {5,S} {15,S} {16,S} +5 C u0 p0 c0 {1,S} {4,S} {7,D} +6 *2 C u1 p0 c0 {1,S} {8,S} {17,S} +7 C u0 p0 c0 {5,D} {9,S} {20,S} +8 C u0 p0 c0 {6,S} {9,D} {18,S} +9 C u0 p0 c0 {7,S} {8,D} {19,S} +10 *3 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {6,S} +18 H u0 p0 c0 {8,S} +19 H u0 p0 c0 {9,S} +20 H u0 p0 c0 {7,S} -C5H6 -1 C u0 p0 c0 {2,S} {3,S} {6,S} {7,S} -2 *2 C u0 p0 c0 {1,S} {4,D} {8,S} -3 C u0 p0 c0 {1,S} {5,D} {9,S} -4 *1 C u0 p0 c0 {2,D} {5,S} {10,S} -5 C u0 p0 c0 {3,D} {4,S} {11,S} -6 H u0 p0 c0 {1,S} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {3,S} -10 H u0 p0 c0 {4,S} -11 H u0 p0 c0 {5,S} +C9H10-5 +1 C u0 p0 c0 {2,S} {3,S} {10,S} {11,S} +2 C u0 p0 c0 {1,S} {4,S} {12,S} {13,S} +3 C u0 p0 c0 {1,S} {5,S} {14,S} {15,S} +4 *1 C u0 p0 c0 {2,S} {5,B} {6,B} +5 C u0 p0 c0 {3,S} {4,B} {7,B} +6 *2 C u0 p0 c0 {4,B} {8,B} {16,S} +7 C u0 p0 c0 {5,B} {9,B} {19,S} +8 C u0 p0 c0 {6,B} {9,B} {17,S} +9 C u0 p0 c0 {7,B} {8,B} {18,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {6,S} +17 H u0 p0 c0 {8,S} +18 H u0 p0 c0 {9,S} +19 H u0 p0 c0 {7,S} -C5H7 +C9H11-10 multiplicity 2 -1 *3 C u0 p0 c0 {2,S} {3,S} {6,S} {7,S} -2 C u0 p0 c0 {1,S} {4,D} {8,S} -3 *1 C u0 p0 c0 {1,S} {5,D} {9,S} -4 C u0 p0 c0 {2,D} {10,S} {11,S} -5 *2 C u1 p0 c0 {3,D} {12,S} -6 H u0 p0 c0 {1,S} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {3,S} -10 H u0 p0 c0 {4,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {5,S} +1 C u0 p0 c0 {3,S} {5,S} {10,S} {11,S} +2 *1 C u0 p0 c0 {3,S} {4,S} {12,S} {13,S} +3 C u0 p0 c0 {1,S} {2,S} {6,D} +4 *2 C u1 p0 c0 {2,S} {7,S} {15,S} +5 C u0 p0 c0 {1,S} {9,D} {14,S} +6 C u0 p0 c0 {3,D} {8,S} {16,S} +7 C u0 p0 c0 {4,S} {8,D} {18,S} +8 C u0 p0 c0 {6,S} {7,D} {17,S} +9 C u0 p0 c0 {5,D} {19,S} {20,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {2,S} +13 *3 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {6,S} +17 H u0 p0 c0 {8,S} +18 H u0 p0 c0 {7,S} +19 H u0 p0 c0 {9,S} +20 H u0 p0 c0 {9,S} -C9H8-14 -1 C u0 p0 c0 {2,S} {8,S} {10,S} {11,S} -2 C u0 p0 c0 {1,S} {3,B} {4,B} -3 C u0 p0 c0 {2,B} {5,B} {12,S} -4 C u0 p0 c0 {2,B} {7,B} {16,S} -5 C u0 p0 c0 {3,B} {6,B} {13,S} -6 C u0 p0 c0 {5,B} {7,B} {14,S} -7 C u0 p0 c0 {4,B} {6,B} {15,S} -8 *1 C u0 p0 c0 {1,S} {9,T} -9 *2 C u0 p0 c0 {8,T} {17,S} +C9H10-6 +1 C u0 p0 c0 {2,S} {3,S} {10,S} {11,S} +2 C u0 p0 c0 {1,S} {4,B} {5,B} +3 C u0 p0 c0 {1,S} {9,D} {12,S} +4 *1 C u0 p0 c0 {2,B} {6,B} {13,S} +5 C u0 p0 c0 {2,B} {7,B} {14,S} +6 *2 C u0 p0 c0 {4,B} {8,B} {15,S} +7 C u0 p0 c0 {5,B} {8,B} {16,S} +8 C u0 p0 c0 {6,B} {7,B} {17,S} +9 C u0 p0 c0 {3,D} {18,S} {19,S} 10 H u0 p0 c0 {1,S} 11 H u0 p0 c0 {1,S} 12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {9,S} - -C9H8-11 -1 C u0 p0 c0 {2,B} {3,B} {7,S} -2 C u0 p0 c0 {1,B} {4,B} {10,S} -3 C u0 p0 c0 {1,B} {5,B} {11,S} -4 C u0 p0 c0 {2,B} {6,B} {12,S} -5 C u0 p0 c0 {3,B} {6,B} {13,S} -6 C u0 p0 c0 {4,B} {5,B} {14,S} -7 *2 C u0 p0 c0 {1,S} {9,D} {15,S} -8 C u0 p0 c0 {9,D} {16,S} {17,S} -9 *1 C u0 p0 c0 {7,D} {8,D} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {8,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {6,S} +16 H u0 p0 c0 {7,S} 17 H u0 p0 c0 {8,S} +18 H u0 p0 c0 {9,S} +19 H u0 p0 c0 {9,S} -C9H8-10 -1 C u0 p0 c0 {2,B} {3,B} {7,S} -2 C u0 p0 c0 {1,B} {4,B} {10,S} -3 C u0 p0 c0 {1,B} {5,B} {11,S} -4 C u0 p0 c0 {2,B} {6,B} {12,S} -5 C u0 p0 c0 {3,B} {6,B} {13,S} -6 C u0 p0 c0 {4,B} {5,B} {14,S} -7 C u0 p0 c0 {1,S} {9,D} {15,S} -8 *1 C u0 p0 c0 {9,D} {16,S} {17,S} -9 *2 C u0 p0 c0 {7,D} {8,D} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {8,S} -17 H u0 p0 c0 {8,S} +C9H11-11 +multiplicity 2 +1 *1 C u0 p0 c0 {2,S} {4,S} {10,S} {11,S} +2 C u0 p0 c0 {1,S} {12,S} {13,S} {14,S} +3 C u0 p0 c0 {4,S} {5,B} {6,B} +4 *2 C u1 p0 c0 {1,S} {3,S} {15,S} +5 C u0 p0 c0 {3,B} {7,B} {16,S} +6 C u0 p0 c0 {3,B} {9,B} {18,S} +7 C u0 p0 c0 {5,B} {8,B} {17,S} +8 C u0 p0 c0 {7,B} {9,B} {19,S} +9 C u0 p0 c0 {6,B} {8,B} {20,S} +10 H u0 p0 c0 {1,S} +11 *3 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {5,S} +17 H u0 p0 c0 {7,S} +18 H u0 p0 c0 {6,S} +19 H u0 p0 c0 {8,S} +20 H u0 p0 c0 {9,S} -C9H8-13 -1 C u0 p0 c0 {2,S} {8,S} {10,S} {11,S} -2 C u0 p0 c0 {1,S} {3,B} {4,B} -3 C u0 p0 c0 {2,B} {5,B} {12,S} -4 C u0 p0 c0 {2,B} {7,B} {16,S} -5 C u0 p0 c0 {3,B} {6,B} {13,S} -6 C u0 p0 c0 {5,B} {7,B} {14,S} -7 C u0 p0 c0 {4,B} {6,B} {15,S} -8 *2 C u0 p0 c0 {1,S} {9,T} -9 *1 C u0 p0 c0 {8,T} {17,S} +C9H10-7 +1 C u0 p0 c0 {3,S} {10,S} {11,S} {12,S} +2 C u0 p0 c0 {4,S} {5,B} {6,B} +3 *1 C u0 p0 c0 {1,S} {4,D} {13,S} +4 *2 C u0 p0 c0 {2,S} {3,D} {17,S} +5 C u0 p0 c0 {2,B} {7,B} {14,S} +6 C u0 p0 c0 {2,B} {9,B} {16,S} +7 C u0 p0 c0 {5,B} {8,B} {15,S} +8 C u0 p0 c0 {7,B} {9,B} {18,S} +9 C u0 p0 c0 {6,B} {8,B} {19,S} 10 H u0 p0 c0 {1,S} 11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {6,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {5,S} 15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {6,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {8,S} +19 H u0 p0 c0 {9,S} + +C9H11-12 +multiplicity 2 +1 *1 C u0 p0 c0 {3,S} {4,S} {5,S} {10,S} +2 C u0 p0 c0 {3,S} {5,S} {6,S} {11,S} +3 C u0 p0 c0 {1,S} {2,S} {12,S} {13,S} +4 *3 C u0 p0 c0 {1,S} {14,S} {15,S} {16,S} +5 *2 C u1 p0 c0 {1,S} {2,S} {7,S} +6 C u0 p0 c0 {2,S} {8,D} {17,S} +7 C u0 p0 c0 {5,S} {9,D} {20,S} +8 C u0 p0 c0 {6,D} {9,S} {18,S} +9 C u0 p0 c0 {7,D} {8,S} {19,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {4,S} 16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {9,S} +17 H u0 p0 c0 {6,S} +18 H u0 p0 c0 {8,S} +19 H u0 p0 c0 {9,S} +20 H u0 p0 c0 {7,S} -C9H8-12 -1 C u0 p0 c0 {2,B} {3,B} {7,S} -2 C u0 p0 c0 {1,B} {4,B} {10,S} -3 C u0 p0 c0 {1,B} {5,B} {11,S} -4 C u0 p0 c0 {2,B} {6,B} {12,S} -5 C u0 p0 c0 {3,B} {6,B} {13,S} -6 C u0 p0 c0 {4,B} {5,B} {14,S} -7 *1 C u0 p0 c0 {1,S} {9,D} {15,S} -8 C u0 p0 c0 {9,D} {16,S} {17,S} -9 *2 C u0 p0 c0 {7,D} {8,D} +C8H8-3 +1 C u0 p0 c0 {2,S} {3,S} {5,S} {9,S} +2 C u0 p0 c0 {1,S} {4,S} {10,S} {11,S} +3 *2 C u0 p0 c0 {1,S} {4,D} {6,S} +4 *1 C u0 p0 c0 {2,S} {3,D} {13,S} +5 C u0 p0 c0 {1,S} {7,D} {12,S} +6 C u0 p0 c0 {3,S} {8,D} {16,S} +7 C u0 p0 c0 {5,D} {8,S} {14,S} +8 C u0 p0 c0 {6,D} {7,S} {15,S} +9 H u0 p0 c0 {1,S} 10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {8,S} -17 H u0 p0 c0 {8,S} - -CH2NH2 -multiplicity 2 -1 *1 N u0 p1 c0 {2,S} {5,S} {6,S} -2 *2 C u1 p0 c0 {1,S} {3,S} {4,S} -3 H u0 p0 c0 {2,S} -4 H u0 p0 c0 {2,S} -5 *3 H u0 p0 c0 {1,S} -6 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {5,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {8,S} +16 H u0 p0 c0 {6,S} -C5H7-2 +C9H11-13 multiplicity 2 -1 C u0 p0 c0 {3,S} {4,S} {6,S} {7,S} -2 *1 C u0 p0 c0 {3,S} {5,S} {8,S} {9,S} -3 *2 C u1 p0 c0 {1,S} {2,S} {10,S} -4 C u0 p0 c0 {1,S} {5,D} {11,S} -5 C u0 p0 c0 {2,S} {4,D} {12,S} -6 H u0 p0 c0 {1,S} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {2,S} -9 *3 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {3,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {5,S} +1 C u0 p0 c0 {3,S} {4,S} {5,S} {10,S} +2 *1 C u0 p0 c0 {3,S} {5,S} {6,S} {11,S} +3 C u0 p0 c0 {1,S} {2,S} {12,S} {13,S} +4 C u0 p0 c0 {1,S} {14,S} {15,S} {16,S} +5 C u0 p0 c0 {1,S} {2,S} {7,D} +6 *2 C u1 p0 c0 {2,S} {8,S} {17,S} +7 C u0 p0 c0 {5,D} {9,S} {20,S} +8 C u0 p0 c0 {6,S} {9,D} {18,S} +9 C u0 p0 c0 {7,S} {8,D} {19,S} +10 H u0 p0 c0 {1,S} +11 *3 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {6,S} +18 H u0 p0 c0 {8,S} +19 H u0 p0 c0 {9,S} +20 H u0 p0 c0 {7,S} -CH2NH -1 *1 N u0 p1 c0 {2,D} {5,S} -2 *2 C u0 p0 c0 {1,D} {3,S} {4,S} -3 H u0 p0 c0 {2,S} -4 H u0 p0 c0 {2,S} -5 H u0 p0 c0 {1,S} +C9H10-8 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {10,S} +2 C u0 p0 c0 {1,S} {5,S} {11,S} {12,S} +3 C u0 p0 c0 {1,S} {13,S} {14,S} {15,S} +4 C u0 p0 c0 {1,S} {5,B} {7,B} +5 *1 C u0 p0 c0 {2,S} {4,B} {6,B} +6 *2 C u0 p0 c0 {5,B} {8,B} {17,S} +7 C u0 p0 c0 {4,B} {9,B} {19,S} +8 C u0 p0 c0 {6,B} {9,B} {16,S} +9 C u0 p0 c0 {7,B} {8,B} {18,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {8,S} +17 H u0 p0 c0 {6,S} +18 H u0 p0 c0 {9,S} +19 H u0 p0 c0 {7,S} -C4H3-2 +C9H11-14 multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {3,D} {5,S} -2 C u0 p0 c0 {1,S} {4,T} -3 *2 C u1 p0 c0 {1,D} {6,S} -4 C u0 p0 c0 {2,T} {7,S} -5 *3 H u0 p0 c0 {1,S} -6 H u0 p0 c0 {3,S} -7 H u0 p0 c0 {4,S} +1 *1 C u0 p0 c0 {3,S} {4,S} {5,S} {10,S} +2 C u0 p0 c0 {3,S} {11,S} {12,S} {13,S} +3 C u0 p0 c0 {1,S} {2,S} {9,D} +4 *2 C u1 p0 c0 {1,S} {7,S} {15,S} +5 C u0 p0 c0 {1,S} {6,D} {14,S} +6 C u0 p0 c0 {5,D} {8,S} {16,S} +7 C u0 p0 c0 {4,S} {8,D} {17,S} +8 C u0 p0 c0 {6,S} {7,D} {18,S} +9 C u0 p0 c0 {3,D} {19,S} {20,S} +10 *3 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {6,S} +17 H u0 p0 c0 {7,S} +18 H u0 p0 c0 {8,S} +19 H u0 p0 c0 {9,S} +20 H u0 p0 c0 {9,S} -C6H9-9 -multiplicity 2 -1 C u0 p0 c0 {2,S} {4,S} {7,S} {8,S} -2 C u0 p0 c0 {1,S} {5,S} {9,S} {10,S} -3 *1 C u0 p0 c0 {4,S} {6,S} {11,S} {12,S} -4 *2 C u1 p0 c0 {1,S} {3,S} {13,S} -5 C u0 p0 c0 {2,S} {6,D} {14,S} -6 C u0 p0 c0 {3,S} {5,D} {15,S} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {3,S} -12 *3 H u0 p0 c0 {3,S} +C9H10-9 +1 C u0 p0 c0 {2,S} {10,S} {11,S} {12,S} +2 C u0 p0 c0 {1,S} {3,S} {9,D} +3 *1 C u0 p0 c0 {2,S} {4,B} {5,B} +4 C u0 p0 c0 {3,B} {6,B} {13,S} +5 *2 C u0 p0 c0 {3,B} {7,B} {14,S} +6 C u0 p0 c0 {4,B} {8,B} {15,S} +7 C u0 p0 c0 {5,B} {8,B} {16,S} +8 C u0 p0 c0 {6,B} {7,B} {17,S} +9 C u0 p0 c0 {2,D} {18,S} {19,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {1,S} 13 H u0 p0 c0 {4,S} 14 H u0 p0 c0 {5,S} 15 H u0 p0 c0 {6,S} +16 H u0 p0 c0 {7,S} +17 H u0 p0 c0 {8,S} +18 H u0 p0 c0 {9,S} +19 H u0 p0 c0 {9,S} -C6H9-8 -multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {3,S} {6,S} {7,S} -2 C u0 p0 c0 {1,S} {4,S} {8,S} {9,S} -3 C u0 p0 c0 {1,S} {5,S} {10,S} {11,S} -4 C u0 p0 c0 {2,S} {5,D} {12,S} -5 C u0 p0 c0 {3,S} {4,D} {13,S} -6 *2 C u1 p0 c0 {1,S} {14,S} {15,S} -7 *3 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {3,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {6,S} +C4H6 +1 *2 C u0 p0 c0 {2,S} {3,D} {5,S} +2 C u0 p0 c0 {1,S} {4,D} {6,S} +3 *1 C u0 p0 c0 {1,D} {7,S} {8,S} +4 C u0 p0 c0 {2,D} {9,S} {10,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {3,S} +8 H u0 p0 c0 {3,S} +9 H u0 p0 c0 {4,S} +10 H u0 p0 c0 {4,S} -C6H9-3 +C6H9-6 multiplicity 2 -1 *3 C u0 p0 c0 {3,S} {4,S} {7,S} {8,S} -2 C u0 p0 c0 {6,S} {9,S} {10,S} {11,S} -3 C u0 p0 c0 {1,S} {5,D} {12,S} -4 *1 C u0 p0 c0 {1,S} {6,D} {13,S} +1 *1 C u0 p0 c0 {2,S} {3,S} {7,S} {8,S} +2 *2 C u1 p0 c0 {1,S} {4,S} {9,S} +3 *3 C u0 p0 c0 {1,S} {5,D} {10,S} +4 C u0 p0 c0 {2,S} {6,D} {11,S} 5 C u0 p0 c0 {3,D} {14,S} {15,S} -6 *2 C u1 p0 c0 {2,S} {4,D} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {4,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {5,S} - -C6H9-2 -multiplicity 2 -1 C u0 p0 c0 {2,S} {4,S} {7,S} {8,S} -2 C u0 p0 c0 {1,S} {5,S} {9,S} {10,S} -3 *1 C u0 p0 c0 {4,S} {5,S} {11,S} {12,S} -4 C u0 p0 c0 {1,S} {3,S} {6,D} -5 *2 C u1 p0 c0 {2,S} {3,S} {13,S} -6 C u0 p0 c0 {4,D} {14,S} {15,S} +6 C u0 p0 c0 {4,D} {12,S} {13,S} 7 H u0 p0 c0 {1,S} 8 H u0 p0 c0 {1,S} 9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {3,S} -12 *3 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {6,S} - -methylpentenyl -multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {3,S} {5,S} {7,S} -2 *3 C u0 p0 c0 {1,S} {4,S} {8,S} {9,S} -3 C u0 p0 c0 {1,S} {10,S} {11,S} {12,S} -4 C u0 p0 c0 {2,S} {6,D} {13,S} -5 *2 C u1 p0 c0 {1,S} {14,S} {15,S} -6 C u0 p0 c0 {4,D} {16,S} {17,S} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {2,S} 10 H u0 p0 c0 {3,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {4,S} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {6,S} +13 H u0 p0 c0 {6,S} 14 H u0 p0 c0 {5,S} 15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {6,S} -17 H u0 p0 c0 {6,S} C6H9-7 multiplicity 2 @@ -2859,426 +3317,216 @@ multiplicity 2 14 H u0 p0 c0 {6,S} 15 H u0 p0 c0 {6,S} -C6H9-6 +C6H8-3 +1 *1 C u0 p0 c0 {2,D} {3,S} {8,S} +2 *2 C u0 p0 c0 {1,D} {4,S} {9,S} +3 C u0 p0 c0 {1,S} {5,D} {7,S} +4 C u0 p0 c0 {2,S} {6,D} {10,S} +5 C u0 p0 c0 {3,D} {11,S} {12,S} +6 C u0 p0 c0 {4,D} {13,S} {14,S} +7 H u0 p0 c0 {3,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {4,S} +11 H u0 p0 c0 {5,S} +12 H u0 p0 c0 {5,S} +13 H u0 p0 c0 {6,S} +14 H u0 p0 c0 {6,S} + +C6H9-8 multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {3,S} {7,S} {8,S} -2 *2 C u1 p0 c0 {1,S} {4,S} {9,S} -3 *3 C u0 p0 c0 {1,S} {5,D} {10,S} -4 C u0 p0 c0 {2,S} {6,D} {11,S} -5 C u0 p0 c0 {3,D} {14,S} {15,S} -6 C u0 p0 c0 {4,D} {12,S} {13,S} +1 *1 C u0 p0 c0 {2,S} {3,S} {6,S} {7,S} +2 C u0 p0 c0 {1,S} {4,S} {8,S} {9,S} +3 C u0 p0 c0 {1,S} {5,S} {10,S} {11,S} +4 C u0 p0 c0 {2,S} {5,D} {12,S} +5 C u0 p0 c0 {3,S} {4,D} {13,S} +6 *2 C u1 p0 c0 {1,S} {14,S} {15,S} +7 *3 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {6,S} + +C6H8-4 +1 C u0 p0 c0 {3,S} {4,S} {7,S} {8,S} +2 C u0 p0 c0 {3,S} {5,S} {9,S} {10,S} +3 *1 C u0 p0 c0 {1,S} {2,S} {6,D} +4 C u0 p0 c0 {1,S} {5,D} {11,S} +5 C u0 p0 c0 {2,S} {4,D} {12,S} +6 *2 C u0 p0 c0 {3,D} {13,S} {14,S} 7 H u0 p0 c0 {1,S} 8 H u0 p0 c0 {1,S} 9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {2,S} 11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {6,S} +12 H u0 p0 c0 {5,S} 13 H u0 p0 c0 {6,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {6,S} -C6H9-5 +C6H9-9 multiplicity 2 -1 *3 C u0 p0 c0 {2,S} {3,S} {7,S} {8,S} -2 *1 C u0 p0 c0 {1,S} {6,S} {9,S} {10,S} -3 C u0 p0 c0 {1,S} {4,D} {11,S} -4 C u0 p0 c0 {3,D} {12,S} {13,S} -5 C u0 p0 c0 {6,D} {14,S} {15,S} -6 *2 C u1 p0 c0 {2,S} {5,D} +1 C u0 p0 c0 {2,S} {4,S} {7,S} {8,S} +2 C u0 p0 c0 {1,S} {5,S} {9,S} {10,S} +3 *1 C u0 p0 c0 {4,S} {6,S} {11,S} {12,S} +4 *2 C u1 p0 c0 {1,S} {3,S} {13,S} +5 C u0 p0 c0 {2,S} {6,D} {14,S} +6 C u0 p0 c0 {3,S} {5,D} {15,S} 7 H u0 p0 c0 {1,S} 8 H u0 p0 c0 {1,S} 9 H u0 p0 c0 {2,S} 10 H u0 p0 c0 {2,S} 11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {4,S} +12 *3 H u0 p0 c0 {3,S} 13 H u0 p0 c0 {4,S} 14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {6,S} -C6H9-4 -multiplicity 2 -1 C u0 p0 c0 {4,S} {5,S} {7,S} {8,S} -2 *1 C u0 p0 c0 {5,S} {6,S} {9,S} {10,S} -3 C u0 p0 c0 {4,S} {11,S} {12,S} {13,S} -4 C u0 p0 c0 {1,S} {3,S} {6,D} -5 *2 C u1 p0 c0 {1,S} {2,S} {14,S} -6 C u0 p0 c0 {2,S} {4,D} {15,S} +C6H8-5 +1 C u0 p0 c0 {2,S} {3,S} {7,S} {8,S} +2 C u0 p0 c0 {1,S} {4,S} {9,S} {10,S} +3 *2 C u0 p0 c0 {1,S} {5,D} {11,S} +4 C u0 p0 c0 {2,S} {6,D} {12,S} +5 *1 C u0 p0 c0 {3,D} {6,S} {13,S} +6 C u0 p0 c0 {4,D} {5,S} {14,S} 7 H u0 p0 c0 {1,S} 8 H u0 p0 c0 {1,S} 9 H u0 p0 c0 {2,S} -10 *3 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} 11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {6,S} - -C6H6-4 -1 C u0 p0 c0 {2,S} {3,S} {6,D} -2 *1 C u0 p0 c0 {1,S} {4,D} {7,S} -3 C u0 p0 c0 {1,S} {5,D} {8,S} -4 *2 C u0 p0 c0 {2,D} {5,S} {9,S} -5 C u0 p0 c0 {3,D} {4,S} {10,S} -6 C u0 p0 c0 {1,D} {11,S} {12,S} -7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {4,S} -10 H u0 p0 c0 {5,S} -11 H u0 p0 c0 {6,S} -12 H u0 p0 c0 {6,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {6,S} -C6H6-5 -1 C u0 p0 c0 {2,S} {3,S} {6,D} -2 *2 C u0 p0 c0 {1,S} {4,D} {7,S} -3 C u0 p0 c0 {1,S} {5,D} {8,S} -4 *1 C u0 p0 c0 {2,D} {5,S} {9,S} -5 C u0 p0 c0 {3,D} {4,S} {10,S} -6 C u0 p0 c0 {1,D} {11,S} {12,S} +C6H9-10 +multiplicity 2 +1 *1 C u0 p0 c0 {2,S} {4,S} {9,S} {10,S} +2 C u0 p0 c0 {1,S} {5,S} {7,S} {8,S} +3 C u0 p0 c0 {4,S} {6,S} {11,S} {12,S} +4 *2 C u1 p0 c0 {1,S} {3,S} {13,S} +5 C u0 p0 c0 {2,S} {6,D} {14,S} +6 C u0 p0 c0 {3,S} {5,D} {15,S} 7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {4,S} -10 H u0 p0 c0 {5,S} -11 H u0 p0 c0 {6,S} -12 H u0 p0 c0 {6,S} - -C6H6-2 -1 *1 C u0 p0 c0 {2,B} {3,B} {7,S} -2 C u0 p0 c0 {1,B} {4,B} {8,S} -3 *2 C u0 p0 c0 {1,B} {5,B} {9,S} -4 C u0 p0 c0 {2,B} {6,B} {10,S} -5 C u0 p0 c0 {3,B} {6,B} {11,S} -6 C u0 p0 c0 {4,B} {5,B} {12,S} -7 H u0 p0 c0 {1,S} 8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {3,S} -10 H u0 p0 c0 {4,S} -11 H u0 p0 c0 {5,S} -12 H u0 p0 c0 {6,S} - -C6H6-3 -1 *1 C u0 p0 c0 {2,S} {3,S} {6,D} -2 C u0 p0 c0 {1,S} {4,D} {7,S} -3 C u0 p0 c0 {1,S} {5,D} {8,S} -4 C u0 p0 c0 {2,D} {5,S} {9,S} -5 C u0 p0 c0 {3,D} {4,S} {10,S} -6 *2 C u0 p0 c0 {1,D} {11,S} {12,S} -7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {4,S} -10 H u0 p0 c0 {5,S} -11 H u0 p0 c0 {6,S} -12 H u0 p0 c0 {6,S} +9 H u0 p0 c0 {1,S} +10 *3 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {6,S} -C4H9 -multiplicity 2 -1 C u0 p0 c0 {4,S} {5,S} {6,S} {7,S} -2 C u0 p0 c0 {4,S} {8,S} {9,S} {10,S} -3 C u0 p0 c0 {4,S} {11,S} {12,S} {13,S} -4 *3 C u1 p0 c0 {1,S} {2,S} {3,S} -5 H u0 p0 c0 {1,S} -6 H u0 p0 c0 {1,S} +C6H8-6 +1 C u0 p0 c0 {3,S} {5,S} {7,S} {8,S} +2 C u0 p0 c0 {4,S} {6,S} {9,S} {10,S} +3 *1 C u0 p0 c0 {1,S} {4,D} {11,S} +4 *2 C u0 p0 c0 {2,S} {3,D} {12,S} +5 C u0 p0 c0 {1,S} {6,D} {13,S} +6 C u0 p0 c0 {2,S} {5,D} {14,S} 7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {1,S} 9 H u0 p0 c0 {2,S} 10 H u0 p0 c0 {2,S} 11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {3,S} - -H -multiplicity 2 -1 *3 H u1 p0 c0 - -C3H5O-6 -multiplicity 2 -1 *3 O u0 p2 c0 {2,S} {9,S} -2 *1 C u0 p0 c0 {1,S} {4,S} {5,S} {6,S} -3 C u0 p0 c0 {4,D} {7,S} {8,S} -4 *2 C u1 p0 c0 {2,S} {3,D} -5 H u0 p0 c0 {2,S} -6 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {3,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {1,S} - -C3H5O-7 -multiplicity 2 -1 *3 O u0 p2 c0 {2,S} {9,S} -2 *1 C u0 p0 c0 {1,S} {3,S} {4,D} -3 *2 C u1 p0 c0 {2,S} {5,S} {6,S} -4 C u0 p0 c0 {2,D} {7,S} {8,S} -5 H u0 p0 c0 {3,S} -6 H u0 p0 c0 {3,S} -7 H u0 p0 c0 {4,S} -8 H u0 p0 c0 {4,S} -9 H u0 p0 c0 {1,S} - -C3H5O-4 -multiplicity 2 -1 *3 O u0 p2 c0 {3,S} {9,S} -2 C u0 p0 c0 {4,S} {5,S} {6,S} {7,S} -3 *1 C u0 p0 c0 {1,S} {4,D} {8,S} -4 *2 C u1 p0 c0 {2,S} {3,D} -5 H u0 p0 c0 {2,S} -6 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {1,S} - -C3H5O-5 -multiplicity 2 -1 *3 O u0 p2 c0 {3,S} {9,S} -2 C u0 p0 c0 {3,S} {5,S} {6,S} {7,S} -3 *1 C u0 p0 c0 {1,S} {2,S} {4,D} -4 *2 C u1 p0 c0 {3,D} {8,S} -5 H u0 p0 c0 {2,S} -6 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {4,S} -9 H u0 p0 c0 {1,S} - -C3H5O-2 -multiplicity 2 -1 O u0 p2 c0 {4,D} -2 *1 C u0 p0 c0 {3,S} {4,S} {5,S} {6,S} -3 *3 C u0 p0 c0 {2,S} {7,S} {8,S} {9,S} -4 *2 C u1 p0 c0 {1,D} {2,S} -5 H u0 p0 c0 {2,S} -6 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {3,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {3,S} - -C3H5O-3 -multiplicity 2 -1 O u0 p2 c0 {3,D} -2 *3 C u0 p0 c0 {3,S} {5,S} {6,S} {7,S} -3 *1 C u0 p0 c0 {1,D} {2,S} {4,S} -4 *2 C u1 p0 c0 {3,S} {8,S} {9,S} -5 H u0 p0 c0 {2,S} -6 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {4,S} -9 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {6,S} -C6H11 +C6H9-11 multiplicity 2 -1 *3 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} -2 C u0 p0 c0 {1,S} {7,S} {8,S} {9,S} -3 C u0 p0 c0 {1,S} {10,S} {11,S} {12,S} -4 C u0 p0 c0 {1,S} {13,S} {14,S} {15,S} -5 *1 C u0 p0 c0 {1,S} {6,D} {16,S} -6 *2 C u1 p0 c0 {5,D} {17,S} -7 H u0 p0 c0 {2,S} +1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {7,S} +2 C u0 p0 c0 {1,S} {5,S} {8,S} {9,S} +3 *3 C u0 p0 c0 {1,S} {10,S} {11,S} {12,S} +4 *2 C u1 p0 c0 {1,S} {6,S} {14,S} +5 C u0 p0 c0 {2,S} {6,D} {13,S} +6 C u0 p0 c0 {4,S} {5,D} {15,S} +7 H u0 p0 c0 {1,S} 8 H u0 p0 c0 {2,S} 9 H u0 p0 c0 {2,S} 10 H u0 p0 c0 {3,S} 11 H u0 p0 c0 {3,S} 12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {5,S} 14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {5,S} -17 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {6,S} -C3H4 -1 *2 C u0 p0 c0 {3,D} {4,S} {5,S} -2 C u0 p0 c0 {3,D} {6,S} {7,S} -3 *1 C u0 p0 c0 {1,D} {2,D} -4 H u0 p0 c0 {1,S} +C4H4 +1 *2 C u0 p0 c0 {2,D} {3,S} {5,S} +2 *1 C u0 p0 c0 {1,D} {6,S} {7,S} +3 C u0 p0 c0 {1,S} {4,T} +4 C u0 p0 c0 {3,T} {8,S} 5 H u0 p0 c0 {1,S} 6 H u0 p0 c0 {2,S} 7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {4,S} -C3H3 +C10H9-5 multiplicity 2 -1 *3 C u1 p0 c0 {2,S} {4,S} {5,S} -2 C u0 p0 c0 {1,S} {3,T} -3 C u0 p0 c0 {2,T} {6,S} -4 H u0 p0 c0 {1,S} -5 H u0 p0 c0 {1,S} -6 H u0 p0 c0 {3,S} - -C10H8-26 -1 C u0 p0 c0 {2,B} {3,S} {6,B} -2 C u0 p0 c0 {1,B} {5,S} {7,B} -3 C u0 p0 c0 {1,S} {4,S} {10,D} -4 *2 C u0 p0 c0 {3,S} {5,D} {11,S} -5 *1 C u0 p0 c0 {2,S} {4,D} {12,S} -6 C u0 p0 c0 {1,B} {8,B} {13,S} -7 C u0 p0 c0 {2,B} {9,B} {15,S} -8 C u0 p0 c0 {6,B} {9,B} {14,S} -9 C u0 p0 c0 {7,B} {8,B} {16,S} -10 C u0 p0 c0 {3,D} {17,S} {18,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {5,S} -13 H u0 p0 c0 {6,S} -14 H u0 p0 c0 {8,S} -15 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {9,S} -17 H u0 p0 c0 {10,S} -18 H u0 p0 c0 {10,S} - -C10H8-25 -1 *2 C u0 p0 c0 {2,S} {4,D} {6,S} -2 C u0 p0 c0 {1,S} {5,D} {7,S} -3 C u0 p0 c0 {4,S} {5,S} {10,D} -4 *1 C u0 p0 c0 {1,D} {3,S} {11,S} -5 C u0 p0 c0 {2,D} {3,S} {12,S} -6 C u0 p0 c0 {1,S} {8,D} {13,S} -7 C u0 p0 c0 {2,S} {9,D} {14,S} -8 C u0 p0 c0 {6,D} {9,S} {15,S} -9 C u0 p0 c0 {7,D} {8,S} {16,S} -10 C u0 p0 c0 {3,D} {17,S} {18,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {5,S} -13 H u0 p0 c0 {6,S} -14 H u0 p0 c0 {7,S} -15 H u0 p0 c0 {8,S} -16 H u0 p0 c0 {9,S} -17 H u0 p0 c0 {10,S} -18 H u0 p0 c0 {10,S} - -C10H8-24 -1 C u0 p0 c0 {2,S} {4,D} {6,S} -2 C u0 p0 c0 {1,S} {5,D} {7,S} -3 *2 C u0 p0 c0 {4,S} {5,S} {10,D} -4 C u0 p0 c0 {1,D} {3,S} {11,S} -5 C u0 p0 c0 {2,D} {3,S} {13,S} -6 C u0 p0 c0 {1,S} {8,D} {12,S} -7 C u0 p0 c0 {2,S} {9,D} {15,S} -8 C u0 p0 c0 {6,D} {9,S} {14,S} -9 C u0 p0 c0 {7,D} {8,S} {16,S} -10 *1 C u0 p0 c0 {3,D} {17,S} {18,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {6,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {8,S} +1 *1 C u0 p0 c0 {2,S} {8,S} {11,S} {12,S} +2 *3 C u0 p0 c0 {1,S} {3,B} {4,B} +3 C u0 p0 c0 {2,B} {6,B} {17,S} +4 C u0 p0 c0 {2,B} {7,B} {18,S} +5 C u0 p0 c0 {6,B} {7,B} {16,S} +6 C u0 p0 c0 {3,B} {5,B} {14,S} +7 C u0 p0 c0 {4,B} {5,B} {15,S} +8 *2 C u1 p0 c0 {1,S} {9,S} {13,S} +9 C u0 p0 c0 {8,S} {10,T} +10 C u0 p0 c0 {9,T} {19,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {8,S} +14 H u0 p0 c0 {6,S} 15 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {9,S} -17 H u0 p0 c0 {10,S} -18 H u0 p0 c0 {10,S} +16 H u0 p0 c0 {5,S} +17 H u0 p0 c0 {3,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {10,S} -C10H8-23 -1 C u0 p0 c0 {2,B} {3,B} {4,B} -2 C u0 p0 c0 {1,B} {5,B} {6,B} -3 *1 C u0 p0 c0 {1,B} {7,B} {11,S} -4 C u0 p0 c0 {1,B} {9,B} {14,S} -5 C u0 p0 c0 {2,B} {8,B} {15,S} -6 C u0 p0 c0 {2,B} {10,B} {16,S} -7 *2 C u0 p0 c0 {3,B} {8,B} {12,S} -8 C u0 p0 c0 {5,B} {7,B} {13,S} -9 C u0 p0 c0 {4,B} {10,B} {17,S} -10 C u0 p0 c0 {6,B} {9,B} {18,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {7,S} -13 H u0 p0 c0 {8,S} +C10H9-6 +multiplicity 2 +1 *1 C u0 p0 c0 {2,S} {8,S} {11,S} {12,S} +2 C u0 p0 c0 {1,S} {3,B} {4,B} +3 C u0 p0 c0 {2,B} {5,B} {13,S} +4 C u0 p0 c0 {2,B} {6,B} {14,S} +5 C u0 p0 c0 {3,B} {7,B} {15,S} +6 C u0 p0 c0 {4,B} {7,B} {16,S} +7 C u0 p0 c0 {5,B} {6,B} {17,S} +8 *2 C u1 p0 c0 {1,S} {9,S} {18,S} +9 C u0 p0 c0 {8,S} {10,T} +10 C u0 p0 c0 {9,T} {19,S} +11 H u0 p0 c0 {1,S} +12 *3 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {3,S} 14 H u0 p0 c0 {4,S} 15 H u0 p0 c0 {5,S} 16 H u0 p0 c0 {6,S} -17 H u0 p0 c0 {9,S} -18 H u0 p0 c0 {10,S} - -C10H8-22 -1 C u0 p0 c0 {2,S} {4,D} {6,S} -2 C u0 p0 c0 {1,S} {5,D} {7,S} -3 *1 C u0 p0 c0 {4,S} {5,S} {10,D} -4 C u0 p0 c0 {1,D} {3,S} {11,S} -5 C u0 p0 c0 {2,D} {3,S} {12,S} -6 C u0 p0 c0 {1,S} {8,D} {13,S} -7 C u0 p0 c0 {2,S} {9,D} {14,S} -8 C u0 p0 c0 {6,D} {9,S} {15,S} -9 C u0 p0 c0 {7,D} {8,S} {16,S} -10 *2 C u0 p0 c0 {3,D} {17,S} {18,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {5,S} -13 H u0 p0 c0 {6,S} -14 H u0 p0 c0 {7,S} -15 H u0 p0 c0 {8,S} -16 H u0 p0 c0 {9,S} -17 H u0 p0 c0 {10,S} -18 H u0 p0 c0 {10,S} - -C10H8-21 -1 *2 C u0 p0 c0 {2,S} {3,S} {9,D} -2 C u0 p0 c0 {1,S} {4,S} {10,D} -3 C u0 p0 c0 {1,S} {5,D} {11,S} -4 C u0 p0 c0 {2,S} {6,D} {12,S} -5 C u0 p0 c0 {3,D} {6,S} {13,S} -6 C u0 p0 c0 {4,D} {5,S} {14,S} -7 C u0 p0 c0 {9,D} {15,S} {16,S} -8 C u0 p0 c0 {10,D} {17,S} {18,S} -9 *1 C u0 p0 c0 {1,D} {7,D} -10 C u0 p0 c0 {2,D} {8,D} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {7,S} -17 H u0 p0 c0 {8,S} +17 H u0 p0 c0 {7,S} 18 H u0 p0 c0 {8,S} +19 H u0 p0 c0 {10,S} + +C10H8-5 +1 C u0 p0 c0 {2,B} {3,B} {4,S} +2 C u0 p0 c0 {1,B} {5,B} {12,S} +3 C u0 p0 c0 {1,B} {6,B} {13,S} +4 *1 C u0 p0 c0 {1,S} {8,D} {11,S} +5 C u0 p0 c0 {2,B} {7,B} {14,S} +6 C u0 p0 c0 {3,B} {7,B} {15,S} +7 C u0 p0 c0 {5,B} {6,B} {16,S} +8 *2 C u0 p0 c0 {4,D} {9,S} {17,S} +9 C u0 p0 c0 {8,S} {10,T} +10 C u0 p0 c0 {9,T} {18,S} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {6,S} +16 H u0 p0 c0 {7,S} +17 H u0 p0 c0 {8,S} +18 H u0 p0 c0 {10,S} -C10H8-20 -1 C u0 p0 c0 {2,B} {3,S} {6,B} -2 C u0 p0 c0 {1,B} {5,S} {7,B} -3 C u0 p0 c0 {1,S} {4,S} {10,D} -4 *1 C u0 p0 c0 {3,S} {5,D} {11,S} -5 *2 C u0 p0 c0 {2,S} {4,D} {12,S} -6 C u0 p0 c0 {1,B} {8,B} {13,S} -7 C u0 p0 c0 {2,B} {9,B} {15,S} -8 C u0 p0 c0 {6,B} {9,B} {14,S} -9 C u0 p0 c0 {7,B} {8,B} {16,S} -10 C u0 p0 c0 {3,D} {17,S} {18,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {5,S} -13 H u0 p0 c0 {6,S} -14 H u0 p0 c0 {8,S} -15 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {9,S} -17 H u0 p0 c0 {10,S} -18 H u0 p0 c0 {10,S} - -C4H4-4 -1 *1 C u0 p0 c0 {2,D} {3,S} {5,S} -2 *2 C u0 p0 c0 {1,D} {6,S} {7,S} -3 C u0 p0 c0 {1,S} {4,T} -4 C u0 p0 c0 {3,T} {8,S} -5 H u0 p0 c0 {1,S} -6 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {4,S} - -C4H4-5 -1 *2 C u0 p0 c0 {2,S} {3,S} {4,D} -2 C u0 p0 c0 {1,S} {3,D} {5,S} -3 C u0 p0 c0 {1,S} {2,D} {6,S} -4 *1 C u0 p0 c0 {1,D} {7,S} {8,S} -5 H u0 p0 c0 {2,S} -6 H u0 p0 c0 {3,S} -7 H u0 p0 c0 {4,S} -8 H u0 p0 c0 {4,S} - -C4H4-6 -1 C u0 p0 c0 {2,S} {3,S} {4,D} -2 *1 C u0 p0 c0 {1,S} {3,D} {5,S} -3 *2 C u0 p0 c0 {1,S} {2,D} {6,S} -4 C u0 p0 c0 {1,D} {7,S} {8,S} -5 H u0 p0 c0 {2,S} -6 H u0 p0 c0 {3,S} -7 H u0 p0 c0 {4,S} -8 H u0 p0 c0 {4,S} - -C4H4-7 -1 C u0 p0 c0 {3,D} {5,S} {6,S} -2 C u0 p0 c0 {4,D} {7,S} {8,S} -3 *1 C u0 p0 c0 {1,D} {4,D} -4 *2 C u0 p0 c0 {2,D} {3,D} -5 H u0 p0 c0 {1,S} -6 H u0 p0 c0 {1,S} -7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {2,S} - C4H4-2 1 C u0 p0 c0 {2,D} {3,S} {5,S} 2 C u0 p0 c0 {1,D} {6,S} {7,S} @@ -3289,6 +3537,28 @@ C4H4-2 7 H u0 p0 c0 {2,S} 8 H u0 p0 c0 {4,S} +C10H9-7 +multiplicity 2 +1 *3 C u0 p0 c0 {2,S} {3,B} {4,B} +2 *1 C u0 p0 c0 {1,S} {8,S} {10,D} +3 C u0 p0 c0 {1,B} {6,B} {15,S} +4 C u0 p0 c0 {1,B} {7,B} {16,S} +5 C u0 p0 c0 {6,B} {7,B} {14,S} +6 C u0 p0 c0 {3,B} {5,B} {12,S} +7 C u0 p0 c0 {4,B} {5,B} {13,S} +8 C u0 p0 c0 {2,S} {9,D} {11,S} +9 C u0 p0 c0 {8,D} {17,S} {18,S} +10 *2 C u1 p0 c0 {2,D} {19,S} +11 H u0 p0 c0 {8,S} +12 H u0 p0 c0 {6,S} +13 H u0 p0 c0 {7,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {9,S} +18 H u0 p0 c0 {9,S} +19 H u0 p0 c0 {10,S} + C4H4-3 1 C u0 p0 c0 {2,D} {3,S} {5,S} 2 C u0 p0 c0 {1,D} {6,S} {7,S} @@ -3299,198 +3569,51 @@ C4H4-3 7 H u0 p0 c0 {2,S} 8 H u0 p0 c0 {4,S} -CH2O -1 *2 O u0 p2 c0 {2,D} -2 *1 C u0 p0 c0 {1,D} {3,S} {4,S} -3 H u0 p0 c0 {2,S} -4 H u0 p0 c0 {2,S} - -C4H4-8 -1 *1 C u0 p0 c0 {3,D} {5,S} {6,S} -2 C u0 p0 c0 {4,D} {7,S} {8,S} -3 *2 C u0 p0 c0 {1,D} {4,D} -4 C u0 p0 c0 {2,D} {3,D} -5 H u0 p0 c0 {1,S} -6 H u0 p0 c0 {1,S} -7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {2,S} - -C10H9-24 +C10H9-8 multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {11,S} {12,S} {13,S} -2 *2 C u1 p0 c0 {1,S} {3,S} {5,S} -3 C u0 p0 c0 {2,S} {4,B} {8,B} -4 C u0 p0 c0 {3,B} {6,B} {7,S} -5 C u0 p0 c0 {2,S} {7,D} {19,S} -6 C u0 p0 c0 {4,B} {9,B} {14,S} -7 C u0 p0 c0 {4,S} {5,D} {17,S} -8 C u0 p0 c0 {3,B} {10,B} {18,S} -9 C u0 p0 c0 {6,B} {10,B} {15,S} -10 C u0 p0 c0 {8,B} {9,B} {16,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {1,S} -13 *3 H u0 p0 c0 {1,S} -14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {9,S} -16 H u0 p0 c0 {10,S} +1 *3 C u0 p0 c0 {2,B} {3,B} {7,S} +2 C u0 p0 c0 {1,B} {5,B} {14,S} +3 C u0 p0 c0 {1,B} {6,B} {15,S} +4 C u0 p0 c0 {5,B} {6,B} {13,S} +5 C u0 p0 c0 {2,B} {4,B} {11,S} +6 C u0 p0 c0 {3,B} {4,B} {12,S} +7 *1 C u0 p0 c0 {1,S} {10,D} {17,S} +8 C u0 p0 c0 {9,D} {10,S} {16,S} +9 C u0 p0 c0 {8,D} {18,S} {19,S} +10 *2 C u1 p0 c0 {7,D} {8,S} +11 H u0 p0 c0 {5,S} +12 H u0 p0 c0 {6,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {8,S} 17 H u0 p0 c0 {7,S} -18 H u0 p0 c0 {8,S} -19 H u0 p0 c0 {5,S} - -C9H8-3 -1 C u0 p0 c0 {2,S} {4,S} {10,S} {11,S} -2 *2 C u0 p0 c0 {1,S} {3,B} {6,B} -3 C u0 p0 c0 {2,B} {5,S} {7,B} -4 C u0 p0 c0 {1,S} {5,D} {12,S} -5 C u0 p0 c0 {3,S} {4,D} {13,S} -6 *1 C u0 p0 c0 {2,B} {8,B} {14,S} -7 C u0 p0 c0 {3,B} {9,B} {15,S} -8 C u0 p0 c0 {6,B} {9,B} {17,S} -9 C u0 p0 c0 {7,B} {8,B} {16,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {9,S} -17 H u0 p0 c0 {8,S} - -C9H8-2 -1 C u0 p0 c0 {2,S} {3,S} {4,S} {10,S} -2 C u0 p0 c0 {1,S} {5,S} {6,D} -3 C u0 p0 c0 {1,S} {7,D} {11,S} -4 *1 C u0 p0 c0 {1,S} {8,D} {12,S} -5 C u0 p0 c0 {2,S} {9,D} {15,S} -6 C u0 p0 c0 {2,D} {8,S} {16,S} -7 C u0 p0 c0 {3,D} {9,S} {14,S} -8 *2 C u0 p0 c0 {4,D} {6,S} {17,S} -9 C u0 p0 c0 {5,D} {7,S} {13,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {9,S} -14 H u0 p0 c0 {7,S} -15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {6,S} -17 H u0 p0 c0 {8,S} - -C9H8-5 -1 C u0 p0 c0 {2,S} {4,S} {10,S} {11,S} -2 C u0 p0 c0 {1,S} {3,B} {6,B} -3 C u0 p0 c0 {2,B} {5,S} {7,B} -4 *2 C u0 p0 c0 {1,S} {5,D} {12,S} -5 *1 C u0 p0 c0 {3,S} {4,D} {14,S} -6 C u0 p0 c0 {2,B} {9,B} {17,S} -7 C u0 p0 c0 {3,B} {8,B} {13,S} -8 C u0 p0 c0 {7,B} {9,B} {15,S} -9 C u0 p0 c0 {6,B} {8,B} {16,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {7,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {8,S} -16 H u0 p0 c0 {9,S} -17 H u0 p0 c0 {6,S} - -C9H8-4 -1 C u0 p0 c0 {2,S} {4,S} {10,S} {11,S} -2 *1 C u0 p0 c0 {1,S} {3,B} {6,B} -3 *2 C u0 p0 c0 {2,B} {5,S} {7,B} -4 C u0 p0 c0 {1,S} {5,D} {12,S} -5 C u0 p0 c0 {3,S} {4,D} {14,S} -6 C u0 p0 c0 {2,B} {9,B} {17,S} -7 C u0 p0 c0 {3,B} {8,B} {13,S} -8 C u0 p0 c0 {7,B} {9,B} {15,S} -9 C u0 p0 c0 {6,B} {8,B} {16,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {7,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {8,S} -16 H u0 p0 c0 {9,S} -17 H u0 p0 c0 {6,S} - -C9H8-7 -1 C u0 p0 c0 {2,S} {4,S} {10,S} {11,S} -2 *2 C u0 p0 c0 {1,S} {3,B} {6,B} -3 *1 C u0 p0 c0 {2,B} {5,S} {7,B} -4 C u0 p0 c0 {1,S} {5,D} {12,S} -5 C u0 p0 c0 {3,S} {4,D} {14,S} -6 C u0 p0 c0 {2,B} {9,B} {17,S} -7 C u0 p0 c0 {3,B} {8,B} {13,S} -8 C u0 p0 c0 {7,B} {9,B} {15,S} -9 C u0 p0 c0 {6,B} {8,B} {16,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {7,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {8,S} -16 H u0 p0 c0 {9,S} -17 H u0 p0 c0 {6,S} - -C9H8-6 -1 C u0 p0 c0 {2,S} {4,S} {10,S} {11,S} -2 C u0 p0 c0 {1,S} {3,B} {6,B} -3 C u0 p0 c0 {2,B} {5,S} {7,B} -4 *1 C u0 p0 c0 {1,S} {5,D} {12,S} -5 *2 C u0 p0 c0 {3,S} {4,D} {14,S} -6 C u0 p0 c0 {2,B} {9,B} {17,S} -7 C u0 p0 c0 {3,B} {8,B} {13,S} -8 C u0 p0 c0 {7,B} {9,B} {15,S} -9 C u0 p0 c0 {6,B} {8,B} {16,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {7,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {8,S} -16 H u0 p0 c0 {9,S} -17 H u0 p0 c0 {6,S} - -C9H8-9 -1 C u0 p0 c0 {8,S} {10,S} {11,S} {12,S} -2 C u0 p0 c0 {3,B} {4,B} {9,S} -3 C u0 p0 c0 {2,B} {5,B} {13,S} -4 C u0 p0 c0 {2,B} {7,B} {15,S} -5 C u0 p0 c0 {3,B} {6,B} {14,S} -6 C u0 p0 c0 {5,B} {7,B} {17,S} -7 C u0 p0 c0 {4,B} {6,B} {16,S} -8 *1 C u0 p0 c0 {1,S} {9,T} -9 *2 C u0 p0 c0 {2,S} {8,T} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {7,S} -17 H u0 p0 c0 {6,S} +18 H u0 p0 c0 {9,S} +19 H u0 p0 c0 {9,S} -C9H8-8 -1 C u0 p0 c0 {8,S} {10,S} {11,S} {12,S} -2 C u0 p0 c0 {3,B} {4,B} {9,S} -3 C u0 p0 c0 {2,B} {5,B} {13,S} -4 C u0 p0 c0 {2,B} {7,B} {15,S} -5 C u0 p0 c0 {3,B} {6,B} {14,S} -6 C u0 p0 c0 {5,B} {7,B} {17,S} -7 C u0 p0 c0 {4,B} {6,B} {16,S} -8 *2 C u0 p0 c0 {1,S} {9,T} -9 *1 C u0 p0 c0 {2,S} {8,T} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {1,S} +C10H9-9 +multiplicity 2 +1 C u0 p0 c0 {2,B} {3,B} {4,S} +2 C u0 p0 c0 {1,B} {5,B} {12,S} +3 C u0 p0 c0 {1,B} {6,B} {13,S} +4 C u0 p0 c0 {1,S} {8,D} {11,S} +5 C u0 p0 c0 {2,B} {7,B} {14,S} +6 C u0 p0 c0 {3,B} {7,B} {15,S} +7 C u0 p0 c0 {5,B} {6,B} {16,S} +8 C u0 p0 c0 {4,D} {9,S} {17,S} +9 *1 C u0 p0 c0 {8,S} {10,D} {18,S} +10 *2 C u1 p0 c0 {9,D} {19,S} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {2,S} 13 H u0 p0 c0 {3,S} 14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {6,S} 16 H u0 p0 c0 {7,S} -17 H u0 p0 c0 {6,S} +17 H u0 p0 c0 {8,S} +18 *3 H u0 p0 c0 {9,S} +19 H u0 p0 c0 {10,S} -C10H9-11 -multiplicity 2 +C10H8-6 1 C u0 p0 c0 {2,B} {3,B} {4,S} 2 C u0 p0 c0 {1,B} {5,B} {12,S} 3 C u0 p0 c0 {1,B} {6,B} {13,S} @@ -3498,9 +3621,9 @@ multiplicity 2 5 C u0 p0 c0 {2,B} {7,B} {14,S} 6 C u0 p0 c0 {3,B} {7,B} {15,S} 7 C u0 p0 c0 {5,B} {6,B} {16,S} -8 C u0 p0 c0 {4,D} {10,S} {17,S} -9 *1 C u0 p0 c0 {10,D} {18,S} {19,S} -10 *2 C u1 p0 c0 {8,S} {9,D} +8 C u0 p0 c0 {4,D} {9,S} {17,S} +9 *1 C u0 p0 c0 {8,S} {10,T} +10 *2 C u0 p0 c0 {9,T} {18,S} 11 H u0 p0 c0 {4,S} 12 H u0 p0 c0 {2,S} 13 H u0 p0 c0 {3,S} @@ -3508,8 +3631,7 @@ multiplicity 2 15 H u0 p0 c0 {6,S} 16 H u0 p0 c0 {7,S} 17 H u0 p0 c0 {8,S} -18 H u0 p0 c0 {9,S} -19 *3 H u0 p0 c0 {9,S} +18 H u0 p0 c0 {10,S} C10H9-10 multiplicity 2 @@ -3533,6 +3655,120 @@ multiplicity 2 18 H u0 p0 c0 {8,S} 19 H u0 p0 c0 {10,S} +C10H8-7 +1 C u0 p0 c0 {2,B} {3,B} {4,S} +2 C u0 p0 c0 {1,B} {5,B} {12,S} +3 C u0 p0 c0 {1,B} {6,B} {13,S} +4 *2 C u0 p0 c0 {1,S} {8,D} {11,S} +5 C u0 p0 c0 {2,B} {7,B} {14,S} +6 C u0 p0 c0 {3,B} {7,B} {15,S} +7 C u0 p0 c0 {5,B} {6,B} {16,S} +8 *1 C u0 p0 c0 {4,D} {9,S} {17,S} +9 C u0 p0 c0 {8,S} {10,T} +10 C u0 p0 c0 {9,T} {18,S} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {6,S} +16 H u0 p0 c0 {7,S} +17 H u0 p0 c0 {8,S} +18 H u0 p0 c0 {10,S} + +C10H9-11 +multiplicity 2 +1 C u0 p0 c0 {2,B} {3,B} {4,S} +2 C u0 p0 c0 {1,B} {5,B} {12,S} +3 C u0 p0 c0 {1,B} {6,B} {13,S} +4 C u0 p0 c0 {1,S} {8,D} {11,S} +5 C u0 p0 c0 {2,B} {7,B} {14,S} +6 C u0 p0 c0 {3,B} {7,B} {15,S} +7 C u0 p0 c0 {5,B} {6,B} {16,S} +8 C u0 p0 c0 {4,D} {10,S} {17,S} +9 *1 C u0 p0 c0 {10,D} {18,S} {19,S} +10 *2 C u1 p0 c0 {8,S} {9,D} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {6,S} +16 H u0 p0 c0 {7,S} +17 H u0 p0 c0 {8,S} +18 H u0 p0 c0 {9,S} +19 *3 H u0 p0 c0 {9,S} + +C10H8-8 +1 C u0 p0 c0 {2,B} {3,B} {4,S} +2 C u0 p0 c0 {1,B} {5,B} {12,S} +3 C u0 p0 c0 {1,B} {6,B} {13,S} +4 C u0 p0 c0 {1,S} {8,D} {11,S} +5 C u0 p0 c0 {2,B} {7,B} {14,S} +6 C u0 p0 c0 {3,B} {7,B} {15,S} +7 C u0 p0 c0 {5,B} {6,B} {16,S} +8 C u0 p0 c0 {4,D} {9,S} {17,S} +9 *2 C u0 p0 c0 {8,S} {10,T} +10 *1 C u0 p0 c0 {9,T} {18,S} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {6,S} +16 H u0 p0 c0 {7,S} +17 H u0 p0 c0 {8,S} +18 H u0 p0 c0 {10,S} + +C4H4-4 +1 *1 C u0 p0 c0 {2,D} {3,S} {5,S} +2 *2 C u0 p0 c0 {1,D} {6,S} {7,S} +3 C u0 p0 c0 {1,S} {4,T} +4 C u0 p0 c0 {3,T} {8,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {4,S} + +C10H9-12 +multiplicity 2 +1 *1 C u0 p0 c0 {2,S} {8,S} {9,S} {11,S} +2 *3 C u0 p0 c0 {1,S} {3,B} {4,B} +3 C u0 p0 c0 {2,B} {6,B} {15,S} +4 C u0 p0 c0 {2,B} {7,B} {16,S} +5 C u0 p0 c0 {6,B} {7,B} {14,S} +6 C u0 p0 c0 {3,B} {5,B} {12,S} +7 C u0 p0 c0 {4,B} {5,B} {13,S} +8 *2 C u1 p0 c0 {1,S} {17,S} {18,S} +9 C u0 p0 c0 {1,S} {10,T} +10 C u0 p0 c0 {9,T} {19,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {6,S} +13 H u0 p0 c0 {7,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {8,S} +18 H u0 p0 c0 {8,S} +19 H u0 p0 c0 {10,S} + +C10H8-9 +1 *2 C u0 p0 c0 {2,B} {3,B} {4,B} +2 C u0 p0 c0 {1,B} {5,B} {6,B} +3 *1 C u0 p0 c0 {1,B} {7,B} {11,S} +4 C u0 p0 c0 {1,B} {8,B} {12,S} +5 C u0 p0 c0 {2,B} {9,B} {13,S} +6 C u0 p0 c0 {2,B} {10,B} {14,S} +7 C u0 p0 c0 {3,B} {9,B} {15,S} +8 C u0 p0 c0 {4,B} {10,B} {16,S} +9 C u0 p0 c0 {5,B} {7,B} {17,S} +10 C u0 p0 c0 {6,B} {8,B} {18,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {8,S} +17 H u0 p0 c0 {9,S} +18 H u0 p0 c0 {10,S} + C10H9-13 multiplicity 2 1 *1 C u0 p0 c0 {2,S} {4,S} {11,S} {12,S} @@ -3555,27 +3791,67 @@ multiplicity 2 18 H u0 p0 c0 {8,S} 19 H u0 p0 c0 {10,S} -C10H9-12 +C10H8-10 +1 *1 C u0 p0 c0 {2,B} {3,B} {4,B} +2 *2 C u0 p0 c0 {1,B} {5,B} {6,B} +3 C u0 p0 c0 {1,B} {7,B} {11,S} +4 C u0 p0 c0 {1,B} {8,B} {12,S} +5 C u0 p0 c0 {2,B} {9,B} {13,S} +6 C u0 p0 c0 {2,B} {10,B} {14,S} +7 C u0 p0 c0 {3,B} {9,B} {15,S} +8 C u0 p0 c0 {4,B} {10,B} {16,S} +9 C u0 p0 c0 {5,B} {7,B} {17,S} +10 C u0 p0 c0 {6,B} {8,B} {18,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {8,S} +17 H u0 p0 c0 {9,S} +18 H u0 p0 c0 {10,S} + +C10H9-14 multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {8,S} {9,S} {11,S} -2 *3 C u0 p0 c0 {1,S} {3,B} {4,B} -3 C u0 p0 c0 {2,B} {6,B} {15,S} -4 C u0 p0 c0 {2,B} {7,B} {16,S} -5 C u0 p0 c0 {6,B} {7,B} {14,S} -6 C u0 p0 c0 {3,B} {5,B} {12,S} -7 C u0 p0 c0 {4,B} {5,B} {13,S} -8 *2 C u1 p0 c0 {1,S} {17,S} {18,S} -9 C u0 p0 c0 {1,S} {10,T} -10 C u0 p0 c0 {9,T} {19,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {6,S} -13 H u0 p0 c0 {7,S} +1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {11,S} +2 *2 C u1 p0 c0 {1,S} {5,S} {6,S} +3 C u0 p0 c0 {1,S} {7,D} {12,S} +4 C u0 p0 c0 {1,S} {8,D} {13,S} +5 C u0 p0 c0 {2,S} {9,D} {14,S} +6 C u0 p0 c0 {2,S} {10,D} {15,S} +7 C u0 p0 c0 {3,D} {9,S} {16,S} +8 C u0 p0 c0 {4,D} {10,S} {17,S} +9 C u0 p0 c0 {5,D} {7,S} {18,S} +10 C u0 p0 c0 {6,D} {8,S} {19,S} +11 *3 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {4,S} 14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {6,S} +16 H u0 p0 c0 {7,S} +17 H u0 p0 c0 {8,S} +18 H u0 p0 c0 {9,S} +19 H u0 p0 c0 {10,S} + +C10H8-11 +1 C u0 p0 c0 {2,B} {3,B} {9,S} +2 C u0 p0 c0 {1,B} {4,B} {11,S} +3 C u0 p0 c0 {1,B} {6,B} {15,S} +4 C u0 p0 c0 {2,B} {5,B} {12,S} +5 C u0 p0 c0 {4,B} {6,B} {13,S} +6 C u0 p0 c0 {3,B} {5,B} {14,S} +7 C u0 p0 c0 {8,D} {10,S} {16,S} +8 C u0 p0 c0 {7,D} {17,S} {18,S} +9 *1 C u0 p0 c0 {1,S} {10,T} +10 *2 C u0 p0 c0 {7,S} {9,T} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {6,S} 15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {7,S} 17 H u0 p0 c0 {8,S} 18 H u0 p0 c0 {8,S} -19 H u0 p0 c0 {10,S} C10H9-15 multiplicity 2 @@ -3599,27 +3875,67 @@ multiplicity 2 18 H u0 p0 c0 {9,S} 19 H u0 p0 c0 {9,S} -C10H9-14 +C10H8-12 +1 C u0 p0 c0 {2,B} {3,B} {9,S} +2 C u0 p0 c0 {1,B} {4,B} {11,S} +3 C u0 p0 c0 {1,B} {6,B} {15,S} +4 C u0 p0 c0 {2,B} {5,B} {12,S} +5 C u0 p0 c0 {4,B} {6,B} {13,S} +6 C u0 p0 c0 {3,B} {5,B} {14,S} +7 C u0 p0 c0 {8,D} {10,S} {16,S} +8 C u0 p0 c0 {7,D} {17,S} {18,S} +9 *2 C u0 p0 c0 {1,S} {10,T} +10 *1 C u0 p0 c0 {7,S} {9,T} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {7,S} +17 H u0 p0 c0 {8,S} +18 H u0 p0 c0 {8,S} + +C10H9-16 multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {11,S} -2 *2 C u1 p0 c0 {1,S} {5,S} {6,S} -3 C u0 p0 c0 {1,S} {7,D} {12,S} -4 C u0 p0 c0 {1,S} {8,D} {13,S} -5 C u0 p0 c0 {2,S} {9,D} {14,S} -6 C u0 p0 c0 {2,S} {10,D} {15,S} -7 C u0 p0 c0 {3,D} {9,S} {16,S} -8 C u0 p0 c0 {4,D} {10,S} {17,S} -9 C u0 p0 c0 {5,D} {7,S} {18,S} -10 C u0 p0 c0 {6,D} {8,S} {19,S} -11 *3 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {4,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {6,S} +1 C u0 p0 c0 {2,B} {3,B} {10,S} +2 C u0 p0 c0 {1,B} {4,B} {11,S} +3 C u0 p0 c0 {1,B} {6,B} {15,S} +4 C u0 p0 c0 {2,B} {5,B} {12,S} +5 C u0 p0 c0 {4,B} {6,B} {13,S} +6 C u0 p0 c0 {3,B} {5,B} {14,S} +7 C u0 p0 c0 {8,S} {9,D} {16,S} +8 *1 C u0 p0 c0 {7,S} {10,D} {17,S} +9 C u0 p0 c0 {7,D} {18,S} {19,S} +10 *2 C u1 p0 c0 {1,S} {8,D} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {3,S} 16 H u0 p0 c0 {7,S} -17 H u0 p0 c0 {8,S} +17 *3 H u0 p0 c0 {8,S} 18 H u0 p0 c0 {9,S} -19 H u0 p0 c0 {10,S} +19 H u0 p0 c0 {9,S} + +C10H8-13 +1 C u0 p0 c0 {2,B} {3,B} {7,S} +2 C u0 p0 c0 {1,B} {4,B} {11,S} +3 C u0 p0 c0 {1,B} {6,B} {15,S} +4 C u0 p0 c0 {2,B} {5,B} {12,S} +5 C u0 p0 c0 {4,B} {6,B} {13,S} +6 C u0 p0 c0 {3,B} {5,B} {14,S} +7 C u0 p0 c0 {1,S} {9,D} {16,S} +8 *2 C u0 p0 c0 {10,D} {17,S} {18,S} +9 C u0 p0 c0 {7,D} {10,D} +10 *1 C u0 p0 c0 {8,D} {9,D} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {7,S} +17 H u0 p0 c0 {8,S} +18 H u0 p0 c0 {8,S} C10H9-17 multiplicity 2 @@ -3643,49 +3959,25 @@ multiplicity 2 18 H u0 p0 c0 {9,S} 19 H u0 p0 c0 {9,S} -C10H9-16 -multiplicity 2 -1 C u0 p0 c0 {2,B} {3,B} {10,S} +C10H8-14 +1 C u0 p0 c0 {2,B} {3,B} {7,S} 2 C u0 p0 c0 {1,B} {4,B} {11,S} 3 C u0 p0 c0 {1,B} {6,B} {15,S} 4 C u0 p0 c0 {2,B} {5,B} {12,S} 5 C u0 p0 c0 {4,B} {6,B} {13,S} 6 C u0 p0 c0 {3,B} {5,B} {14,S} -7 C u0 p0 c0 {8,S} {9,D} {16,S} -8 *1 C u0 p0 c0 {7,S} {10,D} {17,S} -9 C u0 p0 c0 {7,D} {18,S} {19,S} -10 *2 C u1 p0 c0 {1,S} {8,D} +7 *2 C u0 p0 c0 {1,S} {9,D} {16,S} +8 C u0 p0 c0 {10,D} {17,S} {18,S} +9 *1 C u0 p0 c0 {7,D} {10,D} +10 C u0 p0 c0 {8,D} {9,D} 11 H u0 p0 c0 {2,S} 12 H u0 p0 c0 {4,S} 13 H u0 p0 c0 {5,S} 14 H u0 p0 c0 {6,S} 15 H u0 p0 c0 {3,S} 16 H u0 p0 c0 {7,S} -17 *3 H u0 p0 c0 {8,S} -18 H u0 p0 c0 {9,S} -19 H u0 p0 c0 {9,S} - -C10H9-19 -multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {8,S} {9,S} {11,S} -2 C u0 p0 c0 {1,S} {3,B} {4,B} -3 C u0 p0 c0 {2,B} {5,B} {12,S} -4 C u0 p0 c0 {2,B} {7,B} {16,S} -5 C u0 p0 c0 {3,B} {6,B} {13,S} -6 C u0 p0 c0 {5,B} {7,B} {14,S} -7 C u0 p0 c0 {4,B} {6,B} {15,S} -8 *2 C u1 p0 c0 {1,S} {17,S} {18,S} -9 C u0 p0 c0 {1,S} {10,T} -10 C u0 p0 c0 {9,T} {19,S} -11 *3 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {4,S} 17 H u0 p0 c0 {8,S} 18 H u0 p0 c0 {8,S} -19 H u0 p0 c0 {10,S} C10H9-18 multiplicity 2 @@ -3700,585 +3992,227 @@ multiplicity 2 9 C u0 p0 c0 {10,D} {18,S} {19,S} 10 C u0 p0 c0 {8,D} {9,D} 11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {5,S} -13 H u0 p0 c0 {6,S} -14 H u0 p0 c0 {7,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {4,S} -17 *3 H u0 p0 c0 {8,S} -18 H u0 p0 c0 {9,S} -19 H u0 p0 c0 {9,S} - -C2H4 -1 *1 C u0 p0 c0 {2,D} {3,S} {4,S} -2 *2 C u0 p0 c0 {1,D} {5,S} {6,S} -3 H u0 p0 c0 {1,S} -4 H u0 p0 c0 {1,S} -5 H u0 p0 c0 {2,S} -6 H u0 p0 c0 {2,S} - -C2H3 -multiplicity 2 -1 C u0 p0 c0 {2,D} {3,S} {4,S} -2 *3 C u1 p0 c0 {1,D} {5,S} -3 H u0 p0 c0 {1,S} -4 H u0 p0 c0 {1,S} -5 H u0 p0 c0 {2,S} - -C2H2 -1 *1 C u0 p0 c0 {2,T} {3,S} -2 *2 C u0 p0 c0 {1,T} {4,S} -3 H u0 p0 c0 {1,S} -4 H u0 p0 c0 {2,S} - -C3H5O -multiplicity 2 -1 O u0 p2 c0 {3,D} -2 C u0 p0 c0 {3,S} {5,S} {6,S} {7,S} -3 C u0 p0 c0 {1,D} {2,S} {4,S} -4 *3 C u1 p0 c0 {3,S} {8,S} {9,S} -5 H u0 p0 c0 {2,S} -6 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {4,S} -9 H u0 p0 c0 {4,S} - -C9H10 -1 C u0 p0 c0 {2,S} {3,S} {10,S} {11,S} -2 C u0 p0 c0 {1,S} {4,B} {5,B} -3 *2 C u0 p0 c0 {1,S} {9,D} {12,S} -4 C u0 p0 c0 {2,B} {6,B} {13,S} -5 C u0 p0 c0 {2,B} {8,B} {16,S} -6 C u0 p0 c0 {4,B} {7,B} {14,S} -7 C u0 p0 c0 {6,B} {8,B} {15,S} -8 C u0 p0 c0 {5,B} {7,B} {17,S} -9 *1 C u0 p0 c0 {3,D} {18,S} {19,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {4,S} -14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {5,S} -17 H u0 p0 c0 {8,S} -18 H u0 p0 c0 {9,S} -19 H u0 p0 c0 {9,S} - -C9H11 -multiplicity 2 -1 *1 C u0 p0 c0 {3,S} {4,S} {10,S} {11,S} -2 C u0 p0 c0 {4,S} {12,S} {13,S} {14,S} -3 *3 C u0 p0 c0 {1,S} {5,B} {6,B} -4 *2 C u1 p0 c0 {1,S} {2,S} {15,S} -5 C u0 p0 c0 {3,B} {8,B} {19,S} -6 C u0 p0 c0 {3,B} {9,B} {20,S} -7 C u0 p0 c0 {8,B} {9,B} {17,S} -8 C u0 p0 c0 {5,B} {7,B} {16,S} -9 C u0 p0 c0 {6,B} {7,B} {18,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {8,S} -17 H u0 p0 c0 {7,S} -18 H u0 p0 c0 {9,S} -19 H u0 p0 c0 {5,S} -20 H u0 p0 c0 {6,S} - -C7H9-14 -multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {7,S} -2 *3 C u0 p0 c0 {1,S} {8,S} {9,S} {10,S} -3 C u0 p0 c0 {1,S} {5,D} {11,S} -4 C u0 p0 c0 {1,S} {6,D} {12,S} -5 C u0 p0 c0 {3,D} {6,S} {13,S} -6 C u0 p0 c0 {4,D} {5,S} {14,S} -7 *2 C u1 p0 c0 {1,S} {15,S} {16,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {7,S} - -C7H9-15 -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {8,S} {9,S} -2 *1 C u0 p0 c0 {1,S} {4,S} {10,S} {11,S} -3 C u0 p0 c0 {1,S} {5,S} {7,D} -4 *2 C u1 p0 c0 {2,S} {6,S} {12,S} -5 C u0 p0 c0 {3,S} {6,D} {13,S} -6 C u0 p0 c0 {4,S} {5,D} {14,S} -7 C u0 p0 c0 {3,D} {15,S} {16,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {2,S} -11 *3 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {7,S} - -C7H9-16 -multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {8,S} -2 *3 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} -3 C u0 p0 c0 {1,S} {5,S} {7,D} -4 *2 C u1 p0 c0 {1,S} {6,S} {12,S} -5 C u0 p0 c0 {3,S} {6,D} {13,S} -6 C u0 p0 c0 {4,S} {5,D} {14,S} -7 C u0 p0 c0 {3,D} {15,S} {16,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {7,S} - -C7H9-17 -multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {4,S} {5,S} {8,S} -2 *3 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} -3 C u0 p0 c0 {4,S} {6,S} {7,D} -4 *2 C u1 p0 c0 {1,S} {3,S} {12,S} -5 C u0 p0 c0 {1,S} {6,D} {13,S} -6 C u0 p0 c0 {3,S} {5,D} {14,S} -7 C u0 p0 c0 {3,D} {15,S} {16,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {7,S} - -C7H9-10 -multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {3,S} {7,S} {8,S} -2 C u0 p0 c0 {1,S} {4,S} {9,S} {10,S} -3 C u0 p0 c0 {1,S} {6,D} {12,S} -4 C u0 p0 c0 {2,S} {5,D} {11,S} -5 C u0 p0 c0 {4,D} {6,S} {14,S} -6 C u0 p0 c0 {3,D} {5,S} {13,S} -7 *2 C u1 p0 c0 {1,S} {15,S} {16,S} -8 *3 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {6,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {7,S} - -C7H9-11 -multiplicity 2 -1 C u0 p0 c0 {2,S} {5,S} {8,S} {9,S} -2 *1 C u0 p0 c0 {1,S} {4,S} {10,S} {11,S} -3 C u0 p0 c0 {4,S} {6,S} {7,D} -4 *2 C u1 p0 c0 {2,S} {3,S} {13,S} -5 C u0 p0 c0 {1,S} {6,D} {12,S} -6 C u0 p0 c0 {3,S} {5,D} {14,S} -7 C u0 p0 c0 {3,D} {15,S} {16,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {2,S} -11 *3 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {5,S} -13 H u0 p0 c0 {4,S} -14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {7,S} - -C7H9-12 -multiplicity 2 -1 C u0 p0 c0 {2,S} {4,S} {8,S} {9,S} -2 *1 C u0 p0 c0 {1,S} {3,S} {10,S} {11,S} -3 *2 C u1 p0 c0 {2,S} {6,S} {13,S} -4 C u0 p0 c0 {1,S} {5,D} {12,S} -5 C u0 p0 c0 {4,D} {7,S} {16,S} -6 C u0 p0 c0 {3,S} {7,D} {14,S} -7 C u0 p0 c0 {5,S} {6,D} {15,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {2,S} -11 *3 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {5,S} - -C7H9-13 -multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {3,S} {5,S} {8,S} -2 C u0 p0 c0 {1,S} {4,S} {9,S} {10,S} -3 *2 C u1 p0 c0 {1,S} {6,S} {12,S} -4 C u0 p0 c0 {2,S} {6,D} {11,S} -5 *3 C u0 p0 c0 {1,S} {7,D} {13,S} -6 C u0 p0 c0 {3,S} {4,D} {14,S} -7 C u0 p0 c0 {5,D} {15,S} {16,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {7,S} - -C10H10-16 -multiplicity 3 -1 *1 C u0 p0 c0 {3,S} {4,S} {6,S} {11,S} -2 C u0 p0 c0 {3,S} {5,S} {12,S} {13,S} -3 *2 C u1 p0 c0 {1,S} {2,S} {7,S} -4 C u0 p0 c0 {1,S} {5,S} {10,D} -5 C u1 p0 c0 {2,S} {4,S} {14,S} -6 C u0 p0 c0 {1,S} {8,D} {15,S} -7 C u0 p0 c0 {3,S} {9,D} {17,S} -8 C u0 p0 c0 {6,D} {9,S} {16,S} -9 C u0 p0 c0 {7,D} {8,S} {18,S} -10 C u0 p0 c0 {4,D} {19,S} {20,S} -11 *3 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {6,S} -16 H u0 p0 c0 {8,S} -17 H u0 p0 c0 {7,S} -18 H u0 p0 c0 {9,S} -19 H u0 p0 c0 {10,S} -20 H u0 p0 c0 {10,S} - -C10H10-14 -1 C u0 p0 c0 {2,S} {3,B} {4,B} -2 *1 C u0 p0 c0 {1,S} {5,D} {13,S} -3 C u0 p0 c0 {1,B} {6,B} {14,S} -4 C u0 p0 c0 {1,B} {7,B} {15,S} -5 *2 C u0 p0 c0 {2,D} {9,S} {12,S} -6 C u0 p0 c0 {3,B} {8,B} {16,S} -7 C u0 p0 c0 {4,B} {8,B} {17,S} -8 C u0 p0 c0 {6,B} {7,B} {18,S} -9 C u0 p0 c0 {5,S} {10,D} {11,S} -10 C u0 p0 c0 {9,D} {19,S} {20,S} -11 H u0 p0 c0 {9,S} -12 H u0 p0 c0 {5,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {6,S} -17 H u0 p0 c0 {7,S} -18 H u0 p0 c0 {8,S} -19 H u0 p0 c0 {10,S} -20 H u0 p0 c0 {10,S} - -C10H10-12 -1 C u0 p0 c0 {2,S} {3,S} {5,S} {11,S} -2 C u0 p0 c0 {1,S} {12,S} {13,S} {14,S} -3 C u0 p0 c0 {1,S} {4,B} {6,B} -4 C u0 p0 c0 {3,B} {7,S} {8,B} -5 *2 C u0 p0 c0 {1,S} {7,D} {15,S} -6 C u0 p0 c0 {3,B} {10,B} {17,S} -7 *1 C u0 p0 c0 {4,S} {5,D} {20,S} -8 C u0 p0 c0 {4,B} {9,B} {16,S} -9 C u0 p0 c0 {8,B} {10,B} {18,S} -10 C u0 p0 c0 {6,B} {9,B} {19,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {8,S} -17 H u0 p0 c0 {6,S} -18 H u0 p0 c0 {9,S} -19 H u0 p0 c0 {10,S} -20 H u0 p0 c0 {7,S} - -C10H10-13 -1 C u0 p0 c0 {3,S} {4,S} {11,S} {12,S} -2 C u0 p0 c0 {3,S} {13,S} {14,S} {15,S} -3 *1 C u0 p0 c0 {1,S} {2,S} {6,D} -4 C u0 p0 c0 {1,S} {5,B} {7,B} -5 C u0 p0 c0 {4,B} {6,S} {8,B} -6 *2 C u0 p0 c0 {3,D} {5,S} {20,S} -7 C u0 p0 c0 {4,B} {9,B} {16,S} -8 C u0 p0 c0 {5,B} {10,B} {17,S} -9 C u0 p0 c0 {7,B} {10,B} {18,S} -10 C u0 p0 c0 {8,B} {9,B} {19,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {2,S} -16 H u0 p0 c0 {7,S} -17 H u0 p0 c0 {8,S} -18 H u0 p0 c0 {9,S} -19 H u0 p0 c0 {10,S} -20 H u0 p0 c0 {6,S} - -C10H10-10 -1 C u0 p0 c0 {2,B} {3,B} {4,S} -2 C u0 p0 c0 {1,B} {5,B} {11,S} -3 C u0 p0 c0 {1,B} {7,B} {12,S} -4 C u0 p0 c0 {1,S} {8,D} {13,S} -5 C u0 p0 c0 {2,B} {6,B} {14,S} -6 C u0 p0 c0 {5,B} {7,B} {16,S} -7 C u0 p0 c0 {3,B} {6,B} {15,S} -8 C u0 p0 c0 {4,D} {9,S} {17,S} -9 *2 C u0 p0 c0 {8,S} {10,D} {18,S} -10 *1 C u0 p0 c0 {9,D} {19,S} {20,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {4,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {6,S} -17 H u0 p0 c0 {8,S} -18 H u0 p0 c0 {9,S} -19 H u0 p0 c0 {10,S} -20 H u0 p0 c0 {10,S} - -C10H10-11 -1 C u0 p0 c0 {3,S} {6,S} {11,S} {12,S} -2 C u0 p0 c0 {4,S} {13,S} {14,S} {15,S} -3 C u0 p0 c0 {1,S} {5,B} {7,B} -4 *1 C u0 p0 c0 {2,S} {5,S} {6,D} -5 C u0 p0 c0 {3,B} {4,S} {8,B} -6 *2 C u0 p0 c0 {1,S} {4,D} {16,S} -7 C u0 p0 c0 {3,B} {9,B} {17,S} -8 C u0 p0 c0 {5,B} {10,B} {18,S} -9 C u0 p0 c0 {7,B} {10,B} {19,S} -10 C u0 p0 c0 {8,B} {9,B} {20,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {2,S} -16 H u0 p0 c0 {6,S} -17 H u0 p0 c0 {7,S} -18 H u0 p0 c0 {8,S} -19 H u0 p0 c0 {9,S} -20 H u0 p0 c0 {10,S} - -C8H7-4 -multiplicity 2 -1 *3 C u0 p0 c0 {2,B} {3,B} {7,S} -2 C u0 p0 c0 {1,B} {5,B} {12,S} -3 C u0 p0 c0 {1,B} {6,B} {13,S} -4 C u0 p0 c0 {5,B} {6,B} {11,S} -5 C u0 p0 c0 {2,B} {4,B} {9,S} -6 C u0 p0 c0 {3,B} {4,B} {10,S} -7 *1 C u0 p0 c0 {1,S} {8,D} {14,S} -8 *2 C u1 p0 c0 {7,D} {15,S} -9 H u0 p0 c0 {5,S} -10 H u0 p0 c0 {6,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {7,S} -15 H u0 p0 c0 {8,S} - -C8H5 -multiplicity 2 -1 C u0 p0 c0 {3,B} {6,B} {7,S} -2 C u0 p0 c0 {3,B} {4,B} {10,S} -3 C u0 p0 c0 {1,B} {2,B} {11,S} -4 C u0 p0 c0 {2,B} {5,B} {9,S} -5 C u0 p0 c0 {4,B} {6,B} {12,S} -6 *3 C u1 p0 c0 {1,B} {5,B} -7 C u0 p0 c0 {1,S} {8,T} -8 C u0 p0 c0 {7,T} {13,S} -9 H u0 p0 c0 {4,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {5,S} -13 H u0 p0 c0 {8,S} - -butene2 -1 C u0 p0 c0 {3,S} {5,S} {6,S} {7,S} -2 C u0 p0 c0 {4,S} {8,S} {9,S} {10,S} -3 *1 C u0 p0 c0 {1,S} {4,D} {11,S} -4 *2 C u0 p0 c0 {2,S} {3,D} {12,S} -5 H u0 p0 c0 {1,S} -6 H u0 p0 c0 {1,S} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {4,S} - -C8H6 -1 C u0 p0 c0 {2,B} {3,B} {7,S} -2 C u0 p0 c0 {1,B} {4,B} {9,S} -3 C u0 p0 c0 {1,B} {6,B} {13,S} -4 C u0 p0 c0 {2,B} {5,B} {10,S} -5 C u0 p0 c0 {4,B} {6,B} {11,S} -6 C u0 p0 c0 {3,B} {5,B} {12,S} -7 *1 C u0 p0 c0 {1,S} {8,T} -8 *2 C u0 p0 c0 {7,T} {14,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {4,S} -11 H u0 p0 c0 {5,S} -12 H u0 p0 c0 {6,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {8,S} - -C8H8 -1 C u0 p0 c0 {2,B} {3,B} {4,S} -2 C u0 p0 c0 {1,B} {5,B} {10,S} -3 C u0 p0 c0 {1,B} {7,B} {14,S} -4 *2 C u0 p0 c0 {1,S} {8,D} {9,S} -5 C u0 p0 c0 {2,B} {6,B} {11,S} -6 C u0 p0 c0 {5,B} {7,B} {12,S} -7 C u0 p0 c0 {3,B} {6,B} {13,S} -8 *1 C u0 p0 c0 {4,D} {15,S} {16,S} -9 H u0 p0 c0 {4,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {5,S} -12 H u0 p0 c0 {6,S} -13 H u0 p0 c0 {7,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {8,S} +12 H u0 p0 c0 {5,S} +13 H u0 p0 c0 {6,S} +14 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {4,S} +17 *3 H u0 p0 c0 {8,S} +18 H u0 p0 c0 {9,S} +19 H u0 p0 c0 {9,S} + +C10H8-15 +1 C u0 p0 c0 {2,S} {3,B} {4,B} +2 *1 C u0 p0 c0 {1,S} {8,D} {9,S} +3 C u0 p0 c0 {1,B} {5,B} {11,S} +4 C u0 p0 c0 {1,B} {7,B} {15,S} +5 C u0 p0 c0 {3,B} {6,B} {12,S} +6 C u0 p0 c0 {5,B} {7,B} {13,S} +7 C u0 p0 c0 {4,B} {6,B} {14,S} +8 *2 C u0 p0 c0 {2,D} {16,S} {17,S} +9 C u0 p0 c0 {2,S} {10,T} +10 C u0 p0 c0 {9,T} {18,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {5,S} +13 H u0 p0 c0 {6,S} +14 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {4,S} 16 H u0 p0 c0 {8,S} +17 H u0 p0 c0 {8,S} +18 H u0 p0 c0 {10,S} -C9H10-3 -1 C u0 p0 c0 {2,S} {10,S} {11,S} {12,S} -2 *1 C u0 p0 c0 {1,S} {3,S} {9,D} -3 C u0 p0 c0 {2,S} {4,B} {5,B} -4 C u0 p0 c0 {3,B} {6,B} {13,S} -5 C u0 p0 c0 {3,B} {7,B} {14,S} -6 C u0 p0 c0 {4,B} {8,B} {15,S} -7 C u0 p0 c0 {5,B} {8,B} {16,S} -8 C u0 p0 c0 {6,B} {7,B} {17,S} -9 *2 C u0 p0 c0 {2,D} {18,S} {19,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {1,S} +C10H9-19 +multiplicity 2 +1 *1 C u0 p0 c0 {2,S} {8,S} {9,S} {11,S} +2 C u0 p0 c0 {1,S} {3,B} {4,B} +3 C u0 p0 c0 {2,B} {5,B} {12,S} +4 C u0 p0 c0 {2,B} {7,B} {16,S} +5 C u0 p0 c0 {3,B} {6,B} {13,S} +6 C u0 p0 c0 {5,B} {7,B} {14,S} +7 C u0 p0 c0 {4,B} {6,B} {15,S} +8 *2 C u1 p0 c0 {1,S} {17,S} {18,S} +9 C u0 p0 c0 {1,S} {10,T} +10 C u0 p0 c0 {9,T} {19,S} +11 *3 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {8,S} +18 H u0 p0 c0 {8,S} +19 H u0 p0 c0 {10,S} + +C10H10-10 +1 C u0 p0 c0 {2,B} {3,B} {4,S} +2 C u0 p0 c0 {1,B} {5,B} {11,S} +3 C u0 p0 c0 {1,B} {7,B} {12,S} +4 C u0 p0 c0 {1,S} {8,D} {13,S} +5 C u0 p0 c0 {2,B} {6,B} {14,S} +6 C u0 p0 c0 {5,B} {7,B} {16,S} +7 C u0 p0 c0 {3,B} {6,B} {15,S} +8 C u0 p0 c0 {4,D} {9,S} {17,S} +9 *2 C u0 p0 c0 {8,S} {10,D} {18,S} +10 *1 C u0 p0 c0 {9,D} {19,S} {20,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {3,S} 13 H u0 p0 c0 {4,S} 14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {6,S} -16 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {6,S} 17 H u0 p0 c0 {8,S} 18 H u0 p0 c0 {9,S} -19 H u0 p0 c0 {9,S} +19 H u0 p0 c0 {10,S} +20 H u0 p0 c0 {10,S} -C9H10-2 -1 C u0 p0 c0 {3,S} {10,S} {11,S} {12,S} -2 C u0 p0 c0 {4,S} {5,B} {6,B} -3 *2 C u0 p0 c0 {1,S} {4,D} {13,S} -4 *1 C u0 p0 c0 {2,S} {3,D} {18,S} -5 C u0 p0 c0 {2,B} {7,B} {14,S} -6 C u0 p0 c0 {2,B} {9,B} {17,S} -7 C u0 p0 c0 {5,B} {8,B} {15,S} -8 C u0 p0 c0 {7,B} {9,B} {16,S} -9 C u0 p0 c0 {6,B} {8,B} {19,S} -10 H u0 p0 c0 {1,S} +C10H11-15 +multiplicity 2 +1 *1 C u0 p0 c0 {3,S} {11,S} {12,S} {13,S} +2 C u0 p0 c0 {4,B} {5,B} {6,S} +3 *2 C u1 p0 c0 {1,S} {7,S} {14,S} +4 C u0 p0 c0 {2,B} {8,B} {15,S} +5 C u0 p0 c0 {2,B} {10,B} {16,S} +6 C u0 p0 c0 {2,S} {7,D} {17,S} +7 C u0 p0 c0 {3,S} {6,D} {21,S} +8 C u0 p0 c0 {4,B} {9,B} {18,S} +9 C u0 p0 c0 {8,B} {10,B} {20,S} +10 C u0 p0 c0 {5,B} {9,B} {19,S} 11 H u0 p0 c0 {1,S} 12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {8,S} +13 *3 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {5,S} 17 H u0 p0 c0 {6,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {9,S} +18 H u0 p0 c0 {8,S} +19 H u0 p0 c0 {10,S} +20 H u0 p0 c0 {9,S} +21 H u0 p0 c0 {7,S} -C9H9-8 -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {10,S} {11,S} -2 *1 C u0 p0 c0 {1,S} {5,S} {12,S} {13,S} -3 C u0 p0 c0 {1,S} {4,B} {6,B} -4 C u0 p0 c0 {3,B} {5,S} {7,B} -5 *2 C u1 p0 c0 {2,S} {4,S} {14,S} -6 C u0 p0 c0 {3,B} {9,B} {18,S} -7 C u0 p0 c0 {4,B} {8,B} {15,S} -8 C u0 p0 c0 {7,B} {9,B} {16,S} -9 C u0 p0 c0 {6,B} {8,B} {17,S} +C9H8-3 +1 C u0 p0 c0 {2,S} {4,S} {10,S} {11,S} +2 *2 C u0 p0 c0 {1,S} {3,B} {6,B} +3 C u0 p0 c0 {2,B} {5,S} {7,B} +4 C u0 p0 c0 {1,S} {5,D} {12,S} +5 C u0 p0 c0 {3,S} {4,D} {13,S} +6 *1 C u0 p0 c0 {2,B} {8,B} {14,S} +7 C u0 p0 c0 {3,B} {9,B} {15,S} +8 C u0 p0 c0 {6,B} {9,B} {17,S} +9 C u0 p0 c0 {7,B} {8,B} {16,S} 10 H u0 p0 c0 {1,S} 11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {2,S} -13 *3 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {5,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {6,S} 15 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {8,S} -17 H u0 p0 c0 {9,S} +16 H u0 p0 c0 {9,S} +17 H u0 p0 c0 {8,S} + +C10H11-16 +multiplicity 2 +1 *1 C u0 p0 c0 {3,S} {4,S} {6,S} {11,S} +2 C u0 p0 c0 {4,S} {7,S} {12,S} {13,S} +3 *3 C u0 p0 c0 {1,S} {14,S} {15,S} {16,S} +4 *2 C u1 p0 c0 {1,S} {2,S} {5,S} +5 C u0 p0 c0 {4,S} {8,S} {9,D} +6 C u0 p0 c0 {1,S} {10,D} {18,S} +7 C u0 p0 c0 {2,S} {8,D} {17,S} +8 C u0 p0 c0 {5,S} {7,D} {19,S} +9 C u0 p0 c0 {5,D} {10,S} {20,S} +10 C u0 p0 c0 {6,D} {9,S} {21,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {7,S} 18 H u0 p0 c0 {6,S} +19 H u0 p0 c0 {8,S} +20 H u0 p0 c0 {9,S} +21 H u0 p0 c0 {10,S} -C9H9-9 +C7H9-27 multiplicity 2 -1 *1 C u0 p0 c0 {3,S} {4,S} {5,S} {10,S} -2 C u0 p0 c0 {3,S} {6,S} {11,S} {12,S} -3 *2 C u1 p0 c0 {1,S} {2,S} {7,S} -4 C u0 p0 c0 {1,S} {6,D} {15,S} -5 C u0 p0 c0 {1,S} {8,D} {14,S} -6 C u0 p0 c0 {2,S} {4,D} {13,S} -7 C u0 p0 c0 {3,S} {9,D} {18,S} -8 C u0 p0 c0 {5,D} {9,S} {16,S} -9 C u0 p0 c0 {7,D} {8,S} {17,S} -10 *3 H u0 p0 c0 {1,S} +1 *1 C u0 p0 c0 {3,S} {4,S} {8,S} {9,S} +2 C u0 p0 c0 {3,S} {10,S} {11,S} {12,S} +3 *2 C u1 p0 c0 {1,S} {2,S} {5,S} +4 C u0 p0 c0 {1,S} {6,D} {13,S} +5 C u0 p0 c0 {3,S} {7,D} {16,S} +6 C u0 p0 c0 {4,D} {7,S} {14,S} +7 C u0 p0 c0 {5,D} {6,S} {15,S} +8 H u0 p0 c0 {1,S} +9 *3 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {2,S} 11 H u0 p0 c0 {2,S} 12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {6,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {8,S} -17 H u0 p0 c0 {9,S} -18 H u0 p0 c0 {7,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {5,S} -C9H10-5 -1 C u0 p0 c0 {2,S} {3,S} {10,S} {11,S} -2 C u0 p0 c0 {1,S} {4,S} {12,S} {13,S} -3 C u0 p0 c0 {1,S} {5,S} {14,S} {15,S} -4 *1 C u0 p0 c0 {2,S} {5,B} {6,B} -5 C u0 p0 c0 {3,S} {4,B} {7,B} -6 *2 C u0 p0 c0 {4,B} {8,B} {16,S} -7 C u0 p0 c0 {5,B} {9,B} {19,S} -8 C u0 p0 c0 {6,B} {9,B} {17,S} -9 C u0 p0 c0 {7,B} {8,B} {18,S} +C9H9 +multiplicity 2 +1 C u0 p0 c0 {9,S} {10,S} {11,S} {12,S} +2 *3 C u0 p0 c0 {3,B} {4,B} {8,S} +3 C u0 p0 c0 {2,B} {6,B} {16,S} +4 C u0 p0 c0 {2,B} {7,B} {17,S} +5 C u0 p0 c0 {6,B} {7,B} {13,S} +6 C u0 p0 c0 {3,B} {5,B} {14,S} +7 C u0 p0 c0 {4,B} {5,B} {15,S} +8 *1 C u0 p0 c0 {2,S} {9,D} {18,S} +9 *2 C u1 p0 c0 {1,S} {8,D} 10 H u0 p0 c0 {1,S} 11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {6,S} -17 H u0 p0 c0 {8,S} -18 H u0 p0 c0 {9,S} -19 H u0 p0 c0 {7,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {8,S} -C9H10-4 -1 C u0 p0 c0 {2,S} {3,S} {10,S} {11,S} -2 C u0 p0 c0 {1,S} {4,B} {5,B} -3 *1 C u0 p0 c0 {1,S} {9,D} {12,S} -4 C u0 p0 c0 {2,B} {6,B} {13,S} -5 C u0 p0 c0 {2,B} {7,B} {14,S} -6 C u0 p0 c0 {4,B} {8,B} {15,S} -7 C u0 p0 c0 {5,B} {8,B} {16,S} -8 C u0 p0 c0 {6,B} {7,B} {17,S} -9 *2 C u0 p0 c0 {3,D} {18,S} {19,S} +C9H9-2 +multiplicity 2 +1 C u0 p0 c0 {3,S} {10,S} {11,S} {12,S} +2 *3 C u0 p0 c0 {3,S} {4,B} {5,B} +3 *1 C u0 p0 c0 {1,S} {2,S} {9,D} +4 C u0 p0 c0 {2,B} {7,B} {16,S} +5 C u0 p0 c0 {2,B} {8,B} {17,S} +6 C u0 p0 c0 {7,B} {8,B} {13,S} +7 C u0 p0 c0 {4,B} {6,B} {14,S} +8 C u0 p0 c0 {5,B} {6,B} {15,S} +9 *2 C u1 p0 c0 {3,D} {18,S} 10 H u0 p0 c0 {1,S} 11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {4,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {6,S} -16 H u0 p0 c0 {7,S} -17 H u0 p0 c0 {8,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {6,S} +14 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {8,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {9,S} + +C9H9-3 +multiplicity 2 +1 *3 C u0 p0 c0 {2,S} {3,B} {4,B} +2 *1 C u0 p0 c0 {1,S} {8,S} {9,D} +3 C u0 p0 c0 {1,B} {6,B} {13,S} +4 C u0 p0 c0 {1,B} {7,B} {14,S} +5 C u0 p0 c0 {6,B} {7,B} {10,S} +6 C u0 p0 c0 {3,B} {5,B} {11,S} +7 C u0 p0 c0 {4,B} {5,B} {12,S} +8 *2 C u1 p0 c0 {2,S} {15,S} {16,S} +9 C u0 p0 c0 {2,D} {17,S} {18,S} +10 H u0 p0 c0 {5,S} +11 H u0 p0 c0 {6,S} +12 H u0 p0 c0 {7,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {8,S} +16 H u0 p0 c0 {8,S} +17 H u0 p0 c0 {9,S} 18 H u0 p0 c0 {9,S} -19 H u0 p0 c0 {9,S} C9H9-4 multiplicity 2 @@ -4322,6 +4256,25 @@ multiplicity 2 17 H u0 p0 c0 {6,S} 18 H u0 p0 c0 {9,S} +C9H8-4 +1 C u0 p0 c0 {2,S} {4,S} {10,S} {11,S} +2 *1 C u0 p0 c0 {1,S} {3,B} {6,B} +3 *2 C u0 p0 c0 {2,B} {5,S} {7,B} +4 C u0 p0 c0 {1,S} {5,D} {12,S} +5 C u0 p0 c0 {3,S} {4,D} {14,S} +6 C u0 p0 c0 {2,B} {9,B} {17,S} +7 C u0 p0 c0 {3,B} {8,B} {13,S} +8 C u0 p0 c0 {7,B} {9,B} {15,S} +9 C u0 p0 c0 {6,B} {8,B} {16,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {7,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {8,S} +16 H u0 p0 c0 {9,S} +17 H u0 p0 c0 {6,S} + C9H9-6 multiplicity 2 1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {10,S} @@ -4343,6 +4296,25 @@ multiplicity 2 17 H u0 p0 c0 {9,S} 18 H u0 p0 c0 {8,S} +C9H8-5 +1 C u0 p0 c0 {2,S} {4,S} {10,S} {11,S} +2 C u0 p0 c0 {1,S} {3,B} {6,B} +3 C u0 p0 c0 {2,B} {5,S} {7,B} +4 *2 C u0 p0 c0 {1,S} {5,D} {12,S} +5 *1 C u0 p0 c0 {3,S} {4,D} {14,S} +6 C u0 p0 c0 {2,B} {9,B} {17,S} +7 C u0 p0 c0 {3,B} {8,B} {13,S} +8 C u0 p0 c0 {7,B} {9,B} {15,S} +9 C u0 p0 c0 {6,B} {8,B} {16,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {7,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {8,S} +16 H u0 p0 c0 {9,S} +17 H u0 p0 c0 {6,S} + C9H9-7 multiplicity 2 1 C u0 p0 c0 {3,S} {5,S} {10,S} {11,S} @@ -4364,895 +4336,793 @@ multiplicity 2 17 H u0 p0 c0 {9,S} 18 H u0 p0 c0 {6,S} -C9H9-2 -multiplicity 2 -1 C u0 p0 c0 {3,S} {10,S} {11,S} {12,S} -2 *3 C u0 p0 c0 {3,S} {4,B} {5,B} -3 *1 C u0 p0 c0 {1,S} {2,S} {9,D} -4 C u0 p0 c0 {2,B} {7,B} {16,S} -5 C u0 p0 c0 {2,B} {8,B} {17,S} -6 C u0 p0 c0 {7,B} {8,B} {13,S} -7 C u0 p0 c0 {4,B} {6,B} {14,S} -8 C u0 p0 c0 {5,B} {6,B} {15,S} -9 *2 C u1 p0 c0 {3,D} {18,S} +C9H8-6 +1 C u0 p0 c0 {2,S} {4,S} {10,S} {11,S} +2 C u0 p0 c0 {1,S} {3,B} {6,B} +3 C u0 p0 c0 {2,B} {5,S} {7,B} +4 *1 C u0 p0 c0 {1,S} {5,D} {12,S} +5 *2 C u0 p0 c0 {3,S} {4,D} {14,S} +6 C u0 p0 c0 {2,B} {9,B} {17,S} +7 C u0 p0 c0 {3,B} {8,B} {13,S} +8 C u0 p0 c0 {7,B} {9,B} {15,S} +9 C u0 p0 c0 {6,B} {8,B} {16,S} 10 H u0 p0 c0 {1,S} 11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {6,S} -14 H u0 p0 c0 {7,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {7,S} +14 H u0 p0 c0 {5,S} 15 H u0 p0 c0 {8,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {5,S} -18 H u0 p0 c0 {9,S} +16 H u0 p0 c0 {9,S} +17 H u0 p0 c0 {6,S} -C9H9-3 +C9H9-8 multiplicity 2 -1 *3 C u0 p0 c0 {2,S} {3,B} {4,B} -2 *1 C u0 p0 c0 {1,S} {8,S} {9,D} -3 C u0 p0 c0 {1,B} {6,B} {13,S} -4 C u0 p0 c0 {1,B} {7,B} {14,S} -5 C u0 p0 c0 {6,B} {7,B} {10,S} -6 C u0 p0 c0 {3,B} {5,B} {11,S} -7 C u0 p0 c0 {4,B} {5,B} {12,S} -8 *2 C u1 p0 c0 {2,S} {15,S} {16,S} -9 C u0 p0 c0 {2,D} {17,S} {18,S} -10 H u0 p0 c0 {5,S} -11 H u0 p0 c0 {6,S} -12 H u0 p0 c0 {7,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {8,S} +1 C u0 p0 c0 {2,S} {3,S} {10,S} {11,S} +2 *1 C u0 p0 c0 {1,S} {5,S} {12,S} {13,S} +3 C u0 p0 c0 {1,S} {4,B} {6,B} +4 C u0 p0 c0 {3,B} {5,S} {7,B} +5 *2 C u1 p0 c0 {2,S} {4,S} {14,S} +6 C u0 p0 c0 {3,B} {9,B} {18,S} +7 C u0 p0 c0 {4,B} {8,B} {15,S} +8 C u0 p0 c0 {7,B} {9,B} {16,S} +9 C u0 p0 c0 {6,B} {8,B} {17,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {2,S} +13 *3 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {7,S} 16 H u0 p0 c0 {8,S} 17 H u0 p0 c0 {9,S} -18 H u0 p0 c0 {9,S} - -SO2 -1 *2 S u0 p1 c0 {2,D} {3,D} -2 *1 O u0 p2 c0 {1,D} -3 O u0 p2 c0 {1,D} - -C10H9-28 -multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {4,S} {11,S} {12,S} -2 C u0 p0 c0 {1,S} {3,B} {5,B} -3 C u0 p0 c0 {2,B} {6,S} {7,B} -4 *2 C u1 p0 c0 {1,S} {8,S} {13,S} -5 C u0 p0 c0 {2,B} {9,B} {15,S} -6 C u0 p0 c0 {3,S} {8,D} {16,S} -7 C u0 p0 c0 {3,B} {10,B} {17,S} -8 C u0 p0 c0 {4,S} {6,D} {14,S} -9 C u0 p0 c0 {5,B} {10,B} {18,S} -10 C u0 p0 c0 {7,B} {9,B} {19,S} -11 H u0 p0 c0 {1,S} -12 *3 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {4,S} -14 H u0 p0 c0 {8,S} -15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {6,S} -17 H u0 p0 c0 {7,S} -18 H u0 p0 c0 {9,S} -19 H u0 p0 c0 {10,S} +18 H u0 p0 c0 {6,S} -C10H9-29 -multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {11,S} {12,S} {13,S} -2 *2 C u1 p0 c0 {1,S} {5,S} {6,S} -3 C u0 p0 c0 {4,S} {5,D} {7,S} -4 C u0 p0 c0 {3,S} {6,D} {8,S} -5 C u0 p0 c0 {2,S} {3,D} {14,S} -6 C u0 p0 c0 {2,S} {4,D} {16,S} -7 C u0 p0 c0 {3,S} {9,D} {15,S} -8 C u0 p0 c0 {4,S} {10,D} {18,S} -9 C u0 p0 c0 {7,D} {10,S} {17,S} -10 C u0 p0 c0 {8,D} {9,S} {19,S} +C9H8-7 +1 C u0 p0 c0 {2,S} {4,S} {10,S} {11,S} +2 *2 C u0 p0 c0 {1,S} {3,B} {6,B} +3 *1 C u0 p0 c0 {2,B} {5,S} {7,B} +4 C u0 p0 c0 {1,S} {5,D} {12,S} +5 C u0 p0 c0 {3,S} {4,D} {14,S} +6 C u0 p0 c0 {2,B} {9,B} {17,S} +7 C u0 p0 c0 {3,B} {8,B} {13,S} +8 C u0 p0 c0 {7,B} {9,B} {15,S} +9 C u0 p0 c0 {6,B} {8,B} {16,S} +10 H u0 p0 c0 {1,S} 11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {1,S} -13 *3 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {7,S} 14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {6,S} -17 H u0 p0 c0 {9,S} -18 H u0 p0 c0 {8,S} -19 H u0 p0 c0 {10,S} +15 H u0 p0 c0 {8,S} +16 H u0 p0 c0 {9,S} +17 H u0 p0 c0 {6,S} -C10H9-20 +C9H9-9 multiplicity 2 -1 C u0 p0 c0 {2,B} {3,B} {7,S} -2 *3 C u0 p0 c0 {1,B} {4,B} {8,S} -3 C u0 p0 c0 {1,B} {5,B} {12,S} -4 C u0 p0 c0 {2,B} {6,B} {15,S} -5 C u0 p0 c0 {3,B} {6,B} {13,S} -6 C u0 p0 c0 {4,B} {5,B} {11,S} -7 C u0 p0 c0 {1,S} {9,D} {14,S} -8 *1 C u0 p0 c0 {2,S} {10,D} {16,S} -9 C u0 p0 c0 {7,D} {17,S} {18,S} -10 *2 C u1 p0 c0 {8,D} {19,S} -11 H u0 p0 c0 {6,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {7,S} +1 *1 C u0 p0 c0 {3,S} {4,S} {5,S} {10,S} +2 C u0 p0 c0 {3,S} {6,S} {11,S} {12,S} +3 *2 C u1 p0 c0 {1,S} {2,S} {7,S} +4 C u0 p0 c0 {1,S} {6,D} {15,S} +5 C u0 p0 c0 {1,S} {8,D} {14,S} +6 C u0 p0 c0 {2,S} {4,D} {13,S} +7 C u0 p0 c0 {3,S} {9,D} {18,S} +8 C u0 p0 c0 {5,D} {9,S} {16,S} +9 C u0 p0 c0 {7,D} {8,S} {17,S} +10 *3 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {6,S} +14 H u0 p0 c0 {5,S} 15 H u0 p0 c0 {4,S} 16 H u0 p0 c0 {8,S} 17 H u0 p0 c0 {9,S} -18 H u0 p0 c0 {9,S} -19 H u0 p0 c0 {10,S} +18 H u0 p0 c0 {7,S} -C10H9-21 -multiplicity 2 -1 *1 C u0 p0 c0 {4,S} {5,S} {11,S} {12,S} -2 C u0 p0 c0 {3,B} {4,S} {7,B} -3 C u0 p0 c0 {2,B} {6,S} {8,B} -4 *2 C u1 p0 c0 {1,S} {2,S} {13,S} -5 C u0 p0 c0 {1,S} {6,D} {14,S} -6 C u0 p0 c0 {3,S} {5,D} {16,S} -7 C u0 p0 c0 {2,B} {9,B} {15,S} -8 C u0 p0 c0 {3,B} {10,B} {18,S} -9 C u0 p0 c0 {7,B} {10,B} {17,S} -10 C u0 p0 c0 {8,B} {9,B} {19,S} +C9H8-8 +1 C u0 p0 c0 {8,S} {10,S} {11,S} {12,S} +2 C u0 p0 c0 {3,B} {4,B} {9,S} +3 C u0 p0 c0 {2,B} {5,B} {13,S} +4 C u0 p0 c0 {2,B} {7,B} {15,S} +5 C u0 p0 c0 {3,B} {6,B} {14,S} +6 C u0 p0 c0 {5,B} {7,B} {17,S} +7 C u0 p0 c0 {4,B} {6,B} {16,S} +8 *2 C u0 p0 c0 {1,S} {9,T} +9 *1 C u0 p0 c0 {2,S} {8,T} +10 H u0 p0 c0 {1,S} 11 H u0 p0 c0 {1,S} -12 *3 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {3,S} 14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {6,S} -17 H u0 p0 c0 {9,S} -18 H u0 p0 c0 {8,S} -19 H u0 p0 c0 {10,S} - -C10H9-22 -multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {4,S} {10,S} {11,S} -2 C u0 p0 c0 {1,S} {3,B} {5,B} -3 C u0 p0 c0 {2,B} {6,S} {7,B} -4 C u0 p0 c0 {1,S} {6,D} {12,S} -5 C u0 p0 c0 {2,B} {8,B} {13,S} -6 C u0 p0 c0 {3,S} {4,D} {14,S} -7 C u0 p0 c0 {3,B} {9,B} {16,S} -8 C u0 p0 c0 {5,B} {9,B} {15,S} -9 C u0 p0 c0 {7,B} {8,B} {17,S} -10 *2 C u1 p0 c0 {1,S} {18,S} {19,S} -11 *3 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {8,S} +15 H u0 p0 c0 {4,S} 16 H u0 p0 c0 {7,S} -17 H u0 p0 c0 {9,S} -18 H u0 p0 c0 {10,S} -19 H u0 p0 c0 {10,S} +17 H u0 p0 c0 {6,S} -C10H9-23 +C9H9-10 multiplicity 2 -1 C u0 p0 c0 {2,B} {3,B} {5,S} -2 C u0 p0 c0 {1,B} {4,B} {8,S} -3 C u0 p0 c0 {1,B} {7,B} {12,S} -4 C u0 p0 c0 {2,B} {6,B} {11,S} -5 C u0 p0 c0 {1,S} {9,D} {13,S} -6 C u0 p0 c0 {4,B} {7,B} {14,S} -7 C u0 p0 c0 {3,B} {6,B} {15,S} -8 *1 C u0 p0 c0 {2,S} {10,D} {16,S} -9 C u0 p0 c0 {5,D} {17,S} {18,S} -10 *2 C u1 p0 c0 {8,D} {19,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {7,S} -16 *3 H u0 p0 c0 {8,S} -17 H u0 p0 c0 {9,S} -18 H u0 p0 c0 {9,S} -19 H u0 p0 c0 {10,S} +1 C u0 p0 c0 {9,S} {10,S} {11,S} {12,S} +2 C u0 p0 c0 {3,B} {4,B} {8,S} +3 C u0 p0 c0 {2,B} {5,B} {13,S} +4 C u0 p0 c0 {2,B} {7,B} {15,S} +5 C u0 p0 c0 {3,B} {6,B} {14,S} +6 C u0 p0 c0 {5,B} {7,B} {17,S} +7 C u0 p0 c0 {4,B} {6,B} {16,S} +8 *1 C u0 p0 c0 {2,S} {9,D} {18,S} +9 *2 C u1 p0 c0 {1,S} {8,D} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {7,S} +17 H u0 p0 c0 {6,S} +18 *3 H u0 p0 c0 {8,S} -C12H17-1 -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {15,S} {16,S} -2 *3 C u0 p0 c0 {1,S} {4,S} {17,S} {18,S} -3 C u0 p0 c0 {1,S} {5,S} {13,S} {14,S} -4 *1 C u0 p0 c0 {2,S} {7,S} {19,S} {20,S} -5 C u0 p0 c0 {3,S} {21,S} {22,S} {23,S} -6 C u0 p0 c0 {7,S} {8,B} {9,B} -7 *2 C u1 p0 c0 {4,S} {6,S} {24,S} -8 C u0 p0 c0 {6,B} {10,B} {25,S} -9 C u0 p0 c0 {6,B} {12,B} {29,S} -10 C u0 p0 c0 {8,B} {11,B} {26,S} -11 C u0 p0 c0 {10,B} {12,B} {27,S} -12 C u0 p0 c0 {9,B} {11,B} {28,S} +C9H8-9 +1 C u0 p0 c0 {8,S} {10,S} {11,S} {12,S} +2 C u0 p0 c0 {3,B} {4,B} {9,S} +3 C u0 p0 c0 {2,B} {5,B} {13,S} +4 C u0 p0 c0 {2,B} {7,B} {15,S} +5 C u0 p0 c0 {3,B} {6,B} {14,S} +6 C u0 p0 c0 {5,B} {7,B} {17,S} +7 C u0 p0 c0 {4,B} {6,B} {16,S} +8 *1 C u0 p0 c0 {1,S} {9,T} +9 *2 C u0 p0 c0 {2,S} {8,T} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {1,S} 13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {1,S} -16 H u0 p0 c0 {1,S} -17 H u0 p0 c0 {2,S} -18 H u0 p0 c0 {2,S} -19 H u0 p0 c0 {4,S} -20 H u0 p0 c0 {4,S} -21 H u0 p0 c0 {5,S} -22 H u0 p0 c0 {5,S} -23 H u0 p0 c0 {5,S} -24 H u0 p0 c0 {7,S} -25 H u0 p0 c0 {8,S} -26 H u0 p0 c0 {10,S} -27 H u0 p0 c0 {11,S} -28 H u0 p0 c0 {12,S} -29 H u0 p0 c0 {9,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {7,S} +17 H u0 p0 c0 {6,S} -C10H9-25 +C9H9-11 multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {5,S} {11,S} {12,S} -2 C u0 p0 c0 {1,S} {3,S} {10,D} -3 C u0 p0 c0 {2,S} {4,B} {6,B} -4 C u0 p0 c0 {3,B} {5,S} {7,B} -5 *2 C u1 p0 c0 {1,S} {4,S} {13,S} -6 C u0 p0 c0 {3,B} {8,B} {14,S} -7 C u0 p0 c0 {4,B} {9,B} {16,S} -8 C u0 p0 c0 {6,B} {9,B} {15,S} -9 C u0 p0 c0 {7,B} {8,B} {17,S} -10 C u0 p0 c0 {2,D} {18,S} {19,S} +1 C u0 p0 c0 {8,S} {10,S} {11,S} {12,S} +2 C u0 p0 c0 {3,B} {4,B} {9,S} +3 C u0 p0 c0 {2,B} {5,B} {13,S} +4 C u0 p0 c0 {2,B} {7,B} {15,S} +5 C u0 p0 c0 {3,B} {6,B} {14,S} +6 C u0 p0 c0 {5,B} {7,B} {17,S} +7 C u0 p0 c0 {4,B} {6,B} {16,S} +8 *1 C u0 p0 c0 {1,S} {9,D} {18,S} +9 *2 C u1 p0 c0 {2,S} {8,D} +10 H u0 p0 c0 {1,S} 11 H u0 p0 c0 {1,S} -12 *3 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {8,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {4,S} 16 H u0 p0 c0 {7,S} -17 H u0 p0 c0 {9,S} -18 H u0 p0 c0 {10,S} -19 H u0 p0 c0 {10,S} +17 H u0 p0 c0 {6,S} +18 *3 H u0 p0 c0 {8,S} -C10H9-26 -multiplicity 2 -1 *2 C u0 p0 c0 {2,B} {3,B} {7,S} +C9H8-10 +1 C u0 p0 c0 {2,B} {3,B} {7,S} 2 C u0 p0 c0 {1,B} {4,B} {10,S} 3 C u0 p0 c0 {1,B} {5,B} {11,S} 4 C u0 p0 c0 {2,B} {6,B} {12,S} 5 C u0 p0 c0 {3,B} {6,B} {13,S} 6 C u0 p0 c0 {4,B} {5,B} {14,S} -7 *1 C u0 p0 c0 {1,S} {8,D} {15,S} -8 C u0 p0 c0 {7,D} {16,S} {17,S} -9 C u0 p0 c0 {10,D} {18,S} {19,S} -10 C u1 p0 c0 {2,S} {9,D} +7 C u0 p0 c0 {1,S} {9,D} {15,S} +8 *1 C u0 p0 c0 {9,D} {16,S} {17,S} +9 *2 C u0 p0 c0 {7,D} {8,D} +10 H u0 p0 c0 {2,S} 11 H u0 p0 c0 {3,S} 12 H u0 p0 c0 {4,S} 13 H u0 p0 c0 {5,S} 14 H u0 p0 c0 {6,S} -15 *3 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {7,S} 16 H u0 p0 c0 {8,S} 17 H u0 p0 c0 {8,S} -18 H u0 p0 c0 {9,S} -19 H u0 p0 c0 {9,S} -C10H9-27 +C9H9-12 multiplicity 2 -1 *1 C u0 p0 c0 {4,S} {5,S} {10,S} {11,S} -2 C u0 p0 c0 {3,S} {4,D} {6,S} -3 C u0 p0 c0 {2,S} {5,D} {7,S} -4 C u0 p0 c0 {1,S} {2,D} {12,S} -5 C u0 p0 c0 {1,S} {3,D} {13,S} -6 C u0 p0 c0 {2,S} {8,D} {14,S} -7 C u0 p0 c0 {3,S} {9,D} {15,S} -8 C u0 p0 c0 {6,D} {9,S} {16,S} -9 C u0 p0 c0 {7,D} {8,S} {17,S} -10 *2 C u1 p0 c0 {1,S} {18,S} {19,S} -11 *3 H u0 p0 c0 {1,S} +1 *1 C u0 p0 c0 {9,S} {10,S} {11,S} {12,S} +2 C u0 p0 c0 {3,B} {4,B} {8,S} +3 C u0 p0 c0 {2,B} {5,B} {13,S} +4 C u0 p0 c0 {2,B} {6,B} {14,S} +5 C u0 p0 c0 {3,B} {7,B} {15,S} +6 C u0 p0 c0 {4,B} {7,B} {16,S} +7 C u0 p0 c0 {5,B} {6,B} {17,S} +8 C u0 p0 c0 {2,S} {9,D} {18,S} +9 *2 C u1 p0 c0 {1,S} {8,D} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {1,S} +12 *3 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {6,S} +17 H u0 p0 c0 {7,S} +18 H u0 p0 c0 {8,S} + +C9H8-11 +1 C u0 p0 c0 {2,B} {3,B} {7,S} +2 C u0 p0 c0 {1,B} {4,B} {10,S} +3 C u0 p0 c0 {1,B} {5,B} {11,S} +4 C u0 p0 c0 {2,B} {6,B} {12,S} +5 C u0 p0 c0 {3,B} {6,B} {13,S} +6 C u0 p0 c0 {4,B} {5,B} {14,S} +7 *2 C u0 p0 c0 {1,S} {9,D} {15,S} +8 C u0 p0 c0 {9,D} {16,S} {17,S} +9 *1 C u0 p0 c0 {7,D} {8,D} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {3,S} 12 H u0 p0 c0 {4,S} 13 H u0 p0 c0 {5,S} 14 H u0 p0 c0 {6,S} 15 H u0 p0 c0 {7,S} 16 H u0 p0 c0 {8,S} -17 H u0 p0 c0 {9,S} -18 H u0 p0 c0 {10,S} -19 H u0 p0 c0 {10,S} - -C2H3O3 -multiplicity 2 -1 *3 O u0 p2 c0 {2,S} {4,S} -2 O u0 p2 c0 {1,S} {8,S} -3 O u0 p2 c0 {4,D} -4 *1 C u0 p0 c0 {1,S} {3,D} {5,S} -5 *2 C u1 p0 c0 {4,S} {6,S} {7,S} -6 H u0 p0 c0 {5,S} -7 H u0 p0 c0 {5,S} -8 H u0 p0 c0 {2,S} - -NNH -multiplicity 2 -1 *1 N u0 p1 c0 {2,D} {3,S} -2 *2 N u1 p1 c0 {1,D} -3 *3 H u0 p0 c0 {1,S} - -pent1en5yl -multiplicity 2 -1 *3 C u0 p0 c0 {2,S} {3,S} {6,S} {7,S} -2 *1 C u0 p0 c0 {1,S} {4,S} {8,S} {9,S} -3 C u0 p0 c0 {1,S} {5,D} {10,S} -4 *2 C u1 p0 c0 {2,S} {11,S} {12,S} -5 C u0 p0 c0 {3,D} {13,S} {14,S} -6 H u0 p0 c0 {1,S} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {3,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {5,S} - -OH -multiplicity 2 -1 *3 O u1 p2 c0 {2,S} -2 H u0 p0 c0 {1,S} +17 H u0 p0 c0 {8,S} -C10H7-7 +C9H9-13 multiplicity 2 -1 C u0 p0 c0 {2,B} {3,S} {4,B} -2 C u0 p0 c0 {1,B} {5,B} {8,S} -3 C u0 p0 c0 {1,S} {9,D} {10,S} +1 C u0 p0 c0 {2,S} {3,B} {4,B} +2 *2 C u1 p0 c0 {1,S} {8,S} {15,S} +3 C u0 p0 c0 {1,B} {5,B} {10,S} 4 C u0 p0 c0 {1,B} {6,B} {11,S} -5 C u0 p0 c0 {2,B} {7,B} {14,S} -6 C u0 p0 c0 {4,B} {7,B} {12,S} -7 C u0 p0 c0 {5,B} {6,B} {13,S} -8 *1 C u0 p0 c0 {2,S} {10,D} {15,S} -9 C u0 p0 c0 {3,D} {16,S} {17,S} -10 *2 C u1 p0 c0 {3,S} {8,D} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {6,S} -13 H u0 p0 c0 {7,S} -14 H u0 p0 c0 {5,S} -15 *3 H u0 p0 c0 {8,S} -16 H u0 p0 c0 {9,S} -17 H u0 p0 c0 {9,S} - -C10H7-6 -multiplicity 2 -1 C u0 p0 c0 {3,B} {4,S} {6,B} -2 C u0 p0 c0 {3,S} {5,S} {9,D} -3 C u0 p0 c0 {1,B} {2,S} {10,B} -4 C u0 p0 c0 {1,S} {5,D} {11,S} -5 C u0 p0 c0 {2,S} {4,D} {12,S} -6 C u0 p0 c0 {1,B} {7,B} {13,S} -7 C u0 p0 c0 {6,B} {8,B} {14,S} -8 *1 C u0 p0 c0 {7,B} {10,B} {15,S} -9 C u0 p0 c0 {2,D} {16,S} {17,S} -10 *2 C u1 p0 c0 {3,B} {8,B} +5 C u0 p0 c0 {3,B} {7,B} {12,S} +6 C u0 p0 c0 {4,B} {7,B} {13,S} +7 C u0 p0 c0 {5,B} {6,B} {14,S} +8 *1 C u0 p0 c0 {2,S} {9,D} {16,S} +9 C u0 p0 c0 {8,D} {17,S} {18,S} +10 H u0 p0 c0 {3,S} 11 H u0 p0 c0 {4,S} 12 H u0 p0 c0 {5,S} 13 H u0 p0 c0 {6,S} 14 H u0 p0 c0 {7,S} -15 *3 H u0 p0 c0 {8,S} -16 H u0 p0 c0 {9,S} +15 H u0 p0 c0 {2,S} +16 *3 H u0 p0 c0 {8,S} 17 H u0 p0 c0 {9,S} +18 H u0 p0 c0 {9,S} -C10H7-5 -multiplicity 2 -1 C u0 p0 c0 {2,B} {3,B} {5,B} -2 C u0 p0 c0 {1,B} {4,B} {8,B} -3 C u0 p0 c0 {1,B} {7,B} {11,S} +C9H8-12 +1 C u0 p0 c0 {2,B} {3,B} {7,S} +2 C u0 p0 c0 {1,B} {4,B} {10,S} +3 C u0 p0 c0 {1,B} {5,B} {11,S} 4 C u0 p0 c0 {2,B} {6,B} {12,S} -5 C u0 p0 c0 {1,B} {9,B} {15,S} -6 C u0 p0 c0 {4,B} {7,B} {13,S} -7 C u0 p0 c0 {3,B} {6,B} {14,S} -8 C u0 p0 c0 {2,B} {10,B} {16,S} -9 *1 C u0 p0 c0 {5,B} {10,B} {17,S} -10 *2 C u1 p0 c0 {8,B} {9,B} +5 C u0 p0 c0 {3,B} {6,B} {13,S} +6 C u0 p0 c0 {4,B} {5,B} {14,S} +7 *1 C u0 p0 c0 {1,S} {9,D} {15,S} +8 C u0 p0 c0 {9,D} {16,S} {17,S} +9 *2 C u0 p0 c0 {7,D} {8,D} +10 H u0 p0 c0 {2,S} 11 H u0 p0 c0 {3,S} 12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {6,S} -14 H u0 p0 c0 {7,S} -15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {8,S} -17 *3 H u0 p0 c0 {9,S} - -C10H7-4 -multiplicity 2 -1 C u0 p0 c0 {2,B} {3,B} {5,B} -2 C u0 p0 c0 {1,B} {4,B} {8,B} -3 C u0 p0 c0 {1,B} {7,B} {15,S} -4 C u0 p0 c0 {2,B} {6,B} {12,S} -5 C u0 p0 c0 {1,B} {9,B} {11,S} -6 C u0 p0 c0 {4,B} {7,B} {13,S} -7 C u0 p0 c0 {3,B} {6,B} {14,S} -8 *1 C u0 p0 c0 {2,B} {10,B} {17,S} -9 C u0 p0 c0 {5,B} {10,B} {16,S} -10 *2 C u1 p0 c0 {8,B} {9,B} -11 H u0 p0 c0 {5,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {6,S} -14 H u0 p0 c0 {7,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {9,S} -17 *3 H u0 p0 c0 {8,S} - -C10H7-3 -multiplicity 2 -1 C u0 p0 c0 {2,B} {3,B} {4,B} -2 C u0 p0 c0 {1,B} {5,B} {10,B} -3 C u0 p0 c0 {1,B} {7,B} {15,S} -4 C u0 p0 c0 {1,B} {8,B} {11,S} -5 C u0 p0 c0 {2,B} {6,B} {12,S} -6 C u0 p0 c0 {5,B} {7,B} {13,S} -7 C u0 p0 c0 {3,B} {6,B} {14,S} -8 C u0 p0 c0 {4,B} {9,B} {16,S} -9 *1 C u0 p0 c0 {8,B} {10,B} {17,S} -10 *2 C u1 p0 c0 {2,B} {9,B} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {5,S} -13 H u0 p0 c0 {6,S} -14 H u0 p0 c0 {7,S} -15 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {7,S} 16 H u0 p0 c0 {8,S} -17 *3 H u0 p0 c0 {9,S} +17 H u0 p0 c0 {8,S} -C10H7-2 +C9H9-14 multiplicity 2 -1 C u0 p0 c0 {2,B} {3,B} {7,S} -2 C u0 p0 c0 {1,B} {4,B} {8,S} -3 C u0 p0 c0 {1,B} {6,B} {14,S} -4 C u0 p0 c0 {2,B} {5,B} {11,S} -5 C u0 p0 c0 {4,B} {6,B} {12,S} -6 C u0 p0 c0 {3,B} {5,B} {13,S} -7 *1 C u0 p0 c0 {1,S} {9,D} {15,S} -8 C u0 p0 c0 {2,S} {10,T} -9 *2 C u1 p0 c0 {7,D} {16,S} -10 C u0 p0 c0 {8,T} {17,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {5,S} -13 H u0 p0 c0 {6,S} -14 H u0 p0 c0 {3,S} -15 *3 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {9,S} -17 H u0 p0 c0 {10,S} - -C10H8-8 -1 C u0 p0 c0 {2,B} {3,B} {4,S} -2 C u0 p0 c0 {1,B} {5,B} {12,S} -3 C u0 p0 c0 {1,B} {6,B} {13,S} -4 C u0 p0 c0 {1,S} {8,D} {11,S} -5 C u0 p0 c0 {2,B} {7,B} {14,S} -6 C u0 p0 c0 {3,B} {7,B} {15,S} +1 *1 C u0 p0 c0 {2,S} {9,S} {10,S} {11,S} +2 C u0 p0 c0 {1,S} {3,B} {4,B} +3 C u0 p0 c0 {2,B} {5,B} {12,S} +4 C u0 p0 c0 {2,B} {6,B} {13,S} +5 C u0 p0 c0 {3,B} {7,B} {14,S} +6 C u0 p0 c0 {4,B} {7,B} {15,S} 7 C u0 p0 c0 {5,B} {6,B} {16,S} -8 C u0 p0 c0 {4,D} {9,S} {17,S} -9 *2 C u0 p0 c0 {8,S} {10,T} -10 *1 C u0 p0 c0 {9,T} {18,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {3,S} +8 C u0 p0 c0 {9,D} {17,S} {18,S} +9 *2 C u1 p0 c0 {1,S} {8,D} +10 H u0 p0 c0 {1,S} +11 *3 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {4,S} 14 H u0 p0 c0 {5,S} 15 H u0 p0 c0 {6,S} 16 H u0 p0 c0 {7,S} 17 H u0 p0 c0 {8,S} -18 H u0 p0 c0 {10,S} +18 H u0 p0 c0 {8,S} -C10H8-9 -1 *2 C u0 p0 c0 {2,B} {3,B} {4,B} -2 C u0 p0 c0 {1,B} {5,B} {6,B} -3 *1 C u0 p0 c0 {1,B} {7,B} {11,S} -4 C u0 p0 c0 {1,B} {8,B} {12,S} -5 C u0 p0 c0 {2,B} {9,B} {13,S} -6 C u0 p0 c0 {2,B} {10,B} {14,S} -7 C u0 p0 c0 {3,B} {9,B} {15,S} -8 C u0 p0 c0 {4,B} {10,B} {16,S} -9 C u0 p0 c0 {5,B} {7,B} {17,S} -10 C u0 p0 c0 {6,B} {8,B} {18,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {4,S} +C9H8-13 +1 C u0 p0 c0 {2,S} {8,S} {10,S} {11,S} +2 C u0 p0 c0 {1,S} {3,B} {4,B} +3 C u0 p0 c0 {2,B} {5,B} {12,S} +4 C u0 p0 c0 {2,B} {7,B} {16,S} +5 C u0 p0 c0 {3,B} {6,B} {13,S} +6 C u0 p0 c0 {5,B} {7,B} {14,S} +7 C u0 p0 c0 {4,B} {6,B} {15,S} +8 *2 C u0 p0 c0 {1,S} {9,T} +9 *1 C u0 p0 c0 {8,T} {17,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {3,S} 13 H u0 p0 c0 {5,S} 14 H u0 p0 c0 {6,S} 15 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {8,S} +16 H u0 p0 c0 {4,S} 17 H u0 p0 c0 {9,S} -18 H u0 p0 c0 {10,S} -C10H8-2 -1 C u0 p0 c0 {2,D} {3,S} {4,S} -2 C u0 p0 c0 {1,D} {5,S} {6,S} -3 *1 C u0 p0 c0 {1,S} {7,D} {11,S} -4 C u0 p0 c0 {1,S} {8,D} {12,S} -5 C u0 p0 c0 {2,S} {9,D} {13,S} -6 C u0 p0 c0 {2,S} {10,D} {14,S} -7 *2 C u0 p0 c0 {3,D} {8,S} {15,S} -8 C u0 p0 c0 {4,D} {7,S} {16,S} -9 C u0 p0 c0 {5,D} {10,S} {17,S} -10 C u0 p0 c0 {6,D} {9,S} {18,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {4,S} +C9H9-15 +multiplicity 2 +1 C u0 p0 c0 {2,S} {9,S} {10,S} {11,S} +2 C u0 p0 c0 {1,S} {3,B} {4,B} +3 C u0 p0 c0 {2,B} {5,B} {12,S} +4 C u0 p0 c0 {2,B} {7,B} {16,S} +5 C u0 p0 c0 {3,B} {6,B} {13,S} +6 C u0 p0 c0 {5,B} {7,B} {14,S} +7 C u0 p0 c0 {4,B} {6,B} {15,S} +8 *1 C u0 p0 c0 {9,D} {17,S} {18,S} +9 *2 C u1 p0 c0 {1,S} {8,D} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {3,S} 13 H u0 p0 c0 {5,S} 14 H u0 p0 c0 {6,S} 15 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {8,S} -17 H u0 p0 c0 {9,S} -18 H u0 p0 c0 {10,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {8,S} +18 *3 H u0 p0 c0 {8,S} -C10H8-3 -1 C u0 p0 c0 {2,D} {3,S} {4,S} -2 C u0 p0 c0 {1,D} {5,S} {6,S} -3 *2 C u0 p0 c0 {1,S} {7,D} {11,S} -4 C u0 p0 c0 {1,S} {8,D} {12,S} -5 C u0 p0 c0 {2,S} {9,D} {13,S} -6 C u0 p0 c0 {2,S} {10,D} {14,S} -7 *1 C u0 p0 c0 {3,D} {8,S} {15,S} -8 C u0 p0 c0 {4,D} {7,S} {16,S} -9 C u0 p0 c0 {5,D} {10,S} {17,S} -10 C u0 p0 c0 {6,D} {9,S} {18,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {4,S} +C9H8-14 +1 C u0 p0 c0 {2,S} {8,S} {10,S} {11,S} +2 C u0 p0 c0 {1,S} {3,B} {4,B} +3 C u0 p0 c0 {2,B} {5,B} {12,S} +4 C u0 p0 c0 {2,B} {7,B} {16,S} +5 C u0 p0 c0 {3,B} {6,B} {13,S} +6 C u0 p0 c0 {5,B} {7,B} {14,S} +7 C u0 p0 c0 {4,B} {6,B} {15,S} +8 *1 C u0 p0 c0 {1,S} {9,T} +9 *2 C u0 p0 c0 {8,T} {17,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {3,S} 13 H u0 p0 c0 {5,S} 14 H u0 p0 c0 {6,S} 15 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {8,S} +16 H u0 p0 c0 {4,S} 17 H u0 p0 c0 {9,S} -18 H u0 p0 c0 {10,S} -C10H8-4 -1 *1 C u0 p0 c0 {2,B} {3,B} {5,B} -2 C u0 p0 c0 {1,B} {4,B} {6,B} -3 C u0 p0 c0 {1,B} {7,B} {13,S} -4 C u0 p0 c0 {2,B} {8,B} {14,S} -5 *2 C u0 p0 c0 {1,B} {9,B} {15,S} -6 C u0 p0 c0 {2,B} {10,B} {16,S} -7 C u0 p0 c0 {3,B} {8,B} {11,S} -8 C u0 p0 c0 {4,B} {7,B} {12,S} -9 C u0 p0 c0 {5,B} {10,B} {17,S} -10 C u0 p0 c0 {6,B} {9,B} {18,S} -11 H u0 p0 c0 {7,S} -12 H u0 p0 c0 {8,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {6,S} -17 H u0 p0 c0 {9,S} -18 H u0 p0 c0 {10,S} +C9H9-16 +multiplicity 2 +1 C u0 p0 c0 {2,S} {8,S} {10,S} {11,S} +2 C u0 p0 c0 {1,S} {3,B} {4,B} +3 C u0 p0 c0 {2,B} {5,B} {12,S} +4 C u0 p0 c0 {2,B} {7,B} {16,S} +5 C u0 p0 c0 {3,B} {6,B} {13,S} +6 C u0 p0 c0 {5,B} {7,B} {14,S} +7 C u0 p0 c0 {4,B} {6,B} {15,S} +8 *1 C u0 p0 c0 {1,S} {9,D} {17,S} +9 *2 C u1 p0 c0 {8,D} {18,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {4,S} +17 *3 H u0 p0 c0 {8,S} +18 H u0 p0 c0 {9,S} -C10H8-5 -1 C u0 p0 c0 {2,B} {3,B} {4,S} -2 C u0 p0 c0 {1,B} {5,B} {12,S} +C8H6 +1 C u0 p0 c0 {2,B} {3,B} {7,S} +2 C u0 p0 c0 {1,B} {4,B} {9,S} 3 C u0 p0 c0 {1,B} {6,B} {13,S} -4 *1 C u0 p0 c0 {1,S} {8,D} {11,S} -5 C u0 p0 c0 {2,B} {7,B} {14,S} -6 C u0 p0 c0 {3,B} {7,B} {15,S} -7 C u0 p0 c0 {5,B} {6,B} {16,S} -8 *2 C u0 p0 c0 {4,D} {9,S} {17,S} -9 C u0 p0 c0 {8,S} {10,T} -10 C u0 p0 c0 {9,T} {18,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {2,S} +4 C u0 p0 c0 {2,B} {5,B} {10,S} +5 C u0 p0 c0 {4,B} {6,B} {11,S} +6 C u0 p0 c0 {3,B} {5,B} {12,S} +7 *1 C u0 p0 c0 {1,S} {8,T} +8 *2 C u0 p0 c0 {7,T} {14,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {4,S} +11 H u0 p0 c0 {5,S} +12 H u0 p0 c0 {6,S} 13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {6,S} -16 H u0 p0 c0 {7,S} -17 H u0 p0 c0 {8,S} -18 H u0 p0 c0 {10,S} +14 H u0 p0 c0 {8,S} -C10H8-6 -1 C u0 p0 c0 {2,B} {3,B} {4,S} -2 C u0 p0 c0 {1,B} {5,B} {12,S} +C9H9-17 +multiplicity 2 +1 *3 C u0 p0 c0 {3,S} {10,S} {11,S} {12,S} +2 C u0 p0 c0 {3,S} {4,B} {5,B} +3 *1 C u0 p0 c0 {1,S} {2,S} {9,D} +4 C u0 p0 c0 {2,B} {6,B} {13,S} +5 C u0 p0 c0 {2,B} {8,B} {17,S} +6 C u0 p0 c0 {4,B} {7,B} {14,S} +7 C u0 p0 c0 {6,B} {8,B} {15,S} +8 C u0 p0 c0 {5,B} {7,B} {16,S} +9 *2 C u1 p0 c0 {3,D} {18,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {8,S} +17 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {9,S} + +C8H6-2 +1 C u0 p0 c0 {2,B} {3,B} {7,S} +2 C u0 p0 c0 {1,B} {4,B} {9,S} 3 C u0 p0 c0 {1,B} {6,B} {13,S} -4 C u0 p0 c0 {1,S} {8,D} {11,S} -5 C u0 p0 c0 {2,B} {7,B} {14,S} -6 C u0 p0 c0 {3,B} {7,B} {15,S} -7 C u0 p0 c0 {5,B} {6,B} {16,S} -8 C u0 p0 c0 {4,D} {9,S} {17,S} -9 *1 C u0 p0 c0 {8,S} {10,T} -10 *2 C u0 p0 c0 {9,T} {18,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {2,S} +4 C u0 p0 c0 {2,B} {5,B} {10,S} +5 C u0 p0 c0 {4,B} {6,B} {11,S} +6 C u0 p0 c0 {3,B} {5,B} {12,S} +7 *2 C u0 p0 c0 {1,S} {8,T} +8 *1 C u0 p0 c0 {7,T} {14,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {4,S} +11 H u0 p0 c0 {5,S} +12 H u0 p0 c0 {6,S} 13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {6,S} -16 H u0 p0 c0 {7,S} -17 H u0 p0 c0 {8,S} -18 H u0 p0 c0 {10,S} +14 H u0 p0 c0 {8,S} -C10H8-7 -1 C u0 p0 c0 {2,B} {3,B} {4,S} -2 C u0 p0 c0 {1,B} {5,B} {12,S} -3 C u0 p0 c0 {1,B} {6,B} {13,S} -4 *2 C u0 p0 c0 {1,S} {8,D} {11,S} -5 C u0 p0 c0 {2,B} {7,B} {14,S} -6 C u0 p0 c0 {3,B} {7,B} {15,S} -7 C u0 p0 c0 {5,B} {6,B} {16,S} -8 *1 C u0 p0 c0 {4,D} {9,S} {17,S} -9 C u0 p0 c0 {8,S} {10,T} -10 C u0 p0 c0 {9,T} {18,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {2,S} +C9H9-18 +multiplicity 2 +1 *3 C u0 p0 c0 {8,S} {10,S} {11,S} {12,S} +2 C u0 p0 c0 {3,B} {4,B} {9,S} +3 C u0 p0 c0 {2,B} {5,B} {13,S} +4 C u0 p0 c0 {2,B} {7,B} {17,S} +5 C u0 p0 c0 {3,B} {6,B} {14,S} +6 C u0 p0 c0 {5,B} {7,B} {15,S} +7 C u0 p0 c0 {4,B} {6,B} {16,S} +8 *1 C u0 p0 c0 {1,S} {9,D} {18,S} +9 *2 C u1 p0 c0 {2,S} {8,D} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {1,S} 13 H u0 p0 c0 {3,S} 14 H u0 p0 c0 {5,S} 15 H u0 p0 c0 {6,S} 16 H u0 p0 c0 {7,S} -17 H u0 p0 c0 {8,S} -18 H u0 p0 c0 {10,S} - -C2H2O -1 O u0 p2 c0 {3,D} -2 *2 C u0 p0 c0 {3,D} {4,S} {5,S} -3 *1 C u0 p0 c0 {1,D} {2,D} -4 H u0 p0 c0 {2,S} -5 H u0 p0 c0 {2,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {8,S} -C9H11-8 -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {10,S} {11,S} -2 *1 C u0 p0 c0 {1,S} {9,S} {12,S} {13,S} -3 C u0 p0 c0 {1,S} {4,B} {5,B} -4 C u0 p0 c0 {3,B} {6,B} {14,S} -5 C u0 p0 c0 {3,B} {7,B} {15,S} -6 C u0 p0 c0 {4,B} {8,B} {16,S} -7 C u0 p0 c0 {5,B} {8,B} {17,S} -8 C u0 p0 c0 {6,B} {7,B} {18,S} -9 *2 C u1 p0 c0 {2,S} {19,S} {20,S} -10 H u0 p0 c0 {1,S} +C10H10-11 +1 C u0 p0 c0 {3,S} {6,S} {11,S} {12,S} +2 C u0 p0 c0 {4,S} {13,S} {14,S} {15,S} +3 C u0 p0 c0 {1,S} {5,B} {7,B} +4 *1 C u0 p0 c0 {2,S} {5,S} {6,D} +5 C u0 p0 c0 {3,B} {4,S} {8,B} +6 *2 C u0 p0 c0 {1,S} {4,D} {16,S} +7 C u0 p0 c0 {3,B} {9,B} {17,S} +8 C u0 p0 c0 {5,B} {10,B} {18,S} +9 C u0 p0 c0 {7,B} {10,B} {19,S} +10 C u0 p0 c0 {8,B} {9,B} {20,S} 11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {2,S} -13 *3 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {5,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {2,S} 16 H u0 p0 c0 {6,S} 17 H u0 p0 c0 {7,S} 18 H u0 p0 c0 {8,S} 19 H u0 p0 c0 {9,S} -20 H u0 p0 c0 {9,S} +20 H u0 p0 c0 {10,S} -C9H11-9 +C10H11-17 multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {5,S} {6,S} {10,S} -2 C u0 p0 c0 {1,S} {3,S} {13,S} {14,S} -3 C u0 p0 c0 {2,S} {4,S} {11,S} {12,S} -4 C u0 p0 c0 {3,S} {5,S} {15,S} {16,S} -5 C u0 p0 c0 {1,S} {4,S} {7,D} -6 *2 C u1 p0 c0 {1,S} {8,S} {17,S} -7 C u0 p0 c0 {5,D} {9,S} {20,S} -8 C u0 p0 c0 {6,S} {9,D} {18,S} -9 C u0 p0 c0 {7,S} {8,D} {19,S} -10 *3 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {3,S} +1 *1 C u0 p0 c0 {3,S} {4,S} {6,S} {11,S} +2 C u0 p0 c0 {5,S} {6,S} {12,S} {13,S} +3 C u0 p0 c0 {1,S} {14,S} {15,S} {16,S} +4 C u0 p0 c0 {1,S} {5,B} {8,B} +5 C u0 p0 c0 {2,S} {4,B} {7,B} +6 *2 C u1 p0 c0 {1,S} {2,S} {17,S} +7 C u0 p0 c0 {5,B} {9,B} {18,S} +8 C u0 p0 c0 {4,B} {10,B} {19,S} +9 C u0 p0 c0 {7,B} {10,B} {20,S} +10 C u0 p0 c0 {8,B} {9,B} {21,S} +11 *3 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {6,S} +18 H u0 p0 c0 {7,S} +19 H u0 p0 c0 {8,S} +20 H u0 p0 c0 {9,S} +21 H u0 p0 c0 {10,S} + +C10H10-12 +1 C u0 p0 c0 {2,S} {3,S} {5,S} {11,S} +2 C u0 p0 c0 {1,S} {12,S} {13,S} {14,S} +3 C u0 p0 c0 {1,S} {4,B} {6,B} +4 C u0 p0 c0 {3,B} {7,S} {8,B} +5 *2 C u0 p0 c0 {1,S} {7,D} {15,S} +6 C u0 p0 c0 {3,B} {10,B} {17,S} +7 *1 C u0 p0 c0 {4,S} {5,D} {20,S} +8 C u0 p0 c0 {4,B} {9,B} {16,S} +9 C u0 p0 c0 {8,B} {10,B} {18,S} +10 C u0 p0 c0 {6,B} {9,B} {19,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {2,S} 13 H u0 p0 c0 {2,S} 14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {8,S} 17 H u0 p0 c0 {6,S} -18 H u0 p0 c0 {8,S} -19 H u0 p0 c0 {9,S} +18 H u0 p0 c0 {9,S} +19 H u0 p0 c0 {10,S} 20 H u0 p0 c0 {7,S} -C9H11-6 +C10H11-18 multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {3,S} {9,S} {10,S} -2 *3 C u0 p0 c0 {1,S} {11,S} {12,S} {13,S} -3 C u0 p0 c0 {1,S} {4,B} {5,B} -4 C u0 p0 c0 {3,B} {6,B} {14,S} -5 C u0 p0 c0 {3,B} {7,B} {15,S} -6 C u0 p0 c0 {4,B} {8,B} {16,S} -7 C u0 p0 c0 {5,B} {8,B} {17,S} -8 C u0 p0 c0 {6,B} {7,B} {18,S} -9 *2 C u1 p0 c0 {1,S} {19,S} {20,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {2,S} +1 C u0 p0 c0 {3,S} {4,S} {6,S} {11,S} +2 *1 C u0 p0 c0 {5,S} {6,S} {12,S} {13,S} +3 C u0 p0 c0 {1,S} {14,S} {15,S} {16,S} +4 C u0 p0 c0 {1,S} {5,B} {7,B} +5 C u0 p0 c0 {2,S} {4,B} {8,B} +6 *2 C u1 p0 c0 {1,S} {2,S} {17,S} +7 C u0 p0 c0 {4,B} {10,B} {19,S} +8 C u0 p0 c0 {5,B} {9,B} {18,S} +9 C u0 p0 c0 {8,B} {10,B} {20,S} +10 C u0 p0 c0 {7,B} {9,B} {21,S} +11 H u0 p0 c0 {1,S} 12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {6,S} -17 H u0 p0 c0 {7,S} +13 *3 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {6,S} 18 H u0 p0 c0 {8,S} -19 H u0 p0 c0 {9,S} +19 H u0 p0 c0 {7,S} 20 H u0 p0 c0 {9,S} +21 H u0 p0 c0 {10,S} -C9H11-7 +C10H11-19 multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {3,S} {9,S} {10,S} -2 C u0 p0 c0 {1,S} {11,S} {12,S} {13,S} -3 C u0 p0 c0 {1,S} {4,B} {5,B} -4 C u0 p0 c0 {3,B} {6,B} {14,S} -5 C u0 p0 c0 {3,B} {7,B} {15,S} -6 C u0 p0 c0 {4,B} {8,B} {16,S} -7 C u0 p0 c0 {5,B} {8,B} {17,S} -8 C u0 p0 c0 {6,B} {7,B} {18,S} -9 *2 C u1 p0 c0 {1,S} {19,S} {20,S} -10 *3 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {2,S} +1 *1 C u0 p0 c0 {3,S} {4,S} {6,S} {11,S} +2 C u0 p0 c0 {5,S} {6,S} {12,S} {13,S} +3 *3 C u0 p0 c0 {1,S} {14,S} {15,S} {16,S} +4 C u0 p0 c0 {1,S} {5,B} {8,B} +5 C u0 p0 c0 {2,S} {4,B} {7,B} +6 *2 C u1 p0 c0 {1,S} {2,S} {17,S} +7 C u0 p0 c0 {5,B} {10,B} {21,S} +8 C u0 p0 c0 {4,B} {9,B} {18,S} +9 C u0 p0 c0 {8,B} {10,B} {19,S} +10 C u0 p0 c0 {7,B} {9,B} {20,S} +11 H u0 p0 c0 {1,S} 12 H u0 p0 c0 {2,S} 13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {6,S} -17 H u0 p0 c0 {7,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {6,S} 18 H u0 p0 c0 {8,S} 19 H u0 p0 c0 {9,S} -20 H u0 p0 c0 {9,S} +20 H u0 p0 c0 {10,S} +21 H u0 p0 c0 {7,S} -C9H11-4 -multiplicity 2 -1 C u0 p0 c0 {3,S} {4,S} {10,S} {11,S} -2 *1 C u0 p0 c0 {4,S} {12,S} {13,S} {14,S} -3 C u0 p0 c0 {1,S} {5,B} {6,B} -4 *2 C u1 p0 c0 {1,S} {2,S} {15,S} -5 C u0 p0 c0 {3,B} {7,B} {16,S} -6 C u0 p0 c0 {3,B} {9,B} {19,S} -7 C u0 p0 c0 {5,B} {8,B} {17,S} -8 C u0 p0 c0 {7,B} {9,B} {18,S} -9 C u0 p0 c0 {6,B} {8,B} {20,S} -10 H u0 p0 c0 {1,S} +C10H10-13 +1 C u0 p0 c0 {3,S} {4,S} {11,S} {12,S} +2 C u0 p0 c0 {3,S} {13,S} {14,S} {15,S} +3 *1 C u0 p0 c0 {1,S} {2,S} {6,D} +4 C u0 p0 c0 {1,S} {5,B} {7,B} +5 C u0 p0 c0 {4,B} {6,S} {8,B} +6 *2 C u0 p0 c0 {3,D} {5,S} {20,S} +7 C u0 p0 c0 {4,B} {9,B} {16,S} +8 C u0 p0 c0 {5,B} {10,B} {17,S} +9 C u0 p0 c0 {7,B} {10,B} {18,S} +10 C u0 p0 c0 {8,B} {9,B} {19,S} 11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {1,S} 13 H u0 p0 c0 {2,S} -14 *3 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {5,S} -17 H u0 p0 c0 {7,S} -18 H u0 p0 c0 {8,S} -19 H u0 p0 c0 {6,S} -20 H u0 p0 c0 {9,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {2,S} +16 H u0 p0 c0 {7,S} +17 H u0 p0 c0 {8,S} +18 H u0 p0 c0 {9,S} +19 H u0 p0 c0 {10,S} +20 H u0 p0 c0 {6,S} -C9H11-5 +C10H11-20 multiplicity 2 -1 *1 C u0 p0 c0 {3,S} {4,S} {10,S} {11,S} -2 C u0 p0 c0 {4,S} {12,S} {13,S} {14,S} -3 C u0 p0 c0 {1,S} {5,B} {6,B} -4 *2 C u1 p0 c0 {1,S} {2,S} {15,S} -5 C u0 p0 c0 {3,B} {7,B} {16,S} -6 C u0 p0 c0 {3,B} {9,B} {19,S} -7 C u0 p0 c0 {5,B} {8,B} {17,S} -8 C u0 p0 c0 {7,B} {9,B} {18,S} -9 C u0 p0 c0 {6,B} {8,B} {20,S} -10 H u0 p0 c0 {1,S} +1 *1 C u0 p0 c0 {2,S} {3,S} {6,S} {11,S} +2 C u0 p0 c0 {1,S} {4,S} {12,S} {13,S} +3 C u0 p0 c0 {1,S} {14,S} {15,S} {16,S} +4 C u0 p0 c0 {2,S} {5,B} {7,B} +5 C u0 p0 c0 {4,B} {6,S} {8,B} +6 *2 C u1 p0 c0 {1,S} {5,S} {17,S} +7 C u0 p0 c0 {4,B} {9,B} {18,S} +8 C u0 p0 c0 {5,B} {10,B} {19,S} +9 C u0 p0 c0 {7,B} {10,B} {20,S} +10 C u0 p0 c0 {8,B} {9,B} {21,S} 11 *3 H u0 p0 c0 {1,S} 12 H u0 p0 c0 {2,S} 13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {5,S} -17 H u0 p0 c0 {7,S} -18 H u0 p0 c0 {8,S} -19 H u0 p0 c0 {6,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {6,S} +18 H u0 p0 c0 {7,S} +19 H u0 p0 c0 {8,S} 20 H u0 p0 c0 {9,S} +21 H u0 p0 c0 {10,S} -C9H11-2 +C10H11-21 multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {3,S} {9,S} {10,S} -2 C u0 p0 c0 {1,S} {11,S} {12,S} {13,S} -3 *3 C u0 p0 c0 {1,S} {4,B} {5,B} -4 C u0 p0 c0 {3,B} {7,B} {17,S} -5 C u0 p0 c0 {3,B} {8,B} {18,S} -6 C u0 p0 c0 {7,B} {8,B} {15,S} -7 C u0 p0 c0 {4,B} {6,B} {14,S} -8 C u0 p0 c0 {5,B} {6,B} {16,S} -9 *2 C u1 p0 c0 {1,S} {19,S} {20,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {2,S} +1 *1 C u0 p0 c0 {2,S} {3,S} {6,S} {11,S} +2 C u0 p0 c0 {1,S} {4,S} {12,S} {13,S} +3 *3 C u0 p0 c0 {1,S} {14,S} {15,S} {16,S} +4 C u0 p0 c0 {2,S} {5,B} {7,B} +5 C u0 p0 c0 {4,B} {6,S} {8,B} +6 *2 C u1 p0 c0 {1,S} {5,S} {17,S} +7 C u0 p0 c0 {4,B} {10,B} {21,S} +8 C u0 p0 c0 {5,B} {9,B} {18,S} +9 C u0 p0 c0 {8,B} {10,B} {19,S} +10 C u0 p0 c0 {7,B} {9,B} {20,S} +11 H u0 p0 c0 {1,S} 12 H u0 p0 c0 {2,S} 13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {7,S} -15 H u0 p0 c0 {6,S} -16 H u0 p0 c0 {8,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {6,S} +18 H u0 p0 c0 {8,S} 19 H u0 p0 c0 {9,S} -20 H u0 p0 c0 {9,S} +20 H u0 p0 c0 {10,S} +21 H u0 p0 c0 {7,S} -C9H11-3 +C10H11-22 multiplicity 2 -1 *3 C u0 p0 c0 {2,S} {3,S} {12,S} {13,S} -2 *1 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} -3 C u0 p0 c0 {1,S} {4,B} {5,B} -4 C u0 p0 c0 {3,B} {6,B} {14,S} -5 C u0 p0 c0 {3,B} {8,B} {18,S} -6 C u0 p0 c0 {4,B} {7,B} {15,S} -7 C u0 p0 c0 {6,B} {8,B} {16,S} -8 C u0 p0 c0 {5,B} {7,B} {17,S} -9 *2 C u1 p0 c0 {2,S} {19,S} {20,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {2,S} +1 *1 C u0 p0 c0 {2,S} {3,S} {11,S} {12,S} +2 *3 C u0 p0 c0 {1,S} {4,B} {5,B} +3 *2 C u1 p0 c0 {1,S} {9,S} {13,S} +4 C u0 p0 c0 {2,B} {8,B} {18,S} +5 C u0 p0 c0 {2,B} {7,B} {19,S} +6 C u0 p0 c0 {7,B} {8,B} {16,S} +7 C u0 p0 c0 {5,B} {6,B} {15,S} +8 C u0 p0 c0 {4,B} {6,B} {17,S} +9 C u0 p0 c0 {3,S} {10,D} {14,S} +10 C u0 p0 c0 {9,D} {20,S} {21,S} +11 H u0 p0 c0 {1,S} 12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {1,S} -14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {6,S} -16 H u0 p0 c0 {7,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {9,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {6,S} 17 H u0 p0 c0 {8,S} -18 H u0 p0 c0 {5,S} -19 H u0 p0 c0 {9,S} -20 H u0 p0 c0 {9,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {5,S} +20 H u0 p0 c0 {10,S} +21 H u0 p0 c0 {10,S} -C9H11-1 +C4H6-2 +1 *1 C u0 p0 c0 {2,S} {3,D} {5,S} +2 C u0 p0 c0 {1,S} {4,D} {6,S} +3 *2 C u0 p0 c0 {1,D} {7,S} {8,S} +4 C u0 p0 c0 {2,D} {9,S} {10,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {3,S} +8 H u0 p0 c0 {3,S} +9 H u0 p0 c0 {4,S} +10 H u0 p0 c0 {4,S} + +C10H11-23 multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {4,S} {10,S} {11,S} -2 *3 C u0 p0 c0 {1,S} {12,S} {13,S} {14,S} -3 C u0 p0 c0 {4,S} {5,B} {6,B} -4 *2 C u1 p0 c0 {1,S} {3,S} {15,S} -5 C u0 p0 c0 {3,B} {7,B} {16,S} -6 C u0 p0 c0 {3,B} {9,B} {20,S} -7 C u0 p0 c0 {5,B} {8,B} {17,S} -8 C u0 p0 c0 {7,B} {9,B} {18,S} -9 C u0 p0 c0 {6,B} {8,B} {19,S} -10 H u0 p0 c0 {1,S} +1 *1 C u0 p0 c0 {2,S} {3,S} {9,S} {11,S} +2 *3 C u0 p0 c0 {1,S} {4,B} {5,B} +3 C u0 p0 c0 {1,S} {10,D} {12,S} +4 C u0 p0 c0 {2,B} {8,B} {16,S} +5 C u0 p0 c0 {2,B} {7,B} {17,S} +6 C u0 p0 c0 {7,B} {8,B} {14,S} +7 C u0 p0 c0 {5,B} {6,B} {13,S} +8 C u0 p0 c0 {4,B} {6,B} {15,S} +9 *2 C u1 p0 c0 {1,S} {18,S} {19,S} +10 C u0 p0 c0 {3,D} {20,S} {21,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {7,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {8,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {9,S} +19 H u0 p0 c0 {9,S} +20 H u0 p0 c0 {10,S} +21 H u0 p0 c0 {10,S} + +C10H11-24 +multiplicity 2 +1 *1 C u0 p0 c0 {2,S} {3,S} {11,S} {12,S} +2 C u0 p0 c0 {1,S} {4,B} {5,B} +3 *2 C u1 p0 c0 {1,S} {9,S} {13,S} +4 C u0 p0 c0 {2,B} {6,B} {15,S} +5 C u0 p0 c0 {2,B} {7,B} {16,S} +6 C u0 p0 c0 {4,B} {8,B} {17,S} +7 C u0 p0 c0 {5,B} {8,B} {18,S} +8 C u0 p0 c0 {6,B} {7,B} {19,S} +9 C u0 p0 c0 {3,S} {10,D} {14,S} +10 C u0 p0 c0 {9,D} {20,S} {21,S} 11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {2,S} +12 *3 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {9,S} 15 H u0 p0 c0 {4,S} 16 H u0 p0 c0 {5,S} +17 H u0 p0 c0 {6,S} +18 H u0 p0 c0 {7,S} +19 H u0 p0 c0 {8,S} +20 H u0 p0 c0 {10,S} +21 H u0 p0 c0 {10,S} + +C10H10-14 +1 C u0 p0 c0 {2,S} {3,B} {4,B} +2 *1 C u0 p0 c0 {1,S} {5,D} {13,S} +3 C u0 p0 c0 {1,B} {6,B} {14,S} +4 C u0 p0 c0 {1,B} {7,B} {15,S} +5 *2 C u0 p0 c0 {2,D} {9,S} {12,S} +6 C u0 p0 c0 {3,B} {8,B} {16,S} +7 C u0 p0 c0 {4,B} {8,B} {17,S} +8 C u0 p0 c0 {6,B} {7,B} {18,S} +9 C u0 p0 c0 {5,S} {10,D} {11,S} +10 C u0 p0 c0 {9,D} {19,S} {20,S} +11 H u0 p0 c0 {9,S} +12 H u0 p0 c0 {5,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {6,S} 17 H u0 p0 c0 {7,S} 18 H u0 p0 c0 {8,S} -19 H u0 p0 c0 {9,S} -20 H u0 p0 c0 {6,S} +19 H u0 p0 c0 {10,S} +20 H u0 p0 c0 {10,S} -C10H8-12 -1 C u0 p0 c0 {2,B} {3,B} {9,S} -2 C u0 p0 c0 {1,B} {4,B} {11,S} -3 C u0 p0 c0 {1,B} {6,B} {15,S} -4 C u0 p0 c0 {2,B} {5,B} {12,S} -5 C u0 p0 c0 {4,B} {6,B} {13,S} -6 C u0 p0 c0 {3,B} {5,B} {14,S} -7 C u0 p0 c0 {8,D} {10,S} {16,S} -8 C u0 p0 c0 {7,D} {17,S} {18,S} -9 *2 C u0 p0 c0 {1,S} {10,T} -10 *1 C u0 p0 c0 {7,S} {9,T} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {7,S} -17 H u0 p0 c0 {8,S} -18 H u0 p0 c0 {8,S} +C8H7 +multiplicity 2 +1 C u0 p0 c0 {2,B} {5,S} {8,B} +2 C u0 p0 c0 {1,B} {3,B} {10,S} +3 C u0 p0 c0 {2,B} {4,B} {11,S} +4 C u0 p0 c0 {3,B} {6,B} {9,S} +5 C u0 p0 c0 {1,S} {7,D} {12,S} +6 C u0 p0 c0 {4,B} {8,B} {13,S} +7 C u0 p0 c0 {5,D} {14,S} {15,S} +8 *3 C u1 p0 c0 {1,B} {6,B} +9 H u0 p0 c0 {4,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {5,S} +13 H u0 p0 c0 {6,S} +14 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {7,S} -C10H8-13 +C10H9-20 +multiplicity 2 1 C u0 p0 c0 {2,B} {3,B} {7,S} -2 C u0 p0 c0 {1,B} {4,B} {11,S} -3 C u0 p0 c0 {1,B} {6,B} {15,S} -4 C u0 p0 c0 {2,B} {5,B} {12,S} -5 C u0 p0 c0 {4,B} {6,B} {13,S} -6 C u0 p0 c0 {3,B} {5,B} {14,S} -7 C u0 p0 c0 {1,S} {9,D} {16,S} -8 *2 C u0 p0 c0 {10,D} {17,S} {18,S} -9 C u0 p0 c0 {7,D} {10,D} -10 *1 C u0 p0 c0 {8,D} {9,D} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {7,S} -17 H u0 p0 c0 {8,S} -18 H u0 p0 c0 {8,S} - -C10H8-10 -1 *1 C u0 p0 c0 {2,B} {3,B} {4,B} -2 *2 C u0 p0 c0 {1,B} {5,B} {6,B} -3 C u0 p0 c0 {1,B} {7,B} {11,S} -4 C u0 p0 c0 {1,B} {8,B} {12,S} -5 C u0 p0 c0 {2,B} {9,B} {13,S} -6 C u0 p0 c0 {2,B} {10,B} {14,S} -7 C u0 p0 c0 {3,B} {9,B} {15,S} -8 C u0 p0 c0 {4,B} {10,B} {16,S} -9 C u0 p0 c0 {5,B} {7,B} {17,S} -10 C u0 p0 c0 {6,B} {8,B} {18,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {4,S} +2 *3 C u0 p0 c0 {1,B} {4,B} {8,S} +3 C u0 p0 c0 {1,B} {5,B} {12,S} +4 C u0 p0 c0 {2,B} {6,B} {15,S} +5 C u0 p0 c0 {3,B} {6,B} {13,S} +6 C u0 p0 c0 {4,B} {5,B} {11,S} +7 C u0 p0 c0 {1,S} {9,D} {14,S} +8 *1 C u0 p0 c0 {2,S} {10,D} {16,S} +9 C u0 p0 c0 {7,D} {17,S} {18,S} +10 *2 C u1 p0 c0 {8,D} {19,S} +11 H u0 p0 c0 {6,S} +12 H u0 p0 c0 {3,S} 13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {7,S} +14 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {4,S} 16 H u0 p0 c0 {8,S} 17 H u0 p0 c0 {9,S} -18 H u0 p0 c0 {10,S} +18 H u0 p0 c0 {9,S} +19 H u0 p0 c0 {10,S} -C10H8-11 -1 C u0 p0 c0 {2,B} {3,B} {9,S} -2 C u0 p0 c0 {1,B} {4,B} {11,S} -3 C u0 p0 c0 {1,B} {6,B} {15,S} -4 C u0 p0 c0 {2,B} {5,B} {12,S} -5 C u0 p0 c0 {4,B} {6,B} {13,S} -6 C u0 p0 c0 {3,B} {5,B} {14,S} -7 C u0 p0 c0 {8,D} {10,S} {16,S} -8 C u0 p0 c0 {7,D} {17,S} {18,S} -9 *1 C u0 p0 c0 {1,S} {10,T} -10 *2 C u0 p0 c0 {7,S} {9,T} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {7,S} -17 H u0 p0 c0 {8,S} +C10H9-21 +multiplicity 2 +1 *1 C u0 p0 c0 {4,S} {5,S} {11,S} {12,S} +2 C u0 p0 c0 {3,B} {4,S} {7,B} +3 C u0 p0 c0 {2,B} {6,S} {8,B} +4 *2 C u1 p0 c0 {1,S} {2,S} {13,S} +5 C u0 p0 c0 {1,S} {6,D} {14,S} +6 C u0 p0 c0 {3,S} {5,D} {16,S} +7 C u0 p0 c0 {2,B} {9,B} {15,S} +8 C u0 p0 c0 {3,B} {10,B} {18,S} +9 C u0 p0 c0 {7,B} {10,B} {17,S} +10 C u0 p0 c0 {8,B} {9,B} {19,S} +11 H u0 p0 c0 {1,S} +12 *3 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {6,S} +17 H u0 p0 c0 {9,S} 18 H u0 p0 c0 {8,S} +19 H u0 p0 c0 {10,S} C10H8-16 1 C u0 p0 c0 {2,B} {3,B} {4,B} @@ -5274,6 +5144,28 @@ C10H8-16 17 H u0 p0 c0 {6,S} 18 H u0 p0 c0 {10,S} +C10H9-22 +multiplicity 2 +1 *1 C u0 p0 c0 {2,S} {4,S} {10,S} {11,S} +2 C u0 p0 c0 {1,S} {3,B} {5,B} +3 C u0 p0 c0 {2,B} {6,S} {7,B} +4 C u0 p0 c0 {1,S} {6,D} {12,S} +5 C u0 p0 c0 {2,B} {8,B} {13,S} +6 C u0 p0 c0 {3,S} {4,D} {14,S} +7 C u0 p0 c0 {3,B} {9,B} {16,S} +8 C u0 p0 c0 {5,B} {9,B} {15,S} +9 C u0 p0 c0 {7,B} {8,B} {17,S} +10 *2 C u1 p0 c0 {1,S} {18,S} {19,S} +11 *3 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {8,S} +16 H u0 p0 c0 {7,S} +17 H u0 p0 c0 {9,S} +18 H u0 p0 c0 {10,S} +19 H u0 p0 c0 {10,S} + C10H8-17 1 C u0 p0 c0 {2,B} {3,S} {5,B} 2 C u0 p0 c0 {1,B} {6,S} {7,B} @@ -5294,41 +5186,27 @@ C10H8-17 17 H u0 p0 c0 {10,S} 18 H u0 p0 c0 {10,S} -C10H8-14 -1 C u0 p0 c0 {2,B} {3,B} {7,S} -2 C u0 p0 c0 {1,B} {4,B} {11,S} -3 C u0 p0 c0 {1,B} {6,B} {15,S} -4 C u0 p0 c0 {2,B} {5,B} {12,S} -5 C u0 p0 c0 {4,B} {6,B} {13,S} -6 C u0 p0 c0 {3,B} {5,B} {14,S} -7 *2 C u0 p0 c0 {1,S} {9,D} {16,S} -8 C u0 p0 c0 {10,D} {17,S} {18,S} -9 *1 C u0 p0 c0 {7,D} {10,D} -10 C u0 p0 c0 {8,D} {9,D} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {7,S} -17 H u0 p0 c0 {8,S} -18 H u0 p0 c0 {8,S} - -C4H7O2 +C10H9-23 multiplicity 2 -1 *2 O u1 p2 c0 {4,S} -2 O u0 p2 c0 {6,D} -3 *3 C u0 p0 c0 {4,S} {6,S} {7,S} {8,S} -4 *1 C u0 p0 c0 {1,S} {3,S} {9,S} {10,S} -5 C u0 p0 c0 {6,S} {11,S} {12,S} {13,S} -6 C u0 p0 c0 {2,D} {3,S} {5,S} -7 H u0 p0 c0 {3,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {4,S} -10 H u0 p0 c0 {4,S} -11 H u0 p0 c0 {5,S} -12 H u0 p0 c0 {5,S} +1 C u0 p0 c0 {2,B} {3,B} {5,S} +2 C u0 p0 c0 {1,B} {4,B} {8,S} +3 C u0 p0 c0 {1,B} {7,B} {12,S} +4 C u0 p0 c0 {2,B} {6,B} {11,S} +5 C u0 p0 c0 {1,S} {9,D} {13,S} +6 C u0 p0 c0 {4,B} {7,B} {14,S} +7 C u0 p0 c0 {3,B} {6,B} {15,S} +8 *1 C u0 p0 c0 {2,S} {10,D} {16,S} +9 C u0 p0 c0 {5,D} {17,S} {18,S} +10 *2 C u1 p0 c0 {8,D} {19,S} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {3,S} 13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {7,S} +16 *3 H u0 p0 c0 {8,S} +17 H u0 p0 c0 {9,S} +18 H u0 p0 c0 {9,S} +19 H u0 p0 c0 {10,S} C10H8-18 1 C u0 p0 c0 {2,B} {3,B} {5,S} @@ -5350,6 +5228,28 @@ C10H8-18 17 H u0 p0 c0 {8,S} 18 H u0 p0 c0 {10,S} +C10H9-24 +multiplicity 2 +1 *1 C u0 p0 c0 {2,S} {11,S} {12,S} {13,S} +2 *2 C u1 p0 c0 {1,S} {3,S} {5,S} +3 C u0 p0 c0 {2,S} {4,B} {8,B} +4 C u0 p0 c0 {3,B} {6,B} {7,S} +5 C u0 p0 c0 {2,S} {7,D} {19,S} +6 C u0 p0 c0 {4,B} {9,B} {14,S} +7 C u0 p0 c0 {4,S} {5,D} {17,S} +8 C u0 p0 c0 {3,B} {10,B} {18,S} +9 C u0 p0 c0 {6,B} {10,B} {15,S} +10 C u0 p0 c0 {8,B} {9,B} {16,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {1,S} +13 *3 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {9,S} +16 H u0 p0 c0 {10,S} +17 H u0 p0 c0 {7,S} +18 H u0 p0 c0 {8,S} +19 H u0 p0 c0 {5,S} + C10H8-19 1 C u0 p0 c0 {2,B} {3,S} {6,B} 2 C u0 p0 c0 {1,B} {4,B} {5,S} @@ -5370,237 +5270,418 @@ C10H8-19 17 H u0 p0 c0 {10,S} 18 H u0 p0 c0 {10,S} -C7H6-3 -1 C u0 p0 c0 {2,S} {3,S} {7,D} -2 *1 C u0 p0 c0 {1,S} {4,D} {8,S} -3 C u0 p0 c0 {1,S} {5,D} {9,S} -4 *2 C u0 p0 c0 {2,D} {5,S} {10,S} -5 C u0 p0 c0 {3,D} {4,S} {11,S} -6 C u0 p0 c0 {7,D} {12,S} {13,S} -7 C u0 p0 c0 {1,D} {6,D} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {3,S} -10 H u0 p0 c0 {4,S} -11 H u0 p0 c0 {5,S} -12 H u0 p0 c0 {6,S} -13 H u0 p0 c0 {6,S} +C10H9-25 +multiplicity 2 +1 *1 C u0 p0 c0 {2,S} {5,S} {11,S} {12,S} +2 C u0 p0 c0 {1,S} {3,S} {10,D} +3 C u0 p0 c0 {2,S} {4,B} {6,B} +4 C u0 p0 c0 {3,B} {5,S} {7,B} +5 *2 C u1 p0 c0 {1,S} {4,S} {13,S} +6 C u0 p0 c0 {3,B} {8,B} {14,S} +7 C u0 p0 c0 {4,B} {9,B} {16,S} +8 C u0 p0 c0 {6,B} {9,B} {15,S} +9 C u0 p0 c0 {7,B} {8,B} {17,S} +10 C u0 p0 c0 {2,D} {18,S} {19,S} +11 H u0 p0 c0 {1,S} +12 *3 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {8,S} +16 H u0 p0 c0 {7,S} +17 H u0 p0 c0 {9,S} +18 H u0 p0 c0 {10,S} +19 H u0 p0 c0 {10,S} -C7H6-2 -1 C u0 p0 c0 {2,S} {3,S} {8,S} {9,S} -2 C u0 p0 c0 {1,S} {4,D} {6,S} -3 C u0 p0 c0 {1,S} {5,D} {10,S} -4 C u0 p0 c0 {2,D} {5,S} {11,S} -5 C u0 p0 c0 {3,D} {4,S} {12,S} -6 *1 C u0 p0 c0 {2,S} {7,T} -7 *2 C u0 p0 c0 {6,T} {13,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {3,S} +C10H8-20 +1 C u0 p0 c0 {2,B} {3,S} {6,B} +2 C u0 p0 c0 {1,B} {5,S} {7,B} +3 C u0 p0 c0 {1,S} {4,S} {10,D} +4 *1 C u0 p0 c0 {3,S} {5,D} {11,S} +5 *2 C u0 p0 c0 {2,S} {4,D} {12,S} +6 C u0 p0 c0 {1,B} {8,B} {13,S} +7 C u0 p0 c0 {2,B} {9,B} {15,S} +8 C u0 p0 c0 {6,B} {9,B} {14,S} +9 C u0 p0 c0 {7,B} {8,B} {16,S} +10 C u0 p0 c0 {3,D} {17,S} {18,S} 11 H u0 p0 c0 {4,S} 12 H u0 p0 c0 {5,S} -13 H u0 p0 c0 {7,S} +13 H u0 p0 c0 {6,S} +14 H u0 p0 c0 {8,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {9,S} +17 H u0 p0 c0 {10,S} +18 H u0 p0 c0 {10,S} -C7H9-6 +C10H9-26 multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {3,S} {8,S} {9,S} -2 *3 C u0 p0 c0 {1,S} {10,S} {11,S} {12,S} -3 *2 C u1 p0 c0 {1,S} {4,S} {5,S} -4 C u0 p0 c0 {3,S} {6,D} {14,S} -5 C u0 p0 c0 {3,S} {7,D} {16,S} -6 C u0 p0 c0 {4,D} {7,S} {13,S} -7 C u0 p0 c0 {5,D} {6,S} {15,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {2,S} +1 *2 C u0 p0 c0 {2,B} {3,B} {7,S} +2 C u0 p0 c0 {1,B} {4,B} {10,S} +3 C u0 p0 c0 {1,B} {5,B} {11,S} +4 C u0 p0 c0 {2,B} {6,B} {12,S} +5 C u0 p0 c0 {3,B} {6,B} {13,S} +6 C u0 p0 c0 {4,B} {5,B} {14,S} +7 *1 C u0 p0 c0 {1,S} {8,D} {15,S} +8 C u0 p0 c0 {7,D} {16,S} {17,S} +9 C u0 p0 c0 {10,D} {18,S} {19,S} +10 C u1 p0 c0 {2,S} {9,D} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {6,S} +15 *3 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {8,S} +17 H u0 p0 c0 {8,S} +18 H u0 p0 c0 {9,S} +19 H u0 p0 c0 {9,S} + +C10H8-21 +1 *2 C u0 p0 c0 {2,S} {3,S} {9,D} +2 C u0 p0 c0 {1,S} {4,S} {10,D} +3 C u0 p0 c0 {1,S} {5,D} {11,S} +4 C u0 p0 c0 {2,S} {6,D} {12,S} +5 C u0 p0 c0 {3,D} {6,S} {13,S} +6 C u0 p0 c0 {4,D} {5,S} {14,S} +7 C u0 p0 c0 {9,D} {15,S} {16,S} +8 C u0 p0 c0 {10,D} {17,S} {18,S} +9 *1 C u0 p0 c0 {1,D} {7,D} +10 C u0 p0 c0 {2,D} {8,D} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {7,S} +17 H u0 p0 c0 {8,S} +18 H u0 p0 c0 {8,S} + +C10H9-27 +multiplicity 2 +1 *1 C u0 p0 c0 {4,S} {5,S} {10,S} {11,S} +2 C u0 p0 c0 {3,S} {4,D} {6,S} +3 C u0 p0 c0 {2,S} {5,D} {7,S} +4 C u0 p0 c0 {1,S} {2,D} {12,S} +5 C u0 p0 c0 {1,S} {3,D} {13,S} +6 C u0 p0 c0 {2,S} {8,D} {14,S} +7 C u0 p0 c0 {3,S} {9,D} {15,S} +8 C u0 p0 c0 {6,D} {9,S} {16,S} +9 C u0 p0 c0 {7,D} {8,S} {17,S} +10 *2 C u1 p0 c0 {1,S} {18,S} {19,S} +11 *3 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {8,S} +17 H u0 p0 c0 {9,S} +18 H u0 p0 c0 {10,S} +19 H u0 p0 c0 {10,S} + +C10H8-22 +1 C u0 p0 c0 {2,S} {4,D} {6,S} +2 C u0 p0 c0 {1,S} {5,D} {7,S} +3 *1 C u0 p0 c0 {4,S} {5,S} {10,D} +4 C u0 p0 c0 {1,D} {3,S} {11,S} +5 C u0 p0 c0 {2,D} {3,S} {12,S} +6 C u0 p0 c0 {1,S} {8,D} {13,S} +7 C u0 p0 c0 {2,S} {9,D} {14,S} +8 C u0 p0 c0 {6,D} {9,S} {15,S} +9 C u0 p0 c0 {7,D} {8,S} {16,S} +10 *2 C u0 p0 c0 {3,D} {17,S} {18,S} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {5,S} 13 H u0 p0 c0 {6,S} +14 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {8,S} +16 H u0 p0 c0 {9,S} +17 H u0 p0 c0 {10,S} +18 H u0 p0 c0 {10,S} + +C10H9-28 +multiplicity 2 +1 *1 C u0 p0 c0 {2,S} {4,S} {11,S} {12,S} +2 C u0 p0 c0 {1,S} {3,B} {5,B} +3 C u0 p0 c0 {2,B} {6,S} {7,B} +4 *2 C u1 p0 c0 {1,S} {8,S} {13,S} +5 C u0 p0 c0 {2,B} {9,B} {15,S} +6 C u0 p0 c0 {3,S} {8,D} {16,S} +7 C u0 p0 c0 {3,B} {10,B} {17,S} +8 C u0 p0 c0 {4,S} {6,D} {14,S} +9 C u0 p0 c0 {5,B} {10,B} {18,S} +10 C u0 p0 c0 {7,B} {9,B} {19,S} +11 H u0 p0 c0 {1,S} +12 *3 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {8,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {6,S} +17 H u0 p0 c0 {7,S} +18 H u0 p0 c0 {9,S} +19 H u0 p0 c0 {10,S} + +C10H8-23 +1 C u0 p0 c0 {2,B} {3,B} {4,B} +2 C u0 p0 c0 {1,B} {5,B} {6,B} +3 *1 C u0 p0 c0 {1,B} {7,B} {11,S} +4 C u0 p0 c0 {1,B} {9,B} {14,S} +5 C u0 p0 c0 {2,B} {8,B} {15,S} +6 C u0 p0 c0 {2,B} {10,B} {16,S} +7 *2 C u0 p0 c0 {3,B} {8,B} {12,S} +8 C u0 p0 c0 {5,B} {7,B} {13,S} +9 C u0 p0 c0 {4,B} {10,B} {17,S} +10 C u0 p0 c0 {6,B} {9,B} {18,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {7,S} +13 H u0 p0 c0 {8,S} 14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {6,S} +17 H u0 p0 c0 {9,S} +18 H u0 p0 c0 {10,S} + +C10H9-29 +multiplicity 2 +1 *1 C u0 p0 c0 {2,S} {11,S} {12,S} {13,S} +2 *2 C u1 p0 c0 {1,S} {5,S} {6,S} +3 C u0 p0 c0 {4,S} {5,D} {7,S} +4 C u0 p0 c0 {3,S} {6,D} {8,S} +5 C u0 p0 c0 {2,S} {3,D} {14,S} +6 C u0 p0 c0 {2,S} {4,D} {16,S} +7 C u0 p0 c0 {3,S} {9,D} {15,S} +8 C u0 p0 c0 {4,S} {10,D} {18,S} +9 C u0 p0 c0 {7,D} {10,S} {17,S} +10 C u0 p0 c0 {8,D} {9,S} {19,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {1,S} +13 *3 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {5,S} 15 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {6,S} +17 H u0 p0 c0 {9,S} +18 H u0 p0 c0 {8,S} +19 H u0 p0 c0 {10,S} + +C10H8-24 +1 C u0 p0 c0 {2,S} {4,D} {6,S} +2 C u0 p0 c0 {1,S} {5,D} {7,S} +3 *2 C u0 p0 c0 {4,S} {5,S} {10,D} +4 C u0 p0 c0 {1,D} {3,S} {11,S} +5 C u0 p0 c0 {2,D} {3,S} {13,S} +6 C u0 p0 c0 {1,S} {8,D} {12,S} +7 C u0 p0 c0 {2,S} {9,D} {15,S} +8 C u0 p0 c0 {6,D} {9,S} {14,S} +9 C u0 p0 c0 {7,D} {8,S} {16,S} +10 *1 C u0 p0 c0 {3,D} {17,S} {18,S} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {6,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {8,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {9,S} +17 H u0 p0 c0 {10,S} +18 H u0 p0 c0 {10,S} -C6H9 +C10H9-30 multiplicity 2 -1 *3 C u0 p0 c0 {2,S} {3,S} {7,S} {8,S} -2 *1 C u0 p0 c0 {1,S} {4,S} {5,D} -3 C u0 p0 c0 {1,S} {6,D} {9,S} -4 *2 C u1 p0 c0 {2,S} {10,S} {11,S} -5 C u0 p0 c0 {2,D} {12,S} {13,S} -6 C u0 p0 c0 {3,D} {14,S} {15,S} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {3,S} -10 H u0 p0 c0 {4,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {5,S} +1 *1 C u0 p0 c0 {2,S} {3,S} {11,S} {12,S} +2 *2 C u0 p0 c0 {1,S} {4,B} {6,B} +3 C u0 p0 c0 {1,S} {5,S} {10,D} +4 C u0 p0 c0 {2,B} {5,S} {7,B} +5 C u1 p0 c0 {3,S} {4,S} {13,S} +6 C u0 p0 c0 {2,B} {8,B} {14,S} +7 C u0 p0 c0 {4,B} {9,B} {15,S} +8 C u0 p0 c0 {6,B} {9,B} {16,S} +9 C u0 p0 c0 {7,B} {8,B} {17,S} +10 C u0 p0 c0 {3,D} {18,S} {19,S} +11 H u0 p0 c0 {1,S} +12 *3 H u0 p0 c0 {1,S} 13 H u0 p0 c0 {5,S} 14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {8,S} +17 H u0 p0 c0 {9,S} +18 H u0 p0 c0 {10,S} +19 H u0 p0 c0 {10,S} -C6H8 -1 C u0 p0 c0 {2,S} {3,S} {7,S} {8,S} -2 C u0 p0 c0 {1,S} {4,S} {9,S} {10,S} -3 C u0 p0 c0 {1,S} {5,S} {6,D} -4 *2 C u0 p0 c0 {2,S} {5,D} {11,S} -5 *1 C u0 p0 c0 {3,S} {4,D} {12,S} -6 C u0 p0 c0 {3,D} {13,S} {14,S} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} +C10H8-25 +1 *2 C u0 p0 c0 {2,S} {4,D} {6,S} +2 C u0 p0 c0 {1,S} {5,D} {7,S} +3 C u0 p0 c0 {4,S} {5,S} {10,D} +4 *1 C u0 p0 c0 {1,D} {3,S} {11,S} +5 C u0 p0 c0 {2,D} {3,S} {12,S} +6 C u0 p0 c0 {1,S} {8,D} {13,S} +7 C u0 p0 c0 {2,S} {9,D} {14,S} +8 C u0 p0 c0 {6,D} {9,S} {15,S} +9 C u0 p0 c0 {7,D} {8,S} {16,S} +10 C u0 p0 c0 {3,D} {17,S} {18,S} 11 H u0 p0 c0 {4,S} 12 H u0 p0 c0 {5,S} 13 H u0 p0 c0 {6,S} -14 H u0 p0 c0 {6,S} +14 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {8,S} +16 H u0 p0 c0 {9,S} +17 H u0 p0 c0 {10,S} +18 H u0 p0 c0 {10,S} -C7H9-7 +C10H9-31 multiplicity 2 -1 *1 C u0 p0 c0 {3,S} {4,S} {6,S} {8,S} -2 C u0 p0 c0 {3,S} {5,S} {9,S} {10,S} -3 *2 C u1 p0 c0 {1,S} {2,S} {11,S} -4 C u0 p0 c0 {1,S} {5,D} {13,S} -5 C u0 p0 c0 {2,S} {4,D} {12,S} -6 *3 C u0 p0 c0 {1,S} {7,D} {14,S} -7 C u0 p0 c0 {6,D} {15,S} {16,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {5,S} -13 H u0 p0 c0 {4,S} -14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {7,S} +1 *1 C u0 p0 c0 {2,S} {5,S} {11,S} {12,S} +2 C u0 p0 c0 {1,S} {3,B} {6,B} +3 C u0 p0 c0 {2,B} {4,S} {7,B} +4 C u0 p0 c0 {3,S} {5,S} {10,D} +5 *2 C u1 p0 c0 {1,S} {4,S} {13,S} +6 C u0 p0 c0 {2,B} {9,B} {16,S} +7 C u0 p0 c0 {3,B} {8,B} {14,S} +8 C u0 p0 c0 {7,B} {9,B} {15,S} +9 C u0 p0 c0 {6,B} {8,B} {17,S} +10 C u0 p0 c0 {4,D} {18,S} {19,S} +11 H u0 p0 c0 {1,S} +12 *3 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {8,S} +16 H u0 p0 c0 {6,S} +17 H u0 p0 c0 {9,S} +18 H u0 p0 c0 {10,S} +19 H u0 p0 c0 {10,S} -C6H7 -multiplicity 2 -1 *3 C u0 p0 c0 {3,S} {5,S} {7,S} {8,S} -2 C u0 p0 c0 {4,S} {9,S} {10,S} {11,S} -3 *1 C u0 p0 c0 {1,S} {4,D} {12,S} -4 *2 C u1 p0 c0 {2,S} {3,D} -5 C u0 p0 c0 {1,S} {6,T} -6 C u0 p0 c0 {5,T} {13,S} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {3,S} +C10H8-26 +1 C u0 p0 c0 {2,B} {3,S} {6,B} +2 C u0 p0 c0 {1,B} {5,S} {7,B} +3 C u0 p0 c0 {1,S} {4,S} {10,D} +4 *2 C u0 p0 c0 {3,S} {5,D} {11,S} +5 *1 C u0 p0 c0 {2,S} {4,D} {12,S} +6 C u0 p0 c0 {1,B} {8,B} {13,S} +7 C u0 p0 c0 {2,B} {9,B} {15,S} +8 C u0 p0 c0 {6,B} {9,B} {14,S} +9 C u0 p0 c0 {7,B} {8,B} {16,S} +10 C u0 p0 c0 {3,D} {17,S} {18,S} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {5,S} 13 H u0 p0 c0 {6,S} +14 H u0 p0 c0 {8,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {9,S} +17 H u0 p0 c0 {10,S} +18 H u0 p0 c0 {10,S} -C6H6 -1 *2 C u0 p0 c0 {2,S} {3,S} {6,D} -2 C u0 p0 c0 {1,S} {4,D} {8,S} -3 C u0 p0 c0 {1,S} {5,D} {10,S} -4 C u0 p0 c0 {2,D} {5,S} {7,S} -5 C u0 p0 c0 {3,D} {4,S} {9,S} -6 *1 C u0 p0 c0 {1,D} {11,S} {12,S} -7 H u0 p0 c0 {4,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {5,S} -10 H u0 p0 c0 {3,S} -11 H u0 p0 c0 {6,S} -12 H u0 p0 c0 {6,S} +C10H10-16 +multiplicity 3 +1 *1 C u0 p0 c0 {3,S} {4,S} {6,S} {11,S} +2 C u0 p0 c0 {3,S} {5,S} {12,S} {13,S} +3 *2 C u1 p0 c0 {1,S} {2,S} {7,S} +4 C u0 p0 c0 {1,S} {5,S} {10,D} +5 C u1 p0 c0 {2,S} {4,S} {14,S} +6 C u0 p0 c0 {1,S} {8,D} {15,S} +7 C u0 p0 c0 {3,S} {9,D} {17,S} +8 C u0 p0 c0 {6,D} {9,S} {16,S} +9 C u0 p0 c0 {7,D} {8,S} {18,S} +10 C u0 p0 c0 {4,D} {19,S} {20,S} +11 *3 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {6,S} +16 H u0 p0 c0 {8,S} +17 H u0 p0 c0 {7,S} +18 H u0 p0 c0 {9,S} +19 H u0 p0 c0 {10,S} +20 H u0 p0 c0 {10,S} -C6H5 +C10H9-32 multiplicity 2 -1 C u0 p0 c0 {2,B} {3,B} {8,S} -2 C u0 p0 c0 {1,B} {4,B} {7,S} -3 C u0 p0 c0 {1,B} {5,B} {9,S} -4 C u0 p0 c0 {2,B} {6,B} {10,S} -5 C u0 p0 c0 {3,B} {6,B} {11,S} -6 *3 C u1 p0 c0 {4,B} {5,B} -7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {3,S} -10 H u0 p0 c0 {4,S} -11 H u0 p0 c0 {5,S} +1 C u0 p0 c0 {2,S} {5,S} {11,S} {12,S} +2 *2 C u0 p0 c0 {1,S} {3,B} {6,B} +3 *1 C u0 p0 c0 {2,B} {4,S} {7,B} +4 C u0 p0 c0 {3,S} {5,S} {10,D} +5 C u1 p0 c0 {1,S} {4,S} {13,S} +6 C u0 p0 c0 {2,B} {9,B} {16,S} +7 C u0 p0 c0 {3,B} {8,B} {14,S} +8 C u0 p0 c0 {7,B} {9,B} {15,S} +9 C u0 p0 c0 {6,B} {8,B} {17,S} +10 C u0 p0 c0 {4,D} {18,S} {19,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {8,S} +16 H u0 p0 c0 {6,S} +17 H u0 p0 c0 {9,S} +18 H u0 p0 c0 {10,S} +19 H u0 p0 c0 {10,S} -C7H7-2 +C8H5 multiplicity 2 -1 *2 C u1 p0 c0 {2,S} {3,S} {6,S} -2 C u0 p0 c0 {1,S} {4,D} {8,S} -3 C u0 p0 c0 {1,S} {5,D} {11,S} -4 C u0 p0 c0 {2,D} {5,S} {9,S} -5 C u0 p0 c0 {3,D} {4,S} {10,S} -6 *1 C u0 p0 c0 {1,S} {7,D} {12,S} -7 C u0 p0 c0 {6,D} {13,S} {14,S} -8 H u0 p0 c0 {2,S} +1 C u0 p0 c0 {3,B} {6,B} {7,S} +2 C u0 p0 c0 {3,B} {4,B} {10,S} +3 C u0 p0 c0 {1,B} {2,B} {11,S} +4 C u0 p0 c0 {2,B} {5,B} {9,S} +5 C u0 p0 c0 {4,B} {6,B} {12,S} +6 *3 C u1 p0 c0 {1,B} {5,B} +7 C u0 p0 c0 {1,S} {8,T} +8 C u0 p0 c0 {7,T} {13,S} 9 H u0 p0 c0 {4,S} -10 H u0 p0 c0 {5,S} +10 H u0 p0 c0 {2,S} 11 H u0 p0 c0 {3,S} -12 *3 H u0 p0 c0 {6,S} -13 H u0 p0 c0 {7,S} -14 H u0 p0 c0 {7,S} +12 H u0 p0 c0 {5,S} +13 H u0 p0 c0 {8,S} -C7H9-9 +C10H7 multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {8,S} -2 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} -3 *2 C u1 p0 c0 {1,S} {5,S} {12,S} -4 C u0 p0 c0 {1,S} {6,D} {13,S} -5 C u0 p0 c0 {3,S} {7,D} {15,S} -6 C u0 p0 c0 {4,D} {7,S} {16,S} -7 C u0 p0 c0 {5,D} {6,S} {14,S} -8 *3 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {3,S} +1 *3 C u0 p0 c0 {2,B} {3,B} {7,S} +2 C u0 p0 c0 {1,B} {4,B} {8,S} +3 C u0 p0 c0 {1,B} {6,B} {14,S} +4 C u0 p0 c0 {2,B} {5,B} {13,S} +5 C u0 p0 c0 {4,B} {6,B} {12,S} +6 C u0 p0 c0 {3,B} {5,B} {11,S} +7 *1 C u0 p0 c0 {1,S} {9,D} {15,S} +8 C u0 p0 c0 {2,S} {10,T} +9 *2 C u1 p0 c0 {7,D} {16,S} +10 C u0 p0 c0 {8,T} {17,S} +11 H u0 p0 c0 {6,S} +12 H u0 p0 c0 {5,S} 13 H u0 p0 c0 {4,S} -14 H u0 p0 c0 {7,S} -15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {6,S} - -C3H4-3 -1 *1 C u0 p0 c0 {3,D} {4,S} {5,S} -2 C u0 p0 c0 {3,D} {6,S} {7,S} -3 *2 C u0 p0 c0 {1,D} {2,D} -4 H u0 p0 c0 {1,S} -5 H u0 p0 c0 {1,S} -6 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {2,S} - -C3H4-2 -1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} -2 *2 C u0 p0 c0 {1,S} {3,T} -3 *1 C u0 p0 c0 {2,T} {7,S} -4 H u0 p0 c0 {1,S} -5 H u0 p0 c0 {1,S} -6 H u0 p0 c0 {1,S} -7 H u0 p0 c0 {3,S} - -C3H4-4 -1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} -2 *1 C u0 p0 c0 {1,S} {3,T} -3 *2 C u0 p0 c0 {2,T} {7,S} -4 H u0 p0 c0 {1,S} -5 H u0 p0 c0 {1,S} -6 H u0 p0 c0 {1,S} -7 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {9,S} +17 H u0 p0 c0 {10,S} -C7H13_2 -multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {3,S} {5,S} {8,S} -2 *3 C u0 p0 c0 {1,S} {6,S} {9,S} {10,S} -3 C u0 p0 c0 {1,S} {11,S} {12,S} {13,S} -4 C u0 p0 c0 {5,S} {14,S} {15,S} {16,S} -5 *2 C u1 p0 c0 {1,S} {4,S} {17,S} -6 C u0 p0 c0 {2,S} {7,D} {18,S} -7 C u0 p0 c0 {6,D} {19,S} {20,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} +C10H6 +1 C u0 p0 c0 {2,B} {3,B} {8,S} +2 C u0 p0 c0 {1,B} {4,B} {7,S} +3 C u0 p0 c0 {1,B} {5,B} {11,S} +4 C u0 p0 c0 {2,B} {6,B} {14,S} +5 C u0 p0 c0 {3,B} {6,B} {12,S} +6 C u0 p0 c0 {4,B} {5,B} {13,S} +7 *1 C u0 p0 c0 {2,S} {9,T} +8 C u0 p0 c0 {1,S} {10,T} +9 *2 C u0 p0 c0 {7,T} {15,S} +10 C u0 p0 c0 {8,T} {16,S} 11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {5,S} +13 H u0 p0 c0 {6,S} 14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {5,S} -18 H u0 p0 c0 {6,S} -19 H u0 p0 c0 {7,S} -20 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {9,S} +16 H u0 p0 c0 {10,S} + +C10H7-2 +multiplicity 2 +1 C u0 p0 c0 {2,B} {3,B} {7,S} +2 C u0 p0 c0 {1,B} {4,B} {8,S} +3 C u0 p0 c0 {1,B} {6,B} {14,S} +4 C u0 p0 c0 {2,B} {5,B} {11,S} +5 C u0 p0 c0 {4,B} {6,B} {12,S} +6 C u0 p0 c0 {3,B} {5,B} {13,S} +7 *1 C u0 p0 c0 {1,S} {9,D} {15,S} +8 C u0 p0 c0 {2,S} {10,T} +9 *2 C u1 p0 c0 {7,D} {16,S} +10 C u0 p0 c0 {8,T} {17,S} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {5,S} +13 H u0 p0 c0 {6,S} +14 H u0 p0 c0 {3,S} +15 *3 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {9,S} +17 H u0 p0 c0 {10,S} C10H6-2 1 C u0 p0 c0 {2,B} {3,B} {4,S} @@ -5620,6 +5701,26 @@ C10H6-2 15 H u0 p0 c0 {3,S} 16 H u0 p0 c0 {8,S} +C10H7-3 +multiplicity 2 +1 C u0 p0 c0 {2,B} {3,B} {4,B} +2 C u0 p0 c0 {1,B} {5,B} {10,B} +3 C u0 p0 c0 {1,B} {7,B} {15,S} +4 C u0 p0 c0 {1,B} {8,B} {11,S} +5 C u0 p0 c0 {2,B} {6,B} {12,S} +6 C u0 p0 c0 {5,B} {7,B} {13,S} +7 C u0 p0 c0 {3,B} {6,B} {14,S} +8 C u0 p0 c0 {4,B} {9,B} {16,S} +9 *1 C u0 p0 c0 {8,B} {10,B} {17,S} +10 *2 C u1 p0 c0 {2,B} {9,B} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {5,S} +13 H u0 p0 c0 {6,S} +14 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {8,S} +17 *3 H u0 p0 c0 {9,S} + C10H6-3 1 C u0 p0 c0 {2,B} {3,B} {4,S} 2 C u0 p0 c0 {1,B} {5,B} {9,S} @@ -5638,27 +5739,25 @@ C10H6-3 15 H u0 p0 c0 {3,S} 16 H u0 p0 c0 {8,S} -N2 -1 *1 N u0 p1 c0 {2,T} -2 *2 N u0 p1 c0 {1,T} - -C10H6-6 -1 C u0 p0 c0 {2,B} {3,S} {4,B} -2 C u0 p0 c0 {1,B} {5,B} {9,S} -3 C u0 p0 c0 {1,S} {8,D} {10,S} -4 C u0 p0 c0 {1,B} {6,B} {11,S} -5 C u0 p0 c0 {2,B} {7,B} {14,S} -6 C u0 p0 c0 {4,B} {7,B} {12,S} -7 C u0 p0 c0 {5,B} {6,B} {13,S} -8 C u0 p0 c0 {3,D} {15,S} {16,S} -9 *1 C u0 p0 c0 {2,S} {10,T} -10 *2 C u0 p0 c0 {3,S} {9,T} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {6,S} -13 H u0 p0 c0 {7,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {8,S} -16 H u0 p0 c0 {8,S} +C10H7-4 +multiplicity 2 +1 C u0 p0 c0 {2,B} {3,B} {5,B} +2 C u0 p0 c0 {1,B} {4,B} {8,B} +3 C u0 p0 c0 {1,B} {7,B} {15,S} +4 C u0 p0 c0 {2,B} {6,B} {12,S} +5 C u0 p0 c0 {1,B} {9,B} {11,S} +6 C u0 p0 c0 {4,B} {7,B} {13,S} +7 C u0 p0 c0 {3,B} {6,B} {14,S} +8 *1 C u0 p0 c0 {2,B} {10,B} {17,S} +9 C u0 p0 c0 {5,B} {10,B} {16,S} +10 *2 C u1 p0 c0 {8,B} {9,B} +11 H u0 p0 c0 {5,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {6,S} +14 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {9,S} +17 *3 H u0 p0 c0 {8,S} C10H6-4 1 C u0 p0 c0 {2,B} {3,B} {7,S} @@ -5678,6 +5777,26 @@ C10H6-4 15 H u0 p0 c0 {7,S} 16 H u0 p0 c0 {8,S} +C10H7-5 +multiplicity 2 +1 C u0 p0 c0 {2,B} {3,B} {5,B} +2 C u0 p0 c0 {1,B} {4,B} {8,B} +3 C u0 p0 c0 {1,B} {7,B} {11,S} +4 C u0 p0 c0 {2,B} {6,B} {12,S} +5 C u0 p0 c0 {1,B} {9,B} {15,S} +6 C u0 p0 c0 {4,B} {7,B} {13,S} +7 C u0 p0 c0 {3,B} {6,B} {14,S} +8 C u0 p0 c0 {2,B} {10,B} {16,S} +9 *1 C u0 p0 c0 {5,B} {10,B} {17,S} +10 *2 C u1 p0 c0 {8,B} {9,B} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {6,S} +14 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {8,S} +17 *3 H u0 p0 c0 {9,S} + C10H6-5 1 C u0 p0 c0 {3,D} {4,S} {6,S} 2 C u0 p0 c0 {3,S} {5,S} {8,D} @@ -5696,181 +5815,160 @@ C10H6-5 15 H u0 p0 c0 {8,S} 16 H u0 p0 c0 {8,S} -C10H9-5 -multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {8,S} {11,S} {12,S} -2 *3 C u0 p0 c0 {1,S} {3,B} {4,B} -3 C u0 p0 c0 {2,B} {6,B} {17,S} -4 C u0 p0 c0 {2,B} {7,B} {18,S} -5 C u0 p0 c0 {6,B} {7,B} {16,S} -6 C u0 p0 c0 {3,B} {5,B} {14,S} -7 C u0 p0 c0 {4,B} {5,B} {15,S} -8 *2 C u1 p0 c0 {1,S} {9,S} {13,S} -9 C u0 p0 c0 {8,S} {10,T} -10 C u0 p0 c0 {9,T} {19,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {8,S} -14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {5,S} -17 H u0 p0 c0 {3,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {10,S} - -C10H9-4 +C10H7-6 multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {11,S} -2 C u0 p0 c0 {1,S} {5,S} {6,D} -3 *2 C u1 p0 c0 {1,S} {8,S} {13,S} -4 C u0 p0 c0 {1,S} {7,D} {12,S} -5 C u0 p0 c0 {2,S} {9,D} {16,S} -6 C u0 p0 c0 {2,D} {10,S} {17,S} -7 C u0 p0 c0 {4,D} {9,S} {14,S} -8 C u0 p0 c0 {3,S} {10,D} {18,S} -9 C u0 p0 c0 {5,D} {7,S} {15,S} -10 C u0 p0 c0 {6,S} {8,D} {19,S} -11 *3 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {3,S} +1 C u0 p0 c0 {3,B} {4,S} {6,B} +2 C u0 p0 c0 {3,S} {5,S} {9,D} +3 C u0 p0 c0 {1,B} {2,S} {10,B} +4 C u0 p0 c0 {1,S} {5,D} {11,S} +5 C u0 p0 c0 {2,S} {4,D} {12,S} +6 C u0 p0 c0 {1,B} {7,B} {13,S} +7 C u0 p0 c0 {6,B} {8,B} {14,S} +8 *1 C u0 p0 c0 {7,B} {10,B} {15,S} +9 C u0 p0 c0 {2,D} {16,S} {17,S} +10 *2 C u1 p0 c0 {3,B} {8,B} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {5,S} +13 H u0 p0 c0 {6,S} 14 H u0 p0 c0 {7,S} -15 H u0 p0 c0 {9,S} -16 H u0 p0 c0 {5,S} -17 H u0 p0 c0 {6,S} -18 H u0 p0 c0 {8,S} -19 H u0 p0 c0 {10,S} +15 *3 H u0 p0 c0 {8,S} +16 H u0 p0 c0 {9,S} +17 H u0 p0 c0 {9,S} -C10H9-7 +C10H6-6 +1 C u0 p0 c0 {2,B} {3,S} {4,B} +2 C u0 p0 c0 {1,B} {5,B} {9,S} +3 C u0 p0 c0 {1,S} {8,D} {10,S} +4 C u0 p0 c0 {1,B} {6,B} {11,S} +5 C u0 p0 c0 {2,B} {7,B} {14,S} +6 C u0 p0 c0 {4,B} {7,B} {12,S} +7 C u0 p0 c0 {5,B} {6,B} {13,S} +8 C u0 p0 c0 {3,D} {15,S} {16,S} +9 *1 C u0 p0 c0 {2,S} {10,T} +10 *2 C u0 p0 c0 {3,S} {9,T} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {6,S} +13 H u0 p0 c0 {7,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {8,S} +16 H u0 p0 c0 {8,S} + +C10H7-7 multiplicity 2 -1 *3 C u0 p0 c0 {2,S} {3,B} {4,B} -2 *1 C u0 p0 c0 {1,S} {8,S} {10,D} -3 C u0 p0 c0 {1,B} {6,B} {15,S} -4 C u0 p0 c0 {1,B} {7,B} {16,S} -5 C u0 p0 c0 {6,B} {7,B} {14,S} -6 C u0 p0 c0 {3,B} {5,B} {12,S} -7 C u0 p0 c0 {4,B} {5,B} {13,S} -8 C u0 p0 c0 {2,S} {9,D} {11,S} -9 C u0 p0 c0 {8,D} {17,S} {18,S} -10 *2 C u1 p0 c0 {2,D} {19,S} -11 H u0 p0 c0 {8,S} +1 C u0 p0 c0 {2,B} {3,S} {4,B} +2 C u0 p0 c0 {1,B} {5,B} {8,S} +3 C u0 p0 c0 {1,S} {9,D} {10,S} +4 C u0 p0 c0 {1,B} {6,B} {11,S} +5 C u0 p0 c0 {2,B} {7,B} {14,S} +6 C u0 p0 c0 {4,B} {7,B} {12,S} +7 C u0 p0 c0 {5,B} {6,B} {13,S} +8 *1 C u0 p0 c0 {2,S} {10,D} {15,S} +9 C u0 p0 c0 {3,D} {16,S} {17,S} +10 *2 C u1 p0 c0 {3,S} {8,D} +11 H u0 p0 c0 {4,S} 12 H u0 p0 c0 {6,S} 13 H u0 p0 c0 {7,S} 14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {4,S} +15 *3 H u0 p0 c0 {8,S} +16 H u0 p0 c0 {9,S} 17 H u0 p0 c0 {9,S} -18 H u0 p0 c0 {9,S} -19 H u0 p0 c0 {10,S} -C10H9-6 +C8H7-2 multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {8,S} {11,S} {12,S} -2 C u0 p0 c0 {1,S} {3,B} {4,B} -3 C u0 p0 c0 {2,B} {5,B} {13,S} -4 C u0 p0 c0 {2,B} {6,B} {14,S} -5 C u0 p0 c0 {3,B} {7,B} {15,S} -6 C u0 p0 c0 {4,B} {7,B} {16,S} -7 C u0 p0 c0 {5,B} {6,B} {17,S} -8 *2 C u1 p0 c0 {1,S} {9,S} {18,S} -9 C u0 p0 c0 {8,S} {10,T} -10 C u0 p0 c0 {9,T} {19,S} -11 H u0 p0 c0 {1,S} -12 *3 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {6,S} -17 H u0 p0 c0 {7,S} -18 H u0 p0 c0 {8,S} -19 H u0 p0 c0 {10,S} +1 C u0 p0 c0 {2,B} {3,B} {7,S} +2 C u0 p0 c0 {1,B} {6,B} {11,S} +3 C u0 p0 c0 {1,B} {4,B} {12,S} +4 C u0 p0 c0 {3,B} {5,B} {13,S} +5 C u0 p0 c0 {4,B} {6,B} {10,S} +6 C u0 p0 c0 {2,B} {5,B} {9,S} +7 C u0 p0 c0 {1,S} {8,D} {14,S} +8 *3 C u1 p0 c0 {7,D} {15,S} +9 H u0 p0 c0 {6,S} +10 H u0 p0 c0 {5,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {8,S} -C10H9-3 +C10H9-33 multiplicity 2 -1 *1 C u0 p0 c0 {4,S} {5,S} {11,S} {12,S} -2 C u0 p0 c0 {3,D} {4,S} {6,S} -3 C u0 p0 c0 {2,D} {7,S} {8,S} -4 *2 C u1 p0 c0 {1,S} {2,S} {13,S} -5 C u0 p0 c0 {1,S} {6,D} {14,S} -6 C u0 p0 c0 {2,S} {5,D} {15,S} -7 C u0 p0 c0 {3,S} {9,D} {16,S} -8 C u0 p0 c0 {3,S} {10,D} {17,S} -9 C u0 p0 c0 {7,D} {10,S} {18,S} -10 C u0 p0 c0 {8,D} {9,S} {19,S} -11 H u0 p0 c0 {1,S} -12 *3 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {4,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {6,S} -16 H u0 p0 c0 {7,S} +1 C u0 p0 c0 {2,B} {3,B} {4,S} +2 C u0 p0 c0 {1,B} {7,B} {13,S} +3 C u0 p0 c0 {1,B} {5,B} {14,S} +4 C u0 p0 c0 {1,S} {8,D} {16,S} +5 C u0 p0 c0 {3,B} {6,B} {15,S} +6 C u0 p0 c0 {5,B} {7,B} {12,S} +7 C u0 p0 c0 {2,B} {6,B} {11,S} +8 *3 C u0 p0 c0 {4,D} {9,S} {17,S} +9 *1 C u0 p0 c0 {8,S} {10,D} {18,S} +10 *2 C u1 p0 c0 {9,D} {19,S} +11 H u0 p0 c0 {7,S} +12 H u0 p0 c0 {6,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {4,S} 17 H u0 p0 c0 {8,S} 18 H u0 p0 c0 {9,S} 19 H u0 p0 c0 {10,S} -C10H9-2 +C8H7-3 multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {4,S} {11,S} {12,S} -2 C u0 p0 c0 {1,S} {3,D} {5,S} -3 C u0 p0 c0 {2,D} {6,S} {7,S} -4 *2 C u1 p0 c0 {1,S} {8,S} {13,S} -5 C u0 p0 c0 {2,S} {8,D} {14,S} -6 C u0 p0 c0 {3,S} {9,D} {15,S} -7 C u0 p0 c0 {3,S} {10,D} {16,S} -8 C u0 p0 c0 {4,S} {5,D} {17,S} -9 C u0 p0 c0 {6,D} {10,S} {18,S} -10 C u0 p0 c0 {7,D} {9,S} {19,S} -11 H u0 p0 c0 {1,S} -12 *3 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {4,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {6,S} -16 H u0 p0 c0 {7,S} -17 H u0 p0 c0 {8,S} -18 H u0 p0 c0 {9,S} -19 H u0 p0 c0 {10,S} +1 C u0 p0 c0 {2,B} {3,B} {7,S} +2 C u0 p0 c0 {1,B} {4,B} {9,S} +3 C u0 p0 c0 {1,B} {5,B} {10,S} +4 C u0 p0 c0 {2,B} {6,B} {11,S} +5 C u0 p0 c0 {3,B} {6,B} {12,S} +6 C u0 p0 c0 {4,B} {5,B} {13,S} +7 *1 C u0 p0 c0 {1,S} {8,D} {14,S} +8 *2 C u1 p0 c0 {7,D} {15,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {5,S} +13 H u0 p0 c0 {6,S} +14 *3 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {8,S} -C10H9-9 +C8H7-4 multiplicity 2 -1 C u0 p0 c0 {2,B} {3,B} {4,S} +1 *3 C u0 p0 c0 {2,B} {3,B} {7,S} 2 C u0 p0 c0 {1,B} {5,B} {12,S} 3 C u0 p0 c0 {1,B} {6,B} {13,S} -4 C u0 p0 c0 {1,S} {8,D} {11,S} -5 C u0 p0 c0 {2,B} {7,B} {14,S} -6 C u0 p0 c0 {3,B} {7,B} {15,S} -7 C u0 p0 c0 {5,B} {6,B} {16,S} -8 C u0 p0 c0 {4,D} {9,S} {17,S} -9 *1 C u0 p0 c0 {8,S} {10,D} {18,S} -10 *2 C u1 p0 c0 {9,D} {19,S} +4 C u0 p0 c0 {5,B} {6,B} {11,S} +5 C u0 p0 c0 {2,B} {4,B} {9,S} +6 C u0 p0 c0 {3,B} {4,B} {10,S} +7 *1 C u0 p0 c0 {1,S} {8,D} {14,S} +8 *2 C u1 p0 c0 {7,D} {15,S} +9 H u0 p0 c0 {5,S} +10 H u0 p0 c0 {6,S} 11 H u0 p0 c0 {4,S} 12 H u0 p0 c0 {2,S} 13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {6,S} -16 H u0 p0 c0 {7,S} -17 H u0 p0 c0 {8,S} -18 *3 H u0 p0 c0 {9,S} -19 H u0 p0 c0 {10,S} +14 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {8,S} -C10H9-8 +C9H9-19 multiplicity 2 -1 *3 C u0 p0 c0 {2,B} {3,B} {7,S} -2 C u0 p0 c0 {1,B} {5,B} {14,S} -3 C u0 p0 c0 {1,B} {6,B} {15,S} -4 C u0 p0 c0 {5,B} {6,B} {13,S} -5 C u0 p0 c0 {2,B} {4,B} {11,S} -6 C u0 p0 c0 {3,B} {4,B} {12,S} -7 *1 C u0 p0 c0 {1,S} {10,D} {17,S} -8 C u0 p0 c0 {9,D} {10,S} {16,S} -9 C u0 p0 c0 {8,D} {18,S} {19,S} -10 *2 C u1 p0 c0 {7,D} {8,S} -11 H u0 p0 c0 {5,S} -12 H u0 p0 c0 {6,S} -13 H u0 p0 c0 {4,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {8,S} -17 H u0 p0 c0 {7,S} +1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {10,S} +2 *3 C u0 p0 c0 {1,S} {8,S} {11,S} {12,S} +3 *2 C u1 p0 c0 {1,S} {5,S} {13,S} +4 C u0 p0 c0 {1,S} {6,D} {14,S} +5 C u0 p0 c0 {3,S} {7,D} {15,S} +6 C u0 p0 c0 {4,D} {7,S} {17,S} +7 C u0 p0 c0 {5,D} {6,S} {16,S} +8 C u0 p0 c0 {2,S} {9,T} +9 C u0 p0 c0 {8,T} {18,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {7,S} +17 H u0 p0 c0 {6,S} 18 H u0 p0 c0 {9,S} -19 H u0 p0 c0 {9,S} C3H3-2 multiplicity 2 @@ -5881,47 +5979,31 @@ multiplicity 2 5 H u0 p0 c0 {1,S} 6 H u0 p0 c0 {3,S} -C6H9-11 +C9H9-20 multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {7,S} -2 C u0 p0 c0 {1,S} {5,S} {8,S} {9,S} -3 *3 C u0 p0 c0 {1,S} {10,S} {11,S} {12,S} -4 *2 C u1 p0 c0 {1,S} {6,S} {14,S} -5 C u0 p0 c0 {2,S} {6,D} {13,S} -6 C u0 p0 c0 {4,S} {5,D} {15,S} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {3,S} -11 H u0 p0 c0 {3,S} +1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {10,S} +2 *2 C u1 p0 c0 {1,S} {5,S} {11,S} +3 C u0 p0 c0 {1,S} {6,D} {12,S} +4 *3 C u0 p0 c0 {1,S} {9,D} {16,S} +5 C u0 p0 c0 {2,S} {7,D} {13,S} +6 C u0 p0 c0 {3,D} {7,S} {15,S} +7 C u0 p0 c0 {5,D} {6,S} {14,S} +8 C u0 p0 c0 {9,D} {17,S} {18,S} +9 C u0 p0 c0 {4,D} {8,D} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {2,S} 12 H u0 p0 c0 {3,S} 13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {6,S} - -C6H9-10 -multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {4,S} {9,S} {10,S} -2 C u0 p0 c0 {1,S} {5,S} {7,S} {8,S} -3 C u0 p0 c0 {4,S} {6,S} {11,S} {12,S} -4 *2 C u1 p0 c0 {1,S} {3,S} {13,S} -5 C u0 p0 c0 {2,S} {6,D} {14,S} -6 C u0 p0 c0 {3,S} {5,D} {15,S} -7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {1,S} -10 *3 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {4,S} -14 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {7,S} 15 H u0 p0 c0 {6,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {8,S} +18 H u0 p0 c0 {8,S} -HO2 -multiplicity 2 -1 O u0 p2 c0 {2,S} {3,S} -2 *3 O u1 p2 c0 {1,S} -3 H u0 p0 c0 {1,S} +SO2 +1 *2 S u0 p1 c0 {2,D} {3,D} +2 *1 O u0 p2 c0 {1,D} +3 O u0 p2 c0 {1,D} HOSO multiplicity 2 @@ -5930,195 +6012,64 @@ multiplicity 2 3 O u0 p2 c0 {1,D} 4 H u0 p0 c0 {2,S} -C7H9-21 -multiplicity 2 -1 C u0 p0 c0 {7,S} {8,S} {9,S} {10,S} -2 *3 C u0 p0 c0 {3,S} {4,S} {5,D} -3 C u0 p0 c0 {2,S} {6,D} {11,S} -4 *1 C u0 p0 c0 {2,S} {7,D} {12,S} -5 C u0 p0 c0 {2,D} {15,S} {16,S} -6 C u0 p0 c0 {3,D} {13,S} {14,S} -7 *2 C u1 p0 c0 {1,S} {4,D} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {6,S} -14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {5,S} - -C7H9-20 -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {8,S} {9,S} -2 *1 C u0 p0 c0 {1,S} {5,S} {10,S} {11,S} -3 C u0 p0 c0 {1,S} {4,S} {6,D} -4 C u0 p0 c0 {3,S} {5,S} {7,D} -5 *2 C u1 p0 c0 {2,S} {4,S} {12,S} -6 C u0 p0 c0 {3,D} {15,S} {16,S} -7 C u0 p0 c0 {4,D} {13,S} {14,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {2,S} -11 *3 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {5,S} -13 H u0 p0 c0 {7,S} -14 H u0 p0 c0 {7,S} -15 H u0 p0 c0 {6,S} -16 H u0 p0 c0 {6,S} - -C7H9-23 -multiplicity 2 -1 *1 C u0 p0 c0 {4,S} {5,S} {8,S} {9,S} -2 C u0 p0 c0 {3,S} {10,S} {11,S} {12,S} -3 C u0 p0 c0 {2,S} {4,D} {6,S} -4 *2 C u0 p0 c0 {1,S} {3,D} {13,S} -5 C u0 p0 c0 {1,S} {7,D} {14,S} -6 C u1 p0 c0 {3,S} {7,S} {15,S} -7 C u0 p0 c0 {5,D} {6,S} {16,S} -8 *3 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {4,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {6,S} -16 H u0 p0 c0 {7,S} +N2 +1 *1 N u0 p1 c0 {2,T} +2 *2 N u0 p1 c0 {1,T} -C7H9-22 +NNH multiplicity 2 -1 *1 C u0 p0 c0 {3,S} {4,S} {8,S} {9,S} -2 C u0 p0 c0 {3,S} {10,S} {11,S} {12,S} -3 *2 C u1 p0 c0 {1,S} {2,S} {5,S} -4 C u0 p0 c0 {1,S} {6,S} {7,D} -5 C u0 p0 c0 {3,S} {6,D} {14,S} -6 C u0 p0 c0 {4,S} {5,D} {13,S} -7 C u0 p0 c0 {4,D} {15,S} {16,S} -8 H u0 p0 c0 {1,S} -9 *3 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {6,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {7,S} +1 *1 N u0 p1 c0 {2,D} {3,S} +2 *2 N u1 p1 c0 {1,D} +3 *3 H u0 p0 c0 {1,S} -C7H9-25 -multiplicity 2 -1 *1 C u0 p0 c0 {4,S} {5,S} {8,S} {9,S} -2 C u0 p0 c0 {3,S} {10,S} {11,S} {12,S} -3 C u0 p0 c0 {2,S} {6,D} {7,S} -4 *2 C u1 p0 c0 {1,S} {6,S} {13,S} -5 C u0 p0 c0 {1,S} {7,D} {14,S} -6 C u0 p0 c0 {3,D} {4,S} {15,S} -7 C u0 p0 c0 {3,S} {5,D} {16,S} -8 *3 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {4,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {6,S} -16 H u0 p0 c0 {7,S} +C2H2O-2 +1 O u0 p2 c0 {3,D} +2 *1 C u0 p0 c0 {3,D} {4,S} {5,S} +3 *2 C u0 p0 c0 {1,D} {2,D} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {2,S} -C7H9-24 +C2H3O multiplicity 2 -1 *1 C u0 p0 c0 {3,S} {4,S} {8,S} {9,S} -2 C u0 p0 c0 {3,S} {10,S} {11,S} {12,S} -3 *2 C u0 p0 c0 {1,S} {2,S} {5,D} -4 C u0 p0 c0 {1,S} {6,D} {13,S} -5 C u0 p0 c0 {3,D} {7,S} {15,S} -6 C u0 p0 c0 {4,D} {7,S} {16,S} -7 C u1 p0 c0 {5,S} {6,S} {14,S} -8 *3 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {4,S} -14 H u0 p0 c0 {7,S} -15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {6,S} +1 O u0 p2 c0 {3,D} +2 *1 C u0 p0 c0 {3,S} {4,S} {5,S} {6,S} +3 *2 C u1 p0 c0 {1,D} {2,S} +4 *3 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {2,S} -C7H9-27 +C2H3O-2 multiplicity 2 -1 *1 C u0 p0 c0 {3,S} {4,S} {8,S} {9,S} -2 C u0 p0 c0 {3,S} {10,S} {11,S} {12,S} -3 *2 C u1 p0 c0 {1,S} {2,S} {5,S} -4 C u0 p0 c0 {1,S} {6,D} {13,S} -5 C u0 p0 c0 {3,S} {7,D} {16,S} -6 C u0 p0 c0 {4,D} {7,S} {14,S} -7 C u0 p0 c0 {5,D} {6,S} {15,S} -8 H u0 p0 c0 {1,S} -9 *3 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {4,S} -14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {5,S} +1 O u0 p2 c0 {3,D} +2 *2 C u1 p0 c0 {3,S} {5,S} {6,S} +3 *1 C u0 p0 c0 {1,D} {2,S} {4,S} +4 *3 H u0 p0 c0 {3,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {2,S} -C7H9-26 +C2H3O-3 multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {8,S} -2 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} -3 C u0 p0 c0 {1,S} {5,D} {12,S} -4 *2 C u0 p0 c0 {1,S} {6,D} {13,S} -5 C u0 p0 c0 {3,D} {7,S} {15,S} -6 C u0 p0 c0 {4,D} {7,S} {16,S} -7 C u1 p0 c0 {5,S} {6,S} {14,S} -8 *3 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {4,S} -14 H u0 p0 c0 {7,S} -15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {6,S} +1 *2 O u1 p2 c0 {3,S} +2 C u0 p0 c0 {3,D} {4,S} {5,S} +3 *1 C u0 p0 c0 {1,S} {2,D} {6,S} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {2,S} +6 *3 H u0 p0 c0 {3,S} -C7H9-29 -multiplicity 2 -1 *1 C u0 p0 c0 {4,S} {5,S} {8,S} {9,S} -2 C u0 p0 c0 {3,S} {10,S} {11,S} {12,S} -3 C u0 p0 c0 {2,S} {4,D} {6,S} -4 C u0 p0 c0 {1,S} {3,D} {13,S} -5 *2 C u1 p0 c0 {1,S} {7,S} {14,S} -6 C u0 p0 c0 {3,S} {7,D} {16,S} -7 C u0 p0 c0 {5,S} {6,D} {15,S} -8 H u0 p0 c0 {1,S} -9 *3 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {4,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {6,S} +C2H2O-3 +1 *2 O u0 p2 c0 {3,D} +2 C u0 p0 c0 {3,D} {4,S} {5,S} +3 *1 C u0 p0 c0 {1,D} {2,D} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {2,S} -C7H9-28 -multiplicity 2 -1 *1 C u0 p0 c0 {3,S} {4,S} {8,S} {9,S} -2 C u0 p0 c0 {3,S} {10,S} {11,S} {12,S} -3 C u0 p0 c0 {1,S} {2,S} {5,D} -4 *2 C u1 p0 c0 {1,S} {6,S} {13,S} -5 C u0 p0 c0 {3,D} {7,S} {16,S} -6 C u0 p0 c0 {4,S} {7,D} {14,S} -7 C u0 p0 c0 {5,S} {6,D} {15,S} -8 H u0 p0 c0 {1,S} -9 *3 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {4,S} -14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {5,S} +C4H2 +1 *2 C u0 p0 c0 {2,S} {3,T} +2 C u0 p0 c0 {1,S} {4,T} +3 *1 C u0 p0 c0 {1,T} {5,S} +4 C u0 p0 c0 {2,T} {6,S} +5 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {4,S} C4H3 multiplicity 2 @@ -6130,221 +6081,248 @@ multiplicity 2 6 H u0 p0 c0 {1,S} 7 H u0 p0 c0 {4,S} -C4H2 -1 *2 C u0 p0 c0 {2,S} {3,T} -2 C u0 p0 c0 {1,S} {4,T} -3 *1 C u0 p0 c0 {1,T} {5,S} -4 C u0 p0 c0 {2,T} {6,S} -5 H u0 p0 c0 {3,S} -6 H u0 p0 c0 {4,S} +C4H2-2 +1 *1 C u0 p0 c0 {2,S} {3,T} +2 C u0 p0 c0 {1,S} {4,T} +3 *2 C u0 p0 c0 {1,T} {5,S} +4 C u0 p0 c0 {2,T} {6,S} +5 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {4,S} + +C4H3-2 +multiplicity 2 +1 *1 C u0 p0 c0 {2,S} {3,D} {5,S} +2 C u0 p0 c0 {1,S} {4,T} +3 *2 C u1 p0 c0 {1,D} {6,S} +4 C u0 p0 c0 {2,T} {7,S} +5 *3 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {3,S} +7 H u0 p0 c0 {4,S} + +C4H4-5 +1 *2 C u0 p0 c0 {2,S} {3,S} {4,D} +2 C u0 p0 c0 {1,S} {3,D} {5,S} +3 C u0 p0 c0 {1,S} {2,D} {6,S} +4 *1 C u0 p0 c0 {1,D} {7,S} {8,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {3,S} +7 H u0 p0 c0 {4,S} +8 H u0 p0 c0 {4,S} + +C4H5-3 +multiplicity 2 +1 *1 C u0 p0 c0 {2,S} {5,S} {6,S} {7,S} +2 *2 C u1 p0 c0 {1,S} {3,S} {4,S} +3 C u0 p0 c0 {2,S} {4,D} {8,S} +4 C u0 p0 c0 {2,S} {3,D} {9,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 *3 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {3,S} +9 H u0 p0 c0 {4,S} + +C4H4-6 +1 C u0 p0 c0 {2,S} {3,S} {4,D} +2 *1 C u0 p0 c0 {1,S} {3,D} {5,S} +3 *2 C u0 p0 c0 {1,S} {2,D} {6,S} +4 C u0 p0 c0 {1,D} {7,S} {8,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {3,S} +7 H u0 p0 c0 {4,S} +8 H u0 p0 c0 {4,S} + +C4H5-4 +multiplicity 2 +1 *1 C u0 p0 c0 {2,S} {3,S} {5,S} {6,S} +2 C u0 p0 c0 {1,S} {3,S} {4,D} +3 *2 C u1 p0 c0 {1,S} {2,S} {7,S} +4 C u0 p0 c0 {2,D} {8,S} {9,S} +5 H u0 p0 c0 {1,S} +6 *3 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {3,S} +8 H u0 p0 c0 {4,S} +9 H u0 p0 c0 {4,S} -C4H5 +C4H4-7 +1 C u0 p0 c0 {3,D} {5,S} {6,S} +2 C u0 p0 c0 {4,D} {7,S} {8,S} +3 *1 C u0 p0 c0 {1,D} {4,D} +4 *2 C u0 p0 c0 {2,D} {3,D} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} + +C4H5-5 multiplicity 2 -1 C u0 p0 c0 {2,D} {4,S} {5,S} +1 *1 C u0 p0 c0 {2,D} {4,S} {5,S} 2 C u0 p0 c0 {1,D} {6,S} {7,S} 3 C u0 p0 c0 {4,D} {8,S} {9,S} -4 *3 C u1 p0 c0 {1,S} {3,D} -5 H u0 p0 c0 {1,S} +4 *2 C u1 p0 c0 {1,S} {3,D} +5 *3 H u0 p0 c0 {1,S} 6 H u0 p0 c0 {2,S} 7 H u0 p0 c0 {2,S} 8 H u0 p0 c0 {3,S} 9 H u0 p0 c0 {3,S} -C4H4 -1 *2 C u0 p0 c0 {2,D} {3,S} {5,S} -2 *1 C u0 p0 c0 {1,D} {6,S} {7,S} -3 C u0 p0 c0 {1,S} {4,T} -4 C u0 p0 c0 {3,T} {8,S} +C4H5-6 +multiplicity 2 +1 C u0 p0 c0 {2,D} {4,S} {5,S} +2 C u0 p0 c0 {1,D} {6,S} {7,S} +3 *1 C u0 p0 c0 {4,D} {8,S} {9,S} +4 *2 C u1 p0 c0 {1,S} {3,D} 5 H u0 p0 c0 {1,S} 6 H u0 p0 c0 {2,S} 7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {4,S} +8 H u0 p0 c0 {3,S} +9 *3 H u0 p0 c0 {3,S} -C4H7 +C4H5-7 multiplicity 2 -1 C u0 p0 c0 {2,S} {5,S} {6,S} {7,S} -2 C u0 p0 c0 {1,S} {3,S} {4,D} -3 *3 C u1 p0 c0 {2,S} {10,S} {11,S} -4 C u0 p0 c0 {2,D} {8,S} {9,S} -5 H u0 p0 c0 {1,S} -6 H u0 p0 c0 {1,S} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {4,S} -9 H u0 p0 c0 {4,S} -10 H u0 p0 c0 {3,S} -11 H u0 p0 c0 {3,S} +1 C u0 p0 c0 {2,S} {3,D} {5,S} +2 *1 C u0 p0 c0 {1,S} {4,D} {6,S} +3 C u0 p0 c0 {1,D} {7,S} {8,S} +4 *2 C u1 p0 c0 {2,D} {9,S} +5 H u0 p0 c0 {1,S} +6 *3 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {3,S} +8 H u0 p0 c0 {3,S} +9 H u0 p0 c0 {4,S} -C4H6 -1 *2 C u0 p0 c0 {2,S} {3,D} {5,S} -2 C u0 p0 c0 {1,S} {4,D} {6,S} -3 *1 C u0 p0 c0 {1,D} {7,S} {8,S} -4 C u0 p0 c0 {2,D} {9,S} {10,S} -5 H u0 p0 c0 {1,S} -6 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {3,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {4,S} -10 H u0 p0 c0 {4,S} +C4H5-8 +multiplicity 2 +1 *3 C u0 p0 c0 {2,S} {3,D} {5,S} +2 *1 C u0 p0 c0 {1,S} {4,D} {6,S} +3 C u0 p0 c0 {1,D} {7,S} {8,S} +4 *2 C u1 p0 c0 {2,D} {9,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {3,S} +8 H u0 p0 c0 {3,S} +9 H u0 p0 c0 {4,S} -C7H11-4 +C4H5-9 multiplicity 2 -1 C u0 p0 c0 {5,S} {6,S} {8,S} {9,S} -2 *1 C u0 p0 c0 {5,S} {7,S} {10,S} {11,S} -3 C u0 p0 c0 {5,S} {12,S} {13,S} {14,S} -4 C u0 p0 c0 {6,S} {15,S} {16,S} {17,S} -5 *2 C u1 p0 c0 {1,S} {2,S} {3,S} -6 C u0 p0 c0 {1,S} {4,S} {7,D} -7 C u0 p0 c0 {2,S} {6,D} {18,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {2,S} -11 *3 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {7,S} +1 *1 C u0 p0 c0 {2,S} {5,S} {6,S} {7,S} +2 *2 C u1 p0 c0 {1,S} {3,S} {8,S} +3 C u0 p0 c0 {2,S} {4,T} +4 C u0 p0 c0 {3,T} {9,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 *3 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {4,S} -C7H11-5 +C4H4-8 +1 *1 C u0 p0 c0 {3,D} {5,S} {6,S} +2 C u0 p0 c0 {4,D} {7,S} {8,S} +3 *2 C u0 p0 c0 {1,D} {4,D} +4 C u0 p0 c0 {2,D} {3,D} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} + +C4H5-10 multiplicity 2 -1 *3 C u0 p0 c0 {2,S} {4,S} {8,S} {9,S} -2 *1 C u0 p0 c0 {1,S} {7,S} {10,S} {11,S} -3 C u0 p0 c0 {4,S} {12,S} {13,S} {14,S} -4 C u0 p0 c0 {1,S} {3,S} {5,D} -5 C u0 p0 c0 {4,D} {15,S} {16,S} -6 C u0 p0 c0 {7,D} {17,S} {18,S} -7 *2 C u1 p0 c0 {2,S} {6,D} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {5,S} -17 H u0 p0 c0 {6,S} -18 H u0 p0 c0 {6,S} +1 *1 C u0 p0 c0 {3,S} {5,S} {6,S} {7,S} +2 C u0 p0 c0 {4,D} {8,S} {9,S} +3 *2 C u1 p0 c0 {1,S} {4,D} +4 C u0 p0 c0 {2,D} {3,D} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 *3 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} -C7H9-4 +C4H5-11 multiplicity 2 -1 C u0 p0 c0 {3,S} {4,S} {6,S} {8,S} -2 *1 C u0 p0 c0 {3,S} {5,S} {9,S} {10,S} -3 *2 C u1 p0 c0 {1,S} {2,S} {11,S} -4 C u0 p0 c0 {1,S} {5,D} {12,S} -5 C u0 p0 c0 {2,S} {4,D} {14,S} -6 C u0 p0 c0 {1,S} {7,D} {13,S} -7 C u0 p0 c0 {6,D} {15,S} {16,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {2,S} -10 *3 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {6,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {7,S} +1 *1 C u0 p0 c0 {2,S} {3,S} {5,S} {6,S} +2 *2 C u1 p0 c0 {1,S} {7,S} {8,S} +3 C u0 p0 c0 {1,S} {4,T} +4 C u0 p0 c0 {3,T} {9,S} +5 H u0 p0 c0 {1,S} +6 *3 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {4,S} -C7H9-5 +C3H5O-2 multiplicity 2 -1 *3 C u0 p0 c0 {2,S} {3,S} {4,S} {8,S} -2 *1 C u0 p0 c0 {1,S} {7,S} {9,S} {10,S} -3 C u0 p0 c0 {1,S} {5,D} {11,S} -4 C u0 p0 c0 {1,S} {6,D} {12,S} -5 C u0 p0 c0 {3,D} {6,S} {13,S} -6 C u0 p0 c0 {4,D} {5,S} {14,S} -7 *2 C u1 p0 c0 {2,S} {15,S} {16,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {7,S} +1 O u0 p2 c0 {4,D} +2 *1 C u0 p0 c0 {3,S} {4,S} {5,S} {6,S} +3 *3 C u0 p0 c0 {2,S} {7,S} {8,S} {9,S} +4 *2 C u1 p0 c0 {1,D} {2,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {3,S} +8 H u0 p0 c0 {3,S} +9 H u0 p0 c0 {3,S} -C7H9-2 +C3H5O-3 multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {4,S} {8,S} -2 *1 C u0 p0 c0 {1,S} {7,S} {9,S} {10,S} -3 C u0 p0 c0 {1,S} {5,D} {11,S} -4 C u0 p0 c0 {1,S} {6,D} {12,S} -5 C u0 p0 c0 {3,D} {6,S} {13,S} -6 C u0 p0 c0 {4,D} {5,S} {14,S} -7 *2 C u1 p0 c0 {2,S} {15,S} {16,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {2,S} -10 *3 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {7,S} +1 O u0 p2 c0 {3,D} +2 *3 C u0 p0 c0 {3,S} {5,S} {6,S} {7,S} +3 *1 C u0 p0 c0 {1,D} {2,S} {4,S} +4 *2 C u1 p0 c0 {3,S} {8,S} {9,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {4,S} +9 H u0 p0 c0 {4,S} -C7H9-3 +OH multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {5,S} {8,S} -2 *1 C u0 p0 c0 {1,S} {4,S} {9,S} {10,S} -3 C u0 p0 c0 {1,S} {6,D} {11,S} -4 *2 C u1 p0 c0 {2,S} {6,S} {13,S} -5 C u0 p0 c0 {1,S} {7,D} {12,S} -6 C u0 p0 c0 {3,D} {4,S} {14,S} -7 C u0 p0 c0 {5,D} {15,S} {16,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {2,S} -10 *3 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {5,S} -13 H u0 p0 c0 {4,S} -14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {7,S} +1 *3 O u1 p2 c0 {2,S} +2 H u0 p0 c0 {1,S} -C7H11-2 +C3H5O-4 multiplicity 2 -1 C u0 p0 c0 {2,S} {5,S} {10,S} {11,S} -2 C u0 p0 c0 {1,S} {6,S} {8,S} {9,S} -3 *1 C u0 p0 c0 {5,S} {6,S} {12,S} {13,S} -4 C u0 p0 c0 {5,S} {14,S} {15,S} {16,S} -5 *2 C u1 p0 c0 {1,S} {3,S} {4,S} -6 C u0 p0 c0 {2,S} {3,S} {7,D} -7 C u0 p0 c0 {6,D} {17,S} {18,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {3,S} -13 *3 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {7,S} -18 H u0 p0 c0 {7,S} +1 *3 O u0 p2 c0 {3,S} {9,S} +2 C u0 p0 c0 {4,S} {5,S} {6,S} {7,S} +3 *1 C u0 p0 c0 {1,S} {4,D} {8,S} +4 *2 C u1 p0 c0 {2,S} {3,D} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {3,S} +9 H u0 p0 c0 {1,S} -C7H11-3 +C3H5O-5 multiplicity 2 -1 *3 C u0 p0 c0 {4,S} {5,S} {8,S} {9,S} -2 C u0 p0 c0 {4,S} {10,S} {11,S} {12,S} -3 C u0 p0 c0 {7,S} {13,S} {14,S} {15,S} -4 C u0 p0 c0 {1,S} {2,S} {6,D} -5 *1 C u0 p0 c0 {1,S} {7,D} {16,S} -6 C u0 p0 c0 {4,D} {17,S} {18,S} -7 *2 C u1 p0 c0 {3,S} {5,D} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {5,S} -17 H u0 p0 c0 {6,S} -18 H u0 p0 c0 {6,S} +1 *3 O u0 p2 c0 {3,S} {9,S} +2 C u0 p0 c0 {3,S} {5,S} {6,S} {7,S} +3 *1 C u0 p0 c0 {1,S} {2,S} {4,D} +4 *2 C u1 p0 c0 {3,D} {8,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {4,S} +9 H u0 p0 c0 {1,S} + +C3H5O-6 +multiplicity 2 +1 *3 O u0 p2 c0 {2,S} {9,S} +2 *1 C u0 p0 c0 {1,S} {4,S} {5,S} {6,S} +3 C u0 p0 c0 {4,D} {7,S} {8,S} +4 *2 C u1 p0 c0 {2,S} {3,D} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {3,S} +8 H u0 p0 c0 {3,S} +9 H u0 p0 c0 {1,S} + +C3H5O-7 +multiplicity 2 +1 *3 O u0 p2 c0 {2,S} {9,S} +2 *1 C u0 p0 c0 {1,S} {3,S} {4,D} +3 *2 C u1 p0 c0 {2,S} {5,S} {6,S} +4 C u0 p0 c0 {2,D} {7,S} {8,S} +5 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {3,S} +7 H u0 p0 c0 {4,S} +8 H u0 p0 c0 {4,S} +9 H u0 p0 c0 {1,S} C7H7-4 multiplicity 2 @@ -6363,6 +6341,21 @@ multiplicity 2 13 *3 H u0 p0 c0 {6,S} 14 H u0 p0 c0 {7,S} +C7H6-2 +1 C u0 p0 c0 {2,S} {3,S} {8,S} {9,S} +2 C u0 p0 c0 {1,S} {4,D} {6,S} +3 C u0 p0 c0 {1,S} {5,D} {10,S} +4 C u0 p0 c0 {2,D} {5,S} {11,S} +5 C u0 p0 c0 {3,D} {4,S} {12,S} +6 *1 C u0 p0 c0 {2,S} {7,T} +7 *2 C u0 p0 c0 {6,T} {13,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {5,S} +13 H u0 p0 c0 {7,S} + C7H7-5 multiplicity 2 1 *1 C u0 p0 c0 {2,S} {3,S} {8,S} {9,S} @@ -6380,85 +6373,92 @@ multiplicity 2 13 H u0 p0 c0 {6,S} 14 H u0 p0 c0 {6,S} -C7H9-8 +C7H6-3 +1 C u0 p0 c0 {2,S} {3,S} {7,D} +2 *1 C u0 p0 c0 {1,S} {4,D} {8,S} +3 C u0 p0 c0 {1,S} {5,D} {9,S} +4 *2 C u0 p0 c0 {2,D} {5,S} {10,S} +5 C u0 p0 c0 {3,D} {4,S} {11,S} +6 C u0 p0 c0 {7,D} {12,S} {13,S} +7 C u0 p0 c0 {1,D} {6,D} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {4,S} +11 H u0 p0 c0 {5,S} +12 H u0 p0 c0 {6,S} +13 H u0 p0 c0 {6,S} + +C7H8-14 +1 C u0 p0 c0 {2,S} {8,S} {9,S} {10,S} +2 C u0 p0 c0 {1,S} {3,B} {4,B} +3 *1 C u0 p0 c0 {2,B} {5,B} {11,S} +4 C u0 p0 c0 {2,B} {7,B} {15,S} +5 *2 C u0 p0 c0 {3,B} {6,B} {12,S} +6 C u0 p0 c0 {5,B} {7,B} {13,S} +7 C u0 p0 c0 {4,B} {6,B} {14,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {5,S} +13 H u0 p0 c0 {6,S} +14 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {4,S} + +C7H9-28 multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {8,S} -2 *3 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} -3 *2 C u1 p0 c0 {1,S} {6,S} {13,S} -4 C u0 p0 c0 {1,S} {5,D} {12,S} -5 C u0 p0 c0 {4,D} {7,S} {14,S} -6 C u0 p0 c0 {3,S} {7,D} {15,S} -7 C u0 p0 c0 {5,S} {6,D} {16,S} +1 *1 C u0 p0 c0 {3,S} {4,S} {8,S} {9,S} +2 C u0 p0 c0 {3,S} {10,S} {11,S} {12,S} +3 C u0 p0 c0 {1,S} {2,S} {5,D} +4 *2 C u1 p0 c0 {1,S} {6,S} {13,S} +5 C u0 p0 c0 {3,D} {7,S} {16,S} +6 C u0 p0 c0 {4,S} {7,D} {14,S} +7 C u0 p0 c0 {5,S} {6,D} {15,S} 8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {2,S} +9 *3 H u0 p0 c0 {1,S} 10 H u0 p0 c0 {2,S} 11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {6,S} -16 H u0 p0 c0 {7,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {5,S} -C7H7-3 -multiplicity 2 -1 C u0 p0 c0 {2,B} {3,B} {7,S} -2 C u0 p0 c0 {1,B} {4,B} {8,S} -3 C u0 p0 c0 {1,B} {6,B} {12,S} -4 C u0 p0 c0 {2,B} {5,B} {9,S} -5 C u0 p0 c0 {4,B} {6,B} {10,S} -6 C u0 p0 c0 {3,B} {5,B} {11,S} -7 *3 C u1 p0 c0 {1,S} {13,S} {14,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {4,S} -10 H u0 p0 c0 {5,S} -11 H u0 p0 c0 {6,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {7,S} +C7H8-15 +1 C u0 p0 c0 {2,S} {8,S} {9,S} {10,S} +2 C u0 p0 c0 {1,S} {3,B} {4,B} +3 C u0 p0 c0 {2,B} {5,B} {11,S} +4 C u0 p0 c0 {2,B} {7,B} {15,S} +5 *1 C u0 p0 c0 {3,B} {6,B} {12,S} +6 *2 C u0 p0 c0 {5,B} {7,B} {13,S} +7 C u0 p0 c0 {4,B} {6,B} {14,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {5,S} +13 H u0 p0 c0 {6,S} 14 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {4,S} -butene1_2 -1 C u0 p0 c0 {2,S} {3,S} {5,S} {6,S} -2 C u0 p0 c0 {1,S} {7,S} {8,S} {9,S} -3 *1 C u0 p0 c0 {1,S} {4,D} {10,S} -4 *2 C u0 p0 c0 {3,D} {11,S} {12,S} -5 H u0 p0 c0 {1,S} -6 H u0 p0 c0 {1,S} -7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {3,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {4,S} - -C8H6-2 -1 C u0 p0 c0 {2,B} {3,B} {7,S} -2 C u0 p0 c0 {1,B} {4,B} {9,S} -3 C u0 p0 c0 {1,B} {6,B} {13,S} -4 C u0 p0 c0 {2,B} {5,B} {10,S} -5 C u0 p0 c0 {4,B} {6,B} {11,S} -6 C u0 p0 c0 {3,B} {5,B} {12,S} -7 *2 C u0 p0 c0 {1,S} {8,T} -8 *1 C u0 p0 c0 {7,T} {14,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {4,S} -11 H u0 p0 c0 {5,S} -12 H u0 p0 c0 {6,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {8,S} - -butene1_1 -1 C u0 p0 c0 {2,S} {3,S} {5,S} {6,S} -2 C u0 p0 c0 {1,S} {7,S} {8,S} {9,S} -3 *2 C u0 p0 c0 {1,S} {4,D} {10,S} -4 *1 C u0 p0 c0 {3,D} {11,S} {12,S} -5 H u0 p0 c0 {1,S} -6 H u0 p0 c0 {1,S} -7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {3,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {4,S} +C7H9-29 +multiplicity 2 +1 *1 C u0 p0 c0 {4,S} {5,S} {8,S} {9,S} +2 C u0 p0 c0 {3,S} {10,S} {11,S} {12,S} +3 C u0 p0 c0 {2,S} {4,D} {6,S} +4 C u0 p0 c0 {1,S} {3,D} {13,S} +5 *2 C u1 p0 c0 {1,S} {7,S} {14,S} +6 C u0 p0 c0 {3,S} {7,D} {16,S} +7 C u0 p0 c0 {5,S} {6,D} {15,S} +8 H u0 p0 c0 {1,S} +9 *3 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {6,S} C3H7 multiplicity 2 @@ -83754,6 +83754,36 @@ multiplicity 2 11 H u0 p0 c0 {5,S} 12 H u0 p0 c0 {7,S} +C12H16-1 +1 C u0 p0 c0 {2,S} {3,S} {7,S} {13,S} +2 C u0 p0 c0 {1,S} {4,S} {14,S} {15,S} +3 C u0 p0 c0 {1,S} {6,S} {16,S} {17,S} +4 C u0 p0 c0 {2,S} {5,S} {18,S} {19,S} +5 C u0 p0 c0 {4,S} {8,S} {20,S} {21,S} +6 C u0 p0 c0 {3,S} {22,S} {23,S} {24,S} +7 *1 C u0 p0 c0 {1,S} {8,B} {9,B} +8 *2 C u0 p0 c0 {5,S} {7,B} {10,B} +9 C u0 p0 c0 {7,B} {11,B} {27,S} +10 C u0 p0 c0 {8,B} {12,B} {28,S} +11 C u0 p0 c0 {9,B} {12,B} {25,S} +12 C u0 p0 c0 {10,B} {11,B} {26,S} +13 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {2,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {3,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {4,S} +20 H u0 p0 c0 {5,S} +21 H u0 p0 c0 {5,S} +22 H u0 p0 c0 {6,S} +23 H u0 p0 c0 {6,S} +24 H u0 p0 c0 {6,S} +25 H u0 p0 c0 {11,S} +26 H u0 p0 c0 {12,S} +27 H u0 p0 c0 {9,S} +28 H u0 p0 c0 {10,S} + C12H17-63 multiplicity 2 1 C u0 p0 c0 {2,S} {3,S} {4,S} {13,S} @@ -83786,13 +83816,13 @@ multiplicity 2 28 H u0 p0 c0 {12,S} 29 H u0 p0 c0 {10,S} -C12H16-1 +C12H16-2 1 C u0 p0 c0 {2,S} {3,S} {7,S} {13,S} -2 C u0 p0 c0 {1,S} {4,S} {14,S} {15,S} -3 C u0 p0 c0 {1,S} {6,S} {16,S} {17,S} -4 C u0 p0 c0 {2,S} {5,S} {18,S} {19,S} -5 C u0 p0 c0 {4,S} {8,S} {20,S} {21,S} -6 C u0 p0 c0 {3,S} {22,S} {23,S} {24,S} +2 C u0 p0 c0 {1,S} {4,S} {16,S} {17,S} +3 C u0 p0 c0 {1,S} {5,S} {14,S} {15,S} +4 C u0 p0 c0 {2,S} {6,S} {18,S} {19,S} +5 C u0 p0 c0 {3,S} {8,S} {20,S} {21,S} +6 C u0 p0 c0 {4,S} {22,S} {23,S} {24,S} 7 *1 C u0 p0 c0 {1,S} {8,B} {9,B} 8 *2 C u0 p0 c0 {5,S} {7,B} {10,B} 9 C u0 p0 c0 {7,B} {11,B} {27,S} @@ -83800,10 +83830,10 @@ C12H16-1 11 C u0 p0 c0 {9,B} {12,B} {25,S} 12 C u0 p0 c0 {10,B} {11,B} {26,S} 13 H u0 p0 c0 {1,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {2,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {2,S} +17 H u0 p0 c0 {2,S} 18 H u0 p0 c0 {4,S} 19 H u0 p0 c0 {4,S} 20 H u0 p0 c0 {5,S} @@ -83848,63 +83878,33 @@ multiplicity 2 28 H u0 p0 c0 {12,S} 29 H u0 p0 c0 {10,S} -C12H16-2 -1 C u0 p0 c0 {2,S} {3,S} {7,S} {13,S} -2 C u0 p0 c0 {1,S} {4,S} {16,S} {17,S} -3 C u0 p0 c0 {1,S} {5,S} {14,S} {15,S} -4 C u0 p0 c0 {2,S} {6,S} {18,S} {19,S} -5 C u0 p0 c0 {3,S} {8,S} {20,S} {21,S} -6 C u0 p0 c0 {4,S} {22,S} {23,S} {24,S} -7 *1 C u0 p0 c0 {1,S} {8,B} {9,B} -8 *2 C u0 p0 c0 {5,S} {7,B} {10,B} -9 C u0 p0 c0 {7,B} {11,B} {27,S} -10 C u0 p0 c0 {8,B} {12,B} {28,S} -11 C u0 p0 c0 {9,B} {12,B} {25,S} -12 C u0 p0 c0 {10,B} {11,B} {26,S} +C12H14-3 +1 C u0 p0 c0 {2,S} {13,S} {14,S} {15,S} +2 C u0 p0 c0 {1,S} {3,S} {16,S} {17,S} +3 C u0 p0 c0 {2,S} {4,S} {18,S} {19,S} +4 C u0 p0 c0 {3,S} {5,S} {12,S} {20,S} +5 *1 C u0 p0 c0 {4,S} {6,D} {21,S} +6 *2 C u0 p0 c0 {5,D} {7,S} {22,S} +7 C u0 p0 c0 {6,S} {8,B} {12,B} +8 C u0 p0 c0 {7,B} {9,B} {23,S} +9 C u0 p0 c0 {8,B} {10,B} {24,S} +10 C u0 p0 c0 {9,B} {11,B} {25,S} +11 C u0 p0 c0 {10,B} {12,B} {26,S} +12 C u0 p0 c0 {4,S} {7,B} {11,B} 13 H u0 p0 c0 {1,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {1,S} +15 H u0 p0 c0 {1,S} 16 H u0 p0 c0 {2,S} 17 H u0 p0 c0 {2,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {4,S} -20 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {3,S} +19 H u0 p0 c0 {3,S} +20 H u0 p0 c0 {4,S} 21 H u0 p0 c0 {5,S} 22 H u0 p0 c0 {6,S} -23 H u0 p0 c0 {6,S} -24 H u0 p0 c0 {6,S} -25 H u0 p0 c0 {11,S} -26 H u0 p0 c0 {12,S} -27 H u0 p0 c0 {9,S} -28 H u0 p0 c0 {10,S} - -C12H14-3 -1 C u0 p0 c0 {2,S} {13,S} {14,S} {15,S} -2 C u0 p0 c0 {1,S} {3,S} {16,S} {17,S} -3 C u0 p0 c0 {2,S} {4,S} {18,S} {19,S} -4 C u0 p0 c0 {3,S} {5,S} {12,S} {20,S} -5 *1 C u0 p0 c0 {4,S} {6,D} {21,S} -6 *2 C u0 p0 c0 {5,D} {7,S} {22,S} -7 C u0 p0 c0 {6,S} {8,B} {12,B} -8 C u0 p0 c0 {7,B} {9,B} {23,S} -9 C u0 p0 c0 {8,B} {10,B} {24,S} -10 C u0 p0 c0 {9,B} {11,B} {25,S} -11 C u0 p0 c0 {10,B} {12,B} {26,S} -12 C u0 p0 c0 {4,S} {7,B} {11,B} -13 H u0 p0 c0 {1,S} -14 H u0 p0 c0 {1,S} -15 H u0 p0 c0 {1,S} -16 H u0 p0 c0 {2,S} -17 H u0 p0 c0 {2,S} -18 H u0 p0 c0 {3,S} -19 H u0 p0 c0 {3,S} -20 H u0 p0 c0 {4,S} -21 H u0 p0 c0 {5,S} -22 H u0 p0 c0 {6,S} -23 H u0 p0 c0 {8,S} -24 H u0 p0 c0 {9,S} -25 H u0 p0 c0 {10,S} -26 H u0 p0 c0 {11,S} +23 H u0 p0 c0 {8,S} +24 H u0 p0 c0 {9,S} +25 H u0 p0 c0 {10,S} +26 H u0 p0 c0 {11,S} C12H15-74 multiplicity 2 @@ -83912,8 +83912,8 @@ multiplicity 2 2 C u0 p0 c0 {1,S} {3,S} {17,S} {18,S} 3 C u0 p0 c0 {2,S} {4,S} {19,S} {20,S} 4 C u0 p0 c0 {3,S} {5,S} {13,S} {21,S} -5 *1 C u0 p0 c0 {4,S} {6,S} {22,S} {23,S} -6 *2 C u1 p0 c0 {5,S} {7,S} {8,S} +5 *1 C u0 p0 c0 {4,S} {6,S} {22,S} {23,S} +6 *2 C u1 p0 c0 {5,S} {7,S} {8,S} 7 H u0 p0 c0 {6,S} 8 C u0 p0 c0 {6,S} {9,B} {13,B} 9 C u0 p0 c0 {8,B} {10,B} {24,S} @@ -83937,39 +83937,39 @@ multiplicity 2 27 H u0 p0 c0 {12,S} C12H14-4 -1 C u0 p0 c0 {2,S} {13,S} {14,S} {15,S} -2 C u0 p0 c0 {1,S} {3,S} {16,S} {17,S} -3 *2 C u0 p0 c0 {2,S} {4,D} {12,S} -4 *1 C u0 p0 c0 {3,D} {5,S} {18,S} -5 C u0 p0 c0 {4,S} {6,S} {19,S} {20,S} -6 C u0 p0 c0 {5,S} {7,S} {21,S} {22,S} -7 C u0 p0 c0 {6,S} {8,B} {12,B} -8 C u0 p0 c0 {7,B} {9,B} {23,S} -9 C u0 p0 c0 {8,B} {10,B} {24,S} -10 C u0 p0 c0 {9,B} {11,B} {25,S} -11 C u0 p0 c0 {10,B} {12,B} {26,S} -12 C u0 p0 c0 {3,S} {7,B} {11,B} -13 H u0 p0 c0 {1,S} -14 H u0 p0 c0 {1,S} -15 H u0 p0 c0 {1,S} -16 H u0 p0 c0 {2,S} -17 H u0 p0 c0 {2,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {5,S} -20 H u0 p0 c0 {5,S} -21 H u0 p0 c0 {6,S} -22 H u0 p0 c0 {6,S} -23 H u0 p0 c0 {8,S} -24 H u0 p0 c0 {9,S} -25 H u0 p0 c0 {10,S} -26 H u0 p0 c0 {11,S} +1 C u0 p0 c0 {2,S} {13,S} {14,S} {15,S} +2 C u0 p0 c0 {1,S} {3,S} {16,S} {17,S} +3 *2 C u0 p0 c0 {2,S} {4,D} {12,S} +4 *1 C u0 p0 c0 {3,D} {5,S} {18,S} +5 C u0 p0 c0 {4,S} {6,S} {19,S} {20,S} +6 C u0 p0 c0 {5,S} {7,S} {21,S} {22,S} +7 C u0 p0 c0 {6,S} {8,B} {12,B} +8 C u0 p0 c0 {7,B} {9,B} {23,S} +9 C u0 p0 c0 {8,B} {10,B} {24,S} +10 C u0 p0 c0 {9,B} {11,B} {25,S} +11 C u0 p0 c0 {10,B} {12,B} {26,S} +12 C u0 p0 c0 {3,S} {7,B} {11,B} +13 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {1,S} +15 H u0 p0 c0 {1,S} +16 H u0 p0 c0 {2,S} +17 H u0 p0 c0 {2,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {5,S} +20 H u0 p0 c0 {5,S} +21 H u0 p0 c0 {6,S} +22 H u0 p0 c0 {6,S} +23 H u0 p0 c0 {8,S} +24 H u0 p0 c0 {9,S} +25 H u0 p0 c0 {10,S} +26 H u0 p0 c0 {11,S} C12H15-75 multiplicity 2 1 C u0 p0 c0 {2,S} {13,S} {14,S} {15,S} 2 C u0 p0 c0 {1,S} {3,S} {16,S} {17,S} -3 *2 C u1 p0 c0 {2,S} {4,S} {12,S} -4 *1 C u0 p0 c0 {3,S} {5,S} {18,S} {19,S} +3 *2 C u1 p0 c0 {2,S} {4,S} {12,S} +4 *1 C u0 p0 c0 {3,S} {5,S} {18,S} {19,S} 5 C u0 p0 c0 {4,S} {6,S} {20,S} {21,S} 6 C u0 p0 c0 {5,S} {7,S} {22,S} {23,S} 7 C u0 p0 c0 {6,S} {8,B} {12,B} @@ -84078,84 +84078,6 @@ C12H12-5 23 H u0 p0 c0 {10,S} 24 H u0 p0 c0 {11,S} -C12H12-6 -1 C u0 p0 c0 {2,S} {13,S} {14,S} {15,S} -2 C u0 p0 c0 {1,S} {3,S} {16,S} {17,S} -3 *2 C u0 p0 c0 {2,S} {4,B} {12,B} -4 *1 C u0 p0 c0 {3,B} {5,B} {18,S} -5 C u0 p0 c0 {4,B} {6,B} {19,S} -6 C u0 p0 c0 {5,B} {7,B} {20,S} -7 C u0 p0 c0 {6,B} {8,B} {12,B} -8 C u0 p0 c0 {7,B} {9,B} {21,S} -9 C u0 p0 c0 {8,B} {10,B} {22,S} -10 C u0 p0 c0 {9,B} {11,B} {23,S} -11 C u0 p0 c0 {10,B} {12,B} {24,S} -12 C u0 p0 c0 {3,B} {7,B} {11,B} -13 H u0 p0 c0 {1,S} -14 H u0 p0 c0 {1,S} -15 H u0 p0 c0 {1,S} -16 H u0 p0 c0 {2,S} -17 H u0 p0 c0 {2,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {5,S} -20 H u0 p0 c0 {6,S} -21 H u0 p0 c0 {8,S} -22 H u0 p0 c0 {9,S} -23 H u0 p0 c0 {10,S} -24 H u0 p0 c0 {11,S} - -C12H12-7 -1 C u0 p0 c0 {2,S} {13,S} {14,S} {15,S} -2 C u0 p0 c0 {1,S} {3,S} {16,S} {17,S} -3 C u0 p0 c0 {2,S} {4,B} {12,B} -4 C u0 p0 c0 {3,B} {5,B} {18,S} -5 *2 C u0 p0 c0 {4,B} {6,B} {19,S} -6 *1 C u0 p0 c0 {5,B} {7,B} {20,S} -7 C u0 p0 c0 {6,B} {8,B} {12,B} -8 C u0 p0 c0 {7,B} {9,B} {21,S} -9 C u0 p0 c0 {8,B} {10,B} {22,S} -10 C u0 p0 c0 {9,B} {11,B} {23,S} -11 C u0 p0 c0 {10,B} {12,B} {24,S} -12 C u0 p0 c0 {3,B} {7,B} {11,B} -13 H u0 p0 c0 {1,S} -14 H u0 p0 c0 {1,S} -15 H u0 p0 c0 {1,S} -16 H u0 p0 c0 {2,S} -17 H u0 p0 c0 {2,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {5,S} -20 H u0 p0 c0 {6,S} -21 H u0 p0 c0 {8,S} -22 H u0 p0 c0 {9,S} -23 H u0 p0 c0 {10,S} -24 H u0 p0 c0 {11,S} - -C12H12-8 -1 C u0 p0 c0 {2,S} {13,S} {14,S} {15,S} -2 C u0 p0 c0 {1,S} {3,S} {16,S} {17,S} -3 C u0 p0 c0 {2,S} {4,B} {12,B} -4 C u0 p0 c0 {3,B} {5,B} {18,S} -5 *1 C u0 p0 c0 {4,B} {6,B} {19,S} -6 *2 C u0 p0 c0 {5,B} {7,B} {20,S} -7 C u0 p0 c0 {6,B} {8,B} {12,B} -8 C u0 p0 c0 {7,B} {9,B} {21,S} -9 C u0 p0 c0 {8,B} {10,B} {22,S} -10 C u0 p0 c0 {9,B} {11,B} {23,S} -11 C u0 p0 c0 {10,B} {12,B} {24,S} -12 C u0 p0 c0 {3,B} {7,B} {11,B} -13 H u0 p0 c0 {1,S} -14 H u0 p0 c0 {1,S} -15 H u0 p0 c0 {1,S} -16 H u0 p0 c0 {2,S} -17 H u0 p0 c0 {2,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {5,S} -20 H u0 p0 c0 {6,S} -21 H u0 p0 c0 {8,S} -22 H u0 p0 c0 {9,S} -23 H u0 p0 c0 {10,S} -24 H u0 p0 c0 {11,S} - C12H13-53 multiplicity 2 1 C u0 p0 c0 {2,S} {14,S} {15,S} {16,S} @@ -84184,6 +84106,32 @@ multiplicity 2 24 H u0 p0 c0 {11,S} 25 H u0 p0 c0 {12,S} +C12H12-6 +1 C u0 p0 c0 {2,S} {13,S} {14,S} {15,S} +2 C u0 p0 c0 {1,S} {3,S} {16,S} {17,S} +3 *2 C u0 p0 c0 {2,S} {4,B} {12,B} +4 *1 C u0 p0 c0 {3,B} {5,B} {18,S} +5 C u0 p0 c0 {4,B} {6,B} {19,S} +6 C u0 p0 c0 {5,B} {7,B} {20,S} +7 C u0 p0 c0 {6,B} {8,B} {12,B} +8 C u0 p0 c0 {7,B} {9,B} {21,S} +9 C u0 p0 c0 {8,B} {10,B} {22,S} +10 C u0 p0 c0 {9,B} {11,B} {23,S} +11 C u0 p0 c0 {10,B} {12,B} {24,S} +12 C u0 p0 c0 {3,B} {7,B} {11,B} +13 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {1,S} +15 H u0 p0 c0 {1,S} +16 H u0 p0 c0 {2,S} +17 H u0 p0 c0 {2,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {5,S} +20 H u0 p0 c0 {6,S} +21 H u0 p0 c0 {8,S} +22 H u0 p0 c0 {9,S} +23 H u0 p0 c0 {10,S} +24 H u0 p0 c0 {11,S} + C12H13-54 multiplicity 2 1 C u0 p0 c0 {2,S} {13,S} {14,S} {15,S} @@ -84212,6 +84160,32 @@ multiplicity 2 24 H u0 p0 c0 {10,S} 25 H u0 p0 c0 {11,S} +C12H12-7 +1 C u0 p0 c0 {2,S} {13,S} {14,S} {15,S} +2 C u0 p0 c0 {1,S} {3,S} {16,S} {17,S} +3 C u0 p0 c0 {2,S} {4,B} {12,B} +4 C u0 p0 c0 {3,B} {5,B} {18,S} +5 *2 C u0 p0 c0 {4,B} {6,B} {19,S} +6 *1 C u0 p0 c0 {5,B} {7,B} {20,S} +7 C u0 p0 c0 {6,B} {8,B} {12,B} +8 C u0 p0 c0 {7,B} {9,B} {21,S} +9 C u0 p0 c0 {8,B} {10,B} {22,S} +10 C u0 p0 c0 {9,B} {11,B} {23,S} +11 C u0 p0 c0 {10,B} {12,B} {24,S} +12 C u0 p0 c0 {3,B} {7,B} {11,B} +13 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {1,S} +15 H u0 p0 c0 {1,S} +16 H u0 p0 c0 {2,S} +17 H u0 p0 c0 {2,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {5,S} +20 H u0 p0 c0 {6,S} +21 H u0 p0 c0 {8,S} +22 H u0 p0 c0 {9,S} +23 H u0 p0 c0 {10,S} +24 H u0 p0 c0 {11,S} + C12H13-55 multiplicity 2 1 C u0 p0 c0 {2,S} {14,S} {15,S} {16,S} @@ -84240,6 +84214,32 @@ multiplicity 2 24 H u0 p0 c0 {11,S} 25 H u0 p0 c0 {12,S} +C12H12-8 +1 C u0 p0 c0 {2,S} {13,S} {14,S} {15,S} +2 C u0 p0 c0 {1,S} {3,S} {16,S} {17,S} +3 C u0 p0 c0 {2,S} {4,B} {12,B} +4 C u0 p0 c0 {3,B} {5,B} {18,S} +5 *1 C u0 p0 c0 {4,B} {6,B} {19,S} +6 *2 C u0 p0 c0 {5,B} {7,B} {20,S} +7 C u0 p0 c0 {6,B} {8,B} {12,B} +8 C u0 p0 c0 {7,B} {9,B} {21,S} +9 C u0 p0 c0 {8,B} {10,B} {22,S} +10 C u0 p0 c0 {9,B} {11,B} {23,S} +11 C u0 p0 c0 {10,B} {12,B} {24,S} +12 C u0 p0 c0 {3,B} {7,B} {11,B} +13 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {1,S} +15 H u0 p0 c0 {1,S} +16 H u0 p0 c0 {2,S} +17 H u0 p0 c0 {2,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {5,S} +20 H u0 p0 c0 {6,S} +21 H u0 p0 c0 {8,S} +22 H u0 p0 c0 {9,S} +23 H u0 p0 c0 {10,S} +24 H u0 p0 c0 {11,S} + C12H13-56 multiplicity 2 1 C u0 p0 c0 {2,S} {14,S} {15,S} {16,S} @@ -84370,236 +84370,236 @@ multiplicity 2 C14H15-40 multiplicity 2 -1 C u0 p0 c0 {2,S} {16,S} {17,S} {18,S} -2 C u0 p0 c0 {1,S} {3,S} {8,D} -3 *2 C u1 p0 c0 {2,S} {4,S} {5,S} -4 H u0 p0 c0 {3,S} -5 *1 C u0 p0 c0 {3,S} {6,S} {9,S} {19,S} -6 C u0 p0 c0 {5,S} {7,D} {20,S} -7 C u0 p0 c0 {6,D} {8,S} {21,S} -8 C u0 p0 c0 {2,D} {7,S} {22,S} -9 *3 C u0 p0 c0 {5,S} {10,S} {23,S} {24,S} -10 C u0 p0 c0 {9,S} {11,D} {15,S} -11 C u0 p0 c0 {10,D} {12,S} {25,S} -12 C u0 p0 c0 {11,S} {13,D} {26,S} -13 C u0 p0 c0 {12,D} {14,S} {27,S} -14 C u0 p0 c0 {13,S} {15,D} {28,S} -15 C u0 p0 c0 {10,S} {14,D} {29,S} -16 H u0 p0 c0 {1,S} -17 H u0 p0 c0 {1,S} -18 H u0 p0 c0 {1,S} -19 H u0 p0 c0 {5,S} -20 H u0 p0 c0 {6,S} -21 H u0 p0 c0 {7,S} -22 H u0 p0 c0 {8,S} -23 H u0 p0 c0 {9,S} -24 H u0 p0 c0 {9,S} -25 H u0 p0 c0 {11,S} -26 H u0 p0 c0 {12,S} -27 H u0 p0 c0 {13,S} -28 H u0 p0 c0 {14,S} -29 H u0 p0 c0 {15,S} +1 C u0 p0 c0 {2,S} {16,S} {17,S} {18,S} +2 C u0 p0 c0 {1,S} {3,S} {8,D} +3 *2 C u1 p0 c0 {2,S} {4,S} {5,S} +4 H u0 p0 c0 {3,S} +5 *1 C u0 p0 c0 {3,S} {6,S} {9,S} {19,S} +6 C u0 p0 c0 {5,S} {7,D} {20,S} +7 C u0 p0 c0 {6,D} {8,S} {21,S} +8 C u0 p0 c0 {2,D} {7,S} {22,S} +9 *3 C u0 p0 c0 {5,S} {10,S} {23,S} {24,S} +10 C u0 p0 c0 {9,S} {11,D} {15,S} +11 C u0 p0 c0 {10,D} {12,S} {25,S} +12 C u0 p0 c0 {11,S} {13,D} {26,S} +13 C u0 p0 c0 {12,D} {14,S} {27,S} +14 C u0 p0 c0 {13,S} {15,D} {28,S} +15 C u0 p0 c0 {10,S} {14,D} {29,S} +16 H u0 p0 c0 {1,S} +17 H u0 p0 c0 {1,S} +18 H u0 p0 c0 {1,S} +19 H u0 p0 c0 {5,S} +20 H u0 p0 c0 {6,S} +21 H u0 p0 c0 {7,S} +22 H u0 p0 c0 {8,S} +23 H u0 p0 c0 {9,S} +24 H u0 p0 c0 {9,S} +25 H u0 p0 c0 {11,S} +26 H u0 p0 c0 {12,S} +27 H u0 p0 c0 {13,S} +28 H u0 p0 c0 {14,S} +29 H u0 p0 c0 {15,S} C14H15-41 multiplicity 2 -1 C u0 p0 c0 {2,S} {16,S} {17,S} {18,S} -2 C u0 p0 c0 {1,S} {3,D} {8,S} -3 C u0 p0 c0 {2,D} {4,S} {19,S} -4 C u0 p0 c0 {3,S} {5,D} {20,S} -5 C u0 p0 c0 {4,D} {6,S} {21,S} -6 *2 C u1 p0 c0 {5,S} {7,S} {8,S} -7 H u0 p0 c0 {6,S} -8 *1 C u0 p0 c0 {2,S} {6,S} {9,S} {22,S} -9 *3 C u0 p0 c0 {8,S} {10,S} {23,S} {24,S} -10 C u0 p0 c0 {9,S} {11,D} {15,S} -11 C u0 p0 c0 {10,D} {12,S} {25,S} -12 C u0 p0 c0 {11,S} {13,D} {26,S} -13 C u0 p0 c0 {12,D} {14,S} {27,S} -14 C u0 p0 c0 {13,S} {15,D} {28,S} -15 C u0 p0 c0 {10,S} {14,D} {29,S} -16 H u0 p0 c0 {1,S} -17 H u0 p0 c0 {1,S} -18 H u0 p0 c0 {1,S} -19 H u0 p0 c0 {3,S} -20 H u0 p0 c0 {4,S} -21 H u0 p0 c0 {5,S} -22 H u0 p0 c0 {8,S} -23 H u0 p0 c0 {9,S} -24 H u0 p0 c0 {9,S} -25 H u0 p0 c0 {11,S} -26 H u0 p0 c0 {12,S} -27 H u0 p0 c0 {13,S} -28 H u0 p0 c0 {14,S} -29 H u0 p0 c0 {15,S} +1 C u0 p0 c0 {2,S} {16,S} {17,S} {18,S} +2 C u0 p0 c0 {1,S} {3,D} {8,S} +3 C u0 p0 c0 {2,D} {4,S} {19,S} +4 C u0 p0 c0 {3,S} {5,D} {20,S} +5 C u0 p0 c0 {4,D} {6,S} {21,S} +6 *2 C u1 p0 c0 {5,S} {7,S} {8,S} +7 H u0 p0 c0 {6,S} +8 *1 C u0 p0 c0 {2,S} {6,S} {9,S} {22,S} +9 *3 C u0 p0 c0 {8,S} {10,S} {23,S} {24,S} +10 C u0 p0 c0 {9,S} {11,D} {15,S} +11 C u0 p0 c0 {10,D} {12,S} {25,S} +12 C u0 p0 c0 {11,S} {13,D} {26,S} +13 C u0 p0 c0 {12,D} {14,S} {27,S} +14 C u0 p0 c0 {13,S} {15,D} {28,S} +15 C u0 p0 c0 {10,S} {14,D} {29,S} +16 H u0 p0 c0 {1,S} +17 H u0 p0 c0 {1,S} +18 H u0 p0 c0 {1,S} +19 H u0 p0 c0 {3,S} +20 H u0 p0 c0 {4,S} +21 H u0 p0 c0 {5,S} +22 H u0 p0 c0 {8,S} +23 H u0 p0 c0 {9,S} +24 H u0 p0 c0 {9,S} +25 H u0 p0 c0 {11,S} +26 H u0 p0 c0 {12,S} +27 H u0 p0 c0 {13,S} +28 H u0 p0 c0 {14,S} +29 H u0 p0 c0 {15,S} C14H15-42 multiplicity 2 -1 C u0 p0 c0 {2,S} {16,S} {17,S} {18,S} -2 C u0 p0 c0 {1,S} {3,S} {8,D} -3 C u0 p0 c0 {2,S} {4,D} {19,S} -4 C u0 p0 c0 {3,D} {5,S} {20,S} -5 *1 C u0 p0 c0 {4,S} {6,S} {9,S} {21,S} -6 *2 C u1 p0 c0 {5,S} {7,S} {8,S} -7 H u0 p0 c0 {6,S} -8 C u0 p0 c0 {2,D} {6,S} {22,S} -9 *3 C u0 p0 c0 {5,S} {10,S} {23,S} {24,S} -10 C u0 p0 c0 {9,S} {11,D} {15,S} -11 C u0 p0 c0 {10,D} {12,S} {25,S} -12 C u0 p0 c0 {11,S} {13,D} {26,S} -13 C u0 p0 c0 {12,D} {14,S} {27,S} -14 C u0 p0 c0 {13,S} {15,D} {28,S} -15 C u0 p0 c0 {10,S} {14,D} {29,S} -16 H u0 p0 c0 {1,S} -17 H u0 p0 c0 {1,S} -18 H u0 p0 c0 {1,S} -19 H u0 p0 c0 {3,S} -20 H u0 p0 c0 {4,S} -21 H u0 p0 c0 {5,S} -22 H u0 p0 c0 {8,S} -23 H u0 p0 c0 {9,S} -24 H u0 p0 c0 {9,S} -25 H u0 p0 c0 {11,S} -26 H u0 p0 c0 {12,S} -27 H u0 p0 c0 {13,S} -28 H u0 p0 c0 {14,S} -29 H u0 p0 c0 {15,S} +1 C u0 p0 c0 {2,S} {16,S} {17,S} {18,S} +2 C u0 p0 c0 {1,S} {3,S} {8,D} +3 C u0 p0 c0 {2,S} {4,D} {19,S} +4 C u0 p0 c0 {3,D} {5,S} {20,S} +5 *1 C u0 p0 c0 {4,S} {6,S} {9,S} {21,S} +6 *2 C u1 p0 c0 {5,S} {7,S} {8,S} +7 H u0 p0 c0 {6,S} +8 C u0 p0 c0 {2,D} {6,S} {22,S} +9 *3 C u0 p0 c0 {5,S} {10,S} {23,S} {24,S} +10 C u0 p0 c0 {9,S} {11,D} {15,S} +11 C u0 p0 c0 {10,D} {12,S} {25,S} +12 C u0 p0 c0 {11,S} {13,D} {26,S} +13 C u0 p0 c0 {12,D} {14,S} {27,S} +14 C u0 p0 c0 {13,S} {15,D} {28,S} +15 C u0 p0 c0 {10,S} {14,D} {29,S} +16 H u0 p0 c0 {1,S} +17 H u0 p0 c0 {1,S} +18 H u0 p0 c0 {1,S} +19 H u0 p0 c0 {3,S} +20 H u0 p0 c0 {4,S} +21 H u0 p0 c0 {5,S} +22 H u0 p0 c0 {8,S} +23 H u0 p0 c0 {9,S} +24 H u0 p0 c0 {9,S} +25 H u0 p0 c0 {11,S} +26 H u0 p0 c0 {12,S} +27 H u0 p0 c0 {13,S} +28 H u0 p0 c0 {14,S} +29 H u0 p0 c0 {15,S} C14H15-43 multiplicity 2 -1 C u0 p0 c0 {2,S} {16,S} {17,S} {18,S} -2 *1 C u0 p0 c0 {1,S} {3,S} {8,S} {9,S} -3 *2 C u1 p0 c0 {2,S} {4,S} {5,S} -4 H u0 p0 c0 {3,S} -5 C u0 p0 c0 {3,S} {6,D} {19,S} -6 C u0 p0 c0 {5,D} {7,S} {20,S} -7 C u0 p0 c0 {6,S} {8,D} {21,S} -8 C u0 p0 c0 {2,S} {7,D} {22,S} -9 *3 C u0 p0 c0 {2,S} {10,S} {23,S} {24,S} -10 C u0 p0 c0 {9,S} {11,D} {15,S} -11 C u0 p0 c0 {10,D} {12,S} {25,S} -12 C u0 p0 c0 {11,S} {13,D} {26,S} -13 C u0 p0 c0 {12,D} {14,S} {27,S} -14 C u0 p0 c0 {13,S} {15,D} {28,S} -15 C u0 p0 c0 {10,S} {14,D} {29,S} -16 H u0 p0 c0 {1,S} -17 H u0 p0 c0 {1,S} -18 H u0 p0 c0 {1,S} -19 H u0 p0 c0 {5,S} -20 H u0 p0 c0 {6,S} -21 H u0 p0 c0 {7,S} -22 H u0 p0 c0 {8,S} -23 H u0 p0 c0 {9,S} -24 H u0 p0 c0 {9,S} -25 H u0 p0 c0 {11,S} -26 H u0 p0 c0 {12,S} -27 H u0 p0 c0 {13,S} -28 H u0 p0 c0 {14,S} -29 H u0 p0 c0 {15,S} +1 C u0 p0 c0 {2,S} {16,S} {17,S} {18,S} +2 *1 C u0 p0 c0 {1,S} {3,S} {8,S} {9,S} +3 *2 C u1 p0 c0 {2,S} {4,S} {5,S} +4 H u0 p0 c0 {3,S} +5 C u0 p0 c0 {3,S} {6,D} {19,S} +6 C u0 p0 c0 {5,D} {7,S} {20,S} +7 C u0 p0 c0 {6,S} {8,D} {21,S} +8 C u0 p0 c0 {2,S} {7,D} {22,S} +9 *3 C u0 p0 c0 {2,S} {10,S} {23,S} {24,S} +10 C u0 p0 c0 {9,S} {11,D} {15,S} +11 C u0 p0 c0 {10,D} {12,S} {25,S} +12 C u0 p0 c0 {11,S} {13,D} {26,S} +13 C u0 p0 c0 {12,D} {14,S} {27,S} +14 C u0 p0 c0 {13,S} {15,D} {28,S} +15 C u0 p0 c0 {10,S} {14,D} {29,S} +16 H u0 p0 c0 {1,S} +17 H u0 p0 c0 {1,S} +18 H u0 p0 c0 {1,S} +19 H u0 p0 c0 {5,S} +20 H u0 p0 c0 {6,S} +21 H u0 p0 c0 {7,S} +22 H u0 p0 c0 {8,S} +23 H u0 p0 c0 {9,S} +24 H u0 p0 c0 {9,S} +25 H u0 p0 c0 {11,S} +26 H u0 p0 c0 {12,S} +27 H u0 p0 c0 {13,S} +28 H u0 p0 c0 {14,S} +29 H u0 p0 c0 {15,S} C15H17-45 multiplicity 2 -1 C u0 p0 c0 {2,S} {17,S} {18,S} {19,S} -2 C u0 p0 c0 {1,S} {3,S} {8,D} -3 *2 C u1 p0 c0 {2,S} {4,S} {5,S} -4 H u0 p0 c0 {3,S} -5 *1 C u0 p0 c0 {3,S} {6,S} {9,S} {20,S} -6 C u0 p0 c0 {5,S} {7,D} {21,S} -7 C u0 p0 c0 {6,D} {8,S} {22,S} -8 C u0 p0 c0 {2,D} {7,S} {23,S} -9 *3 C u0 p0 c0 {5,S} {10,S} {11,S} {24,S} -10 C u0 p0 c0 {9,S} {25,S} {26,S} {27,S} -11 C u0 p0 c0 {9,S} {12,D} {16,S} -12 C u0 p0 c0 {11,D} {13,S} {28,S} -13 C u0 p0 c0 {12,S} {14,D} {29,S} -14 C u0 p0 c0 {13,D} {15,S} {30,S} -15 C u0 p0 c0 {14,S} {16,D} {31,S} -16 C u0 p0 c0 {11,S} {15,D} {32,S} -17 H u0 p0 c0 {1,S} -18 H u0 p0 c0 {1,S} -19 H u0 p0 c0 {1,S} -20 H u0 p0 c0 {5,S} -21 H u0 p0 c0 {6,S} -22 H u0 p0 c0 {7,S} -23 H u0 p0 c0 {8,S} -24 H u0 p0 c0 {9,S} -25 H u0 p0 c0 {10,S} -26 H u0 p0 c0 {10,S} -27 H u0 p0 c0 {10,S} -28 H u0 p0 c0 {12,S} -29 H u0 p0 c0 {13,S} -30 H u0 p0 c0 {14,S} -31 H u0 p0 c0 {15,S} -32 H u0 p0 c0 {16,S} +1 C u0 p0 c0 {2,S} {17,S} {18,S} {19,S} +2 C u0 p0 c0 {1,S} {3,S} {8,D} +3 *2 C u1 p0 c0 {2,S} {4,S} {5,S} +4 H u0 p0 c0 {3,S} +5 *1 C u0 p0 c0 {3,S} {6,S} {9,S} {20,S} +6 C u0 p0 c0 {5,S} {7,D} {21,S} +7 C u0 p0 c0 {6,D} {8,S} {22,S} +8 C u0 p0 c0 {2,D} {7,S} {23,S} +9 *3 C u0 p0 c0 {5,S} {10,S} {11,S} {24,S} +10 C u0 p0 c0 {9,S} {25,S} {26,S} {27,S} +11 C u0 p0 c0 {9,S} {12,D} {16,S} +12 C u0 p0 c0 {11,D} {13,S} {28,S} +13 C u0 p0 c0 {12,S} {14,D} {29,S} +14 C u0 p0 c0 {13,D} {15,S} {30,S} +15 C u0 p0 c0 {14,S} {16,D} {31,S} +16 C u0 p0 c0 {11,S} {15,D} {32,S} +17 H u0 p0 c0 {1,S} +18 H u0 p0 c0 {1,S} +19 H u0 p0 c0 {1,S} +20 H u0 p0 c0 {5,S} +21 H u0 p0 c0 {6,S} +22 H u0 p0 c0 {7,S} +23 H u0 p0 c0 {8,S} +24 H u0 p0 c0 {9,S} +25 H u0 p0 c0 {10,S} +26 H u0 p0 c0 {10,S} +27 H u0 p0 c0 {10,S} +28 H u0 p0 c0 {12,S} +29 H u0 p0 c0 {13,S} +30 H u0 p0 c0 {14,S} +31 H u0 p0 c0 {15,S} +32 H u0 p0 c0 {16,S} C15H17-46 multiplicity 2 -1 C u0 p0 c0 {2,S} {17,S} {18,S} {19,S} -2 C u0 p0 c0 {1,S} {3,D} {8,S} -3 C u0 p0 c0 {2,D} {4,S} {20,S} -4 C u0 p0 c0 {3,S} {5,D} {21,S} -5 C u0 p0 c0 {4,D} {6,S} {22,S} -6 *2 C u1 p0 c0 {5,S} {7,S} {8,S} -7 H u0 p0 c0 {6,S} -8 *1 C u0 p0 c0 {2,S} {6,S} {9,S} {23,S} -9 *3 C u0 p0 c0 {8,S} {10,S} {11,S} {24,S} -10 C u0 p0 c0 {9,S} {25,S} {26,S} {27,S} -11 C u0 p0 c0 {9,S} {12,D} {16,S} -12 C u0 p0 c0 {11,D} {13,S} {28,S} -13 C u0 p0 c0 {12,S} {14,D} {29,S} -14 C u0 p0 c0 {13,D} {15,S} {30,S} -15 C u0 p0 c0 {14,S} {16,D} {31,S} -16 C u0 p0 c0 {11,S} {15,D} {32,S} -17 H u0 p0 c0 {1,S} -18 H u0 p0 c0 {1,S} -19 H u0 p0 c0 {1,S} -20 H u0 p0 c0 {3,S} -21 H u0 p0 c0 {4,S} -22 H u0 p0 c0 {5,S} -23 H u0 p0 c0 {8,S} -24 H u0 p0 c0 {9,S} -25 H u0 p0 c0 {10,S} -26 H u0 p0 c0 {10,S} -27 H u0 p0 c0 {10,S} -28 H u0 p0 c0 {12,S} -29 H u0 p0 c0 {13,S} -30 H u0 p0 c0 {14,S} -31 H u0 p0 c0 {15,S} -32 H u0 p0 c0 {16,S} +1 C u0 p0 c0 {2,S} {17,S} {18,S} {19,S} +2 C u0 p0 c0 {1,S} {3,D} {8,S} +3 C u0 p0 c0 {2,D} {4,S} {20,S} +4 C u0 p0 c0 {3,S} {5,D} {21,S} +5 C u0 p0 c0 {4,D} {6,S} {22,S} +6 *2 C u1 p0 c0 {5,S} {7,S} {8,S} +7 H u0 p0 c0 {6,S} +8 *1 C u0 p0 c0 {2,S} {6,S} {9,S} {23,S} +9 *3 C u0 p0 c0 {8,S} {10,S} {11,S} {24,S} +10 C u0 p0 c0 {9,S} {25,S} {26,S} {27,S} +11 C u0 p0 c0 {9,S} {12,D} {16,S} +12 C u0 p0 c0 {11,D} {13,S} {28,S} +13 C u0 p0 c0 {12,S} {14,D} {29,S} +14 C u0 p0 c0 {13,D} {15,S} {30,S} +15 C u0 p0 c0 {14,S} {16,D} {31,S} +16 C u0 p0 c0 {11,S} {15,D} {32,S} +17 H u0 p0 c0 {1,S} +18 H u0 p0 c0 {1,S} +19 H u0 p0 c0 {1,S} +20 H u0 p0 c0 {3,S} +21 H u0 p0 c0 {4,S} +22 H u0 p0 c0 {5,S} +23 H u0 p0 c0 {8,S} +24 H u0 p0 c0 {9,S} +25 H u0 p0 c0 {10,S} +26 H u0 p0 c0 {10,S} +27 H u0 p0 c0 {10,S} +28 H u0 p0 c0 {12,S} +29 H u0 p0 c0 {13,S} +30 H u0 p0 c0 {14,S} +31 H u0 p0 c0 {15,S} +32 H u0 p0 c0 {16,S} C15H17-47 multiplicity 2 -1 C u0 p0 c0 {2,S} {17,S} {18,S} {19,S} -2 C u0 p0 c0 {1,S} {3,S} {8,D} -3 C u0 p0 c0 {2,S} {4,D} {20,S} -4 C u0 p0 c0 {3,D} {5,S} {21,S} -5 *1 C u0 p0 c0 {4,S} {6,S} {9,S} {22,S} -6 *2 C u1 p0 c0 {5,S} {7,S} {8,S} -7 H u0 p0 c0 {6,S} -8 C u0 p0 c0 {2,D} {6,S} {23,S} -9 *3 C u0 p0 c0 {5,S} {10,S} {11,S} {24,S} -10 C u0 p0 c0 {9,S} {25,S} {26,S} {27,S} -11 C u0 p0 c0 {9,S} {12,D} {16,S} -12 C u0 p0 c0 {11,D} {13,S} {28,S} -13 C u0 p0 c0 {12,S} {14,D} {29,S} -14 C u0 p0 c0 {13,D} {15,S} {30,S} -15 C u0 p0 c0 {14,S} {16,D} {31,S} -16 C u0 p0 c0 {11,S} {15,D} {32,S} -17 H u0 p0 c0 {1,S} -18 H u0 p0 c0 {1,S} -19 H u0 p0 c0 {1,S} -20 H u0 p0 c0 {3,S} -21 H u0 p0 c0 {4,S} -22 H u0 p0 c0 {5,S} -23 H u0 p0 c0 {8,S} -24 H u0 p0 c0 {9,S} -25 H u0 p0 c0 {10,S} -26 H u0 p0 c0 {10,S} -27 H u0 p0 c0 {10,S} -28 H u0 p0 c0 {12,S} -29 H u0 p0 c0 {13,S} -30 H u0 p0 c0 {14,S} -31 H u0 p0 c0 {15,S} -32 H u0 p0 c0 {16,S} +1 C u0 p0 c0 {2,S} {17,S} {18,S} {19,S} +2 C u0 p0 c0 {1,S} {3,S} {8,D} +3 C u0 p0 c0 {2,S} {4,D} {20,S} +4 C u0 p0 c0 {3,D} {5,S} {21,S} +5 *1 C u0 p0 c0 {4,S} {6,S} {9,S} {22,S} +6 *2 C u1 p0 c0 {5,S} {7,S} {8,S} +7 H u0 p0 c0 {6,S} +8 C u0 p0 c0 {2,D} {6,S} {23,S} +9 *3 C u0 p0 c0 {5,S} {10,S} {11,S} {24,S} +10 C u0 p0 c0 {9,S} {25,S} {26,S} {27,S} +11 C u0 p0 c0 {9,S} {12,D} {16,S} +12 C u0 p0 c0 {11,D} {13,S} {28,S} +13 C u0 p0 c0 {12,S} {14,D} {29,S} +14 C u0 p0 c0 {13,D} {15,S} {30,S} +15 C u0 p0 c0 {14,S} {16,D} {31,S} +16 C u0 p0 c0 {11,S} {15,D} {32,S} +17 H u0 p0 c0 {1,S} +18 H u0 p0 c0 {1,S} +19 H u0 p0 c0 {1,S} +20 H u0 p0 c0 {3,S} +21 H u0 p0 c0 {4,S} +22 H u0 p0 c0 {5,S} +23 H u0 p0 c0 {8,S} +24 H u0 p0 c0 {9,S} +25 H u0 p0 c0 {10,S} +26 H u0 p0 c0 {10,S} +27 H u0 p0 c0 {10,S} +28 H u0 p0 c0 {12,S} +29 H u0 p0 c0 {13,S} +30 H u0 p0 c0 {14,S} +31 H u0 p0 c0 {15,S} +32 H u0 p0 c0 {16,S} C15H17-48 multiplicity 2 @@ -84637,112 +84637,112 @@ multiplicity 2 32 H u0 p0 c0 {16,S} C8H10-7 -1 C u0 p0 c0 {2,S} {3,S} {9,S} {10,S} -2 C u0 p0 c0 {1,S} {11,S} {12,S} {13,S} -3 *1 C u0 p0 c0 {1,S} {4,B} {5,B} -4 *2 C u0 p0 c0 {3,B} {6,B} {14,S} -5 C u0 p0 c0 {3,B} {8,B} {18,S} -6 C u0 p0 c0 {4,B} {7,B} {15,S} -7 C u0 p0 c0 {6,B} {8,B} {16,S} -8 C u0 p0 c0 {5,B} {7,B} {17,S} -9 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {6,S} -16 H u0 p0 c0 {7,S} -17 H u0 p0 c0 {8,S} -18 H u0 p0 c0 {5,S} +1 C u0 p0 c0 {2,S} {3,S} {9,S} {10,S} +2 C u0 p0 c0 {1,S} {11,S} {12,S} {13,S} +3 *1 C u0 p0 c0 {1,S} {4,B} {5,B} +4 *2 C u0 p0 c0 {3,B} {6,B} {14,S} +5 C u0 p0 c0 {3,B} {8,B} {18,S} +6 C u0 p0 c0 {4,B} {7,B} {15,S} +7 C u0 p0 c0 {6,B} {8,B} {16,S} +8 C u0 p0 c0 {5,B} {7,B} {17,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {6,S} +16 H u0 p0 c0 {7,S} +17 H u0 p0 c0 {8,S} +18 H u0 p0 c0 {5,S} C14H15-44 multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} -2 C u0 p0 c0 {1,S} {3,S} {15,S} {16,S} -3 C u0 p0 c0 {2,S} {17,S} {18,S} {19,S} -4 *3 C u0 p0 c0 {1,S} {7,B} {8,B} -5 *2 C u1 p0 c0 {1,S} {10,S} {20,S} -6 C u0 p0 c0 {1,S} {9,D} {21,S} -7 C u0 p0 c0 {4,B} {12,B} {24,S} -8 C u0 p0 c0 {4,B} {13,B} {25,S} -9 C u0 p0 c0 {6,D} {14,S} {27,S} -10 C u0 p0 c0 {5,S} {14,D} {29,S} -11 C u0 p0 c0 {12,B} {13,B} {22,S} -12 C u0 p0 c0 {7,B} {11,B} {23,S} -13 C u0 p0 c0 {8,B} {11,B} {26,S} -14 C u0 p0 c0 {9,S} {10,D} {28,S} -15 H u0 p0 c0 {2,S} -16 H u0 p0 c0 {2,S} -17 H u0 p0 c0 {3,S} -18 H u0 p0 c0 {3,S} -19 H u0 p0 c0 {3,S} -20 H u0 p0 c0 {5,S} -21 H u0 p0 c0 {6,S} -22 H u0 p0 c0 {11,S} -23 H u0 p0 c0 {12,S} -24 H u0 p0 c0 {7,S} -25 H u0 p0 c0 {8,S} -26 H u0 p0 c0 {13,S} -27 H u0 p0 c0 {9,S} -28 H u0 p0 c0 {14,S} -29 H u0 p0 c0 {10,S} +1 *1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} +2 C u0 p0 c0 {1,S} {3,S} {15,S} {16,S} +3 C u0 p0 c0 {2,S} {17,S} {18,S} {19,S} +4 *3 C u0 p0 c0 {1,S} {7,B} {8,B} +5 *2 C u1 p0 c0 {1,S} {10,S} {20,S} +6 C u0 p0 c0 {1,S} {9,D} {21,S} +7 C u0 p0 c0 {4,B} {12,B} {24,S} +8 C u0 p0 c0 {4,B} {13,B} {25,S} +9 C u0 p0 c0 {6,D} {14,S} {27,S} +10 C u0 p0 c0 {5,S} {14,D} {29,S} +11 C u0 p0 c0 {12,B} {13,B} {22,S} +12 C u0 p0 c0 {7,B} {11,B} {23,S} +13 C u0 p0 c0 {8,B} {11,B} {26,S} +14 C u0 p0 c0 {9,S} {10,D} {28,S} +15 H u0 p0 c0 {2,S} +16 H u0 p0 c0 {2,S} +17 H u0 p0 c0 {3,S} +18 H u0 p0 c0 {3,S} +19 H u0 p0 c0 {3,S} +20 H u0 p0 c0 {5,S} +21 H u0 p0 c0 {6,S} +22 H u0 p0 c0 {11,S} +23 H u0 p0 c0 {12,S} +24 H u0 p0 c0 {7,S} +25 H u0 p0 c0 {8,S} +26 H u0 p0 c0 {13,S} +27 H u0 p0 c0 {9,S} +28 H u0 p0 c0 {14,S} +29 H u0 p0 c0 {10,S} C12H10-3 -1 *1 C u0 p0 c0 {2,S} {3,B} {4,B} -2 C u0 p0 c0 {1,S} {5,B} {6,B} -3 *2 C u0 p0 c0 {1,B} {8,B} {15,S} -4 C u0 p0 c0 {1,B} {9,B} {16,S} -5 C u0 p0 c0 {2,B} {10,B} {18,S} -6 C u0 p0 c0 {2,B} {12,B} {22,S} -7 C u0 p0 c0 {8,B} {9,B} {13,S} -8 C u0 p0 c0 {3,B} {7,B} {14,S} -9 C u0 p0 c0 {4,B} {7,B} {17,S} -10 C u0 p0 c0 {5,B} {11,B} {19,S} -11 C u0 p0 c0 {10,B} {12,B} {20,S} -12 C u0 p0 c0 {6,B} {11,B} {21,S} -13 H u0 p0 c0 {7,S} -14 H u0 p0 c0 {8,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {9,S} -18 H u0 p0 c0 {5,S} -19 H u0 p0 c0 {10,S} -20 H u0 p0 c0 {11,S} -21 H u0 p0 c0 {12,S} -22 H u0 p0 c0 {6,S} +1 *1 C u0 p0 c0 {2,S} {3,B} {4,B} +2 C u0 p0 c0 {1,S} {5,B} {6,B} +3 *2 C u0 p0 c0 {1,B} {8,B} {15,S} +4 C u0 p0 c0 {1,B} {9,B} {16,S} +5 C u0 p0 c0 {2,B} {10,B} {18,S} +6 C u0 p0 c0 {2,B} {12,B} {22,S} +7 C u0 p0 c0 {8,B} {9,B} {13,S} +8 C u0 p0 c0 {3,B} {7,B} {14,S} +9 C u0 p0 c0 {4,B} {7,B} {17,S} +10 C u0 p0 c0 {5,B} {11,B} {19,S} +11 C u0 p0 c0 {10,B} {12,B} {20,S} +12 C u0 p0 c0 {6,B} {11,B} {21,S} +13 H u0 p0 c0 {7,S} +14 H u0 p0 c0 {8,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {9,S} +18 H u0 p0 c0 {5,S} +19 H u0 p0 c0 {10,S} +20 H u0 p0 c0 {11,S} +21 H u0 p0 c0 {12,S} +22 H u0 p0 c0 {6,S} C14H15-55 multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} -2 *3 C u0 p0 c0 {1,S} {3,S} {15,S} {16,S} -3 C u0 p0 c0 {2,S} {17,S} {18,S} {19,S} -4 C u0 p0 c0 {1,S} {7,B} {8,B} -5 *2 C u1 p0 c0 {1,S} {10,S} {20,S} -6 C u0 p0 c0 {1,S} {9,D} {21,S} -7 C u0 p0 c0 {4,B} {12,B} {24,S} -8 C u0 p0 c0 {4,B} {13,B} {25,S} -9 C u0 p0 c0 {6,D} {14,S} {27,S} -10 C u0 p0 c0 {5,S} {14,D} {29,S} -11 C u0 p0 c0 {12,B} {13,B} {22,S} -12 C u0 p0 c0 {7,B} {11,B} {23,S} -13 C u0 p0 c0 {8,B} {11,B} {26,S} -14 C u0 p0 c0 {9,S} {10,D} {28,S} -15 H u0 p0 c0 {2,S} -16 H u0 p0 c0 {2,S} -17 H u0 p0 c0 {3,S} -18 H u0 p0 c0 {3,S} -19 H u0 p0 c0 {3,S} -20 H u0 p0 c0 {5,S} -21 H u0 p0 c0 {6,S} -22 H u0 p0 c0 {11,S} -23 H u0 p0 c0 {12,S} -24 H u0 p0 c0 {7,S} -25 H u0 p0 c0 {8,S} -26 H u0 p0 c0 {13,S} -27 H u0 p0 c0 {9,S} -28 H u0 p0 c0 {14,S} -29 H u0 p0 c0 {10,S} +1 *1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} +2 *3 C u0 p0 c0 {1,S} {3,S} {15,S} {16,S} +3 C u0 p0 c0 {2,S} {17,S} {18,S} {19,S} +4 C u0 p0 c0 {1,S} {7,B} {8,B} +5 *2 C u1 p0 c0 {1,S} {10,S} {20,S} +6 C u0 p0 c0 {1,S} {9,D} {21,S} +7 C u0 p0 c0 {4,B} {12,B} {24,S} +8 C u0 p0 c0 {4,B} {13,B} {25,S} +9 C u0 p0 c0 {6,D} {14,S} {27,S} +10 C u0 p0 c0 {5,S} {14,D} {29,S} +11 C u0 p0 c0 {12,B} {13,B} {22,S} +12 C u0 p0 c0 {7,B} {11,B} {23,S} +13 C u0 p0 c0 {8,B} {11,B} {26,S} +14 C u0 p0 c0 {9,S} {10,D} {28,S} +15 H u0 p0 c0 {2,S} +16 H u0 p0 c0 {2,S} +17 H u0 p0 c0 {3,S} +18 H u0 p0 c0 {3,S} +19 H u0 p0 c0 {3,S} +20 H u0 p0 c0 {5,S} +21 H u0 p0 c0 {6,S} +22 H u0 p0 c0 {11,S} +23 H u0 p0 c0 {12,S} +24 H u0 p0 c0 {7,S} +25 H u0 p0 c0 {8,S} +26 H u0 p0 c0 {13,S} +27 H u0 p0 c0 {9,S} +28 H u0 p0 c0 {14,S} +29 H u0 p0 c0 {10,S} C7H9-72 multiplicity 2 @@ -84947,170 +84947,6 @@ multiplicity 2 38 *3 H u0 p0 c0 {23,S} 39 H u0 p0 c0 {24,S} -C24H14-2 -1 C u0 p0 c0 {3,B} {5,B} {9,B} -2 C u0 p0 c0 {3,B} {8,B} {12,B} -3 C u0 p0 c0 {1,B} {2,B} {18,S} -4 *2 C u0 p0 c0 {5,B} {10,B} {19,B} -5 *1 C u0 p0 c0 {1,B} {4,B} {17,S} -6 C u0 p0 c0 {7,B} {12,B} {15,B} -7 C u0 p0 c0 {6,B} {11,B} {16,B} -8 C u0 p0 c0 {2,B} {11,B} {13,B} -9 C u0 p0 c0 {1,B} {13,B} {14,B} -10 C u0 p0 c0 {4,B} {14,B} {20,B} -11 C u0 p0 c0 {7,B} {8,B} {29,S} -12 C u0 p0 c0 {2,B} {6,B} {30,S} -13 C u0 p0 c0 {8,B} {9,B} {31,S} -14 C u0 p0 c0 {9,B} {10,B} {32,S} -15 C u0 p0 c0 {6,B} {22,B} {27,S} -16 C u0 p0 c0 {7,B} {21,B} {28,S} -17 C u0 p0 c0 {5,S} {18,D} {33,S} -18 C u0 p0 c0 {3,S} {17,D} {34,S} -19 C u0 p0 c0 {4,B} {23,B} {35,S} -20 C u0 p0 c0 {10,B} {24,B} {38,S} -21 C u0 p0 c0 {16,B} {22,B} {25,S} -22 C u0 p0 c0 {15,B} {21,B} {26,S} -23 C u0 p0 c0 {19,B} {24,B} {36,S} -24 C u0 p0 c0 {20,B} {23,B} {37,S} -25 H u0 p0 c0 {21,S} -26 H u0 p0 c0 {22,S} -27 H u0 p0 c0 {15,S} -28 H u0 p0 c0 {16,S} -29 H u0 p0 c0 {11,S} -30 H u0 p0 c0 {12,S} -31 H u0 p0 c0 {13,S} -32 H u0 p0 c0 {14,S} -33 H u0 p0 c0 {17,S} -34 H u0 p0 c0 {18,S} -35 H u0 p0 c0 {19,S} -36 H u0 p0 c0 {23,S} -37 H u0 p0 c0 {24,S} -38 H u0 p0 c0 {20,S} - -C24H15-3 -multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {3,S} {11,S} {25,S} -2 C u0 p0 c0 {1,S} {4,B} {6,B} -3 *2 C u0 p0 c0 {1,S} {7,B} {17,B} -4 C u0 p0 c0 {2,B} {5,B} {16,S} -5 C u0 p0 c0 {4,B} {10,B} {14,B} -6 C u0 p0 c0 {2,B} {12,S} {15,B} -7 C u0 p0 c0 {3,B} {12,S} {20,B} -8 C u0 p0 c0 {9,B} {14,B} {18,B} -9 C u0 p0 c0 {8,B} {13,B} {19,B} -10 C u0 p0 c0 {5,B} {13,B} {15,B} -11 C u0 p0 c0 {1,S} {16,D} {26,S} -12 C u1 p0 c0 {6,S} {7,S} {34,S} -13 C u0 p0 c0 {9,B} {10,B} {31,S} -14 C u0 p0 c0 {5,B} {8,B} {32,S} -15 C u0 p0 c0 {6,B} {10,B} {33,S} -16 C u0 p0 c0 {4,S} {11,D} {35,S} -17 C u0 p0 c0 {3,B} {23,B} {36,S} -18 C u0 p0 c0 {8,B} {22,B} {29,S} -19 C u0 p0 c0 {9,B} {21,B} {30,S} -20 C u0 p0 c0 {7,B} {24,B} {39,S} -21 C u0 p0 c0 {19,B} {22,B} {27,S} -22 C u0 p0 c0 {18,B} {21,B} {28,S} -23 C u0 p0 c0 {17,B} {24,B} {37,S} -24 C u0 p0 c0 {20,B} {23,B} {38,S} -25 *3 H u0 p0 c0 {1,S} -26 H u0 p0 c0 {11,S} -27 H u0 p0 c0 {21,S} -28 H u0 p0 c0 {22,S} -29 H u0 p0 c0 {18,S} -30 H u0 p0 c0 {19,S} -31 H u0 p0 c0 {13,S} -32 H u0 p0 c0 {14,S} -33 H u0 p0 c0 {15,S} -34 H u0 p0 c0 {12,S} -35 H u0 p0 c0 {16,S} -36 H u0 p0 c0 {17,S} -37 H u0 p0 c0 {23,S} -38 H u0 p0 c0 {24,S} -39 H u0 p0 c0 {20,S} - -C24H14-3 -1 C u0 p0 c0 {3,B} {5,B} {9,B} -2 C u0 p0 c0 {3,B} {8,B} {12,B} -3 C u0 p0 c0 {1,B} {2,B} {18,S} -4 C u0 p0 c0 {5,B} {10,B} {19,B} -5 C u0 p0 c0 {1,B} {4,B} {17,S} -6 C u0 p0 c0 {7,B} {12,B} {15,B} -7 C u0 p0 c0 {6,B} {11,B} {16,B} -8 C u0 p0 c0 {2,B} {11,B} {13,B} -9 C u0 p0 c0 {1,B} {13,B} {14,B} -10 C u0 p0 c0 {4,B} {14,B} {20,B} -11 C u0 p0 c0 {7,B} {8,B} {29,S} -12 C u0 p0 c0 {2,B} {6,B} {30,S} -13 C u0 p0 c0 {8,B} {9,B} {31,S} -14 C u0 p0 c0 {9,B} {10,B} {32,S} -15 C u0 p0 c0 {6,B} {22,B} {27,S} -16 C u0 p0 c0 {7,B} {21,B} {28,S} -17 *1 C u0 p0 c0 {5,S} {18,D} {33,S} -18 *2 C u0 p0 c0 {3,S} {17,D} {34,S} -19 C u0 p0 c0 {4,B} {23,B} {35,S} -20 C u0 p0 c0 {10,B} {24,B} {38,S} -21 C u0 p0 c0 {16,B} {22,B} {25,S} -22 C u0 p0 c0 {15,B} {21,B} {26,S} -23 C u0 p0 c0 {19,B} {24,B} {36,S} -24 C u0 p0 c0 {20,B} {23,B} {37,S} -25 H u0 p0 c0 {21,S} -26 H u0 p0 c0 {22,S} -27 H u0 p0 c0 {15,S} -28 H u0 p0 c0 {16,S} -29 H u0 p0 c0 {11,S} -30 H u0 p0 c0 {12,S} -31 H u0 p0 c0 {13,S} -32 H u0 p0 c0 {14,S} -33 H u0 p0 c0 {17,S} -34 H u0 p0 c0 {18,S} -35 H u0 p0 c0 {19,S} -36 H u0 p0 c0 {23,S} -37 H u0 p0 c0 {24,S} -38 H u0 p0 c0 {20,S} - -C24H15-4 -multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {12,S} {25,S} {26,S} -2 C u0 p0 c0 {1,S} {3,B} {5,B} -3 C u0 p0 c0 {2,B} {4,B} {10,B} -4 C u0 p0 c0 {3,B} {6,B} {12,S} -5 C u0 p0 c0 {2,B} {11,B} {19,B} -6 C u0 p0 c0 {4,B} {9,B} {14,B} -7 C u0 p0 c0 {8,B} {14,B} {17,B} -8 C u0 p0 c0 {7,B} {13,B} {18,B} -9 C u0 p0 c0 {6,B} {13,B} {15,B} -10 C u0 p0 c0 {3,B} {15,B} {16,B} -11 C u0 p0 c0 {5,B} {16,B} {20,B} -12 *2 C u1 p0 c0 {1,S} {4,S} {27,S} -13 C u0 p0 c0 {8,B} {9,B} {32,S} -14 C u0 p0 c0 {6,B} {7,B} {33,S} -15 C u0 p0 c0 {9,B} {10,B} {34,S} -16 C u0 p0 c0 {10,B} {11,B} {35,S} -17 C u0 p0 c0 {7,B} {22,B} {30,S} -18 C u0 p0 c0 {8,B} {21,B} {31,S} -19 C u0 p0 c0 {5,B} {23,B} {36,S} -20 C u0 p0 c0 {11,B} {24,B} {39,S} -21 C u0 p0 c0 {18,B} {22,B} {28,S} -22 C u0 p0 c0 {17,B} {21,B} {29,S} -23 C u0 p0 c0 {19,B} {24,B} {37,S} -24 C u0 p0 c0 {20,B} {23,B} {38,S} -25 *3 H u0 p0 c0 {1,S} -26 H u0 p0 c0 {1,S} -27 H u0 p0 c0 {12,S} -28 H u0 p0 c0 {21,S} -29 H u0 p0 c0 {22,S} -30 H u0 p0 c0 {17,S} -31 H u0 p0 c0 {18,S} -32 H u0 p0 c0 {13,S} -33 H u0 p0 c0 {14,S} -34 H u0 p0 c0 {15,S} -35 H u0 p0 c0 {16,S} -36 H u0 p0 c0 {19,S} -37 H u0 p0 c0 {23,S} -38 H u0 p0 c0 {24,S} -39 H u0 p0 c0 {20,S} - C14H9 multiplicity 2 1 C u0 p0 c0 {2,B} {4,B} {5,B} @@ -87189,3 +87025,167 @@ multiplicity 2 24 H u0 p0 c0 {8,S} 25 H u0 p0 c0 {8,S} +C24H14-2 +1 C u0 p0 c0 {3,B} {5,B} {9,B} +2 C u0 p0 c0 {3,B} {8,B} {12,B} +3 C u0 p0 c0 {1,B} {2,B} {18,S} +4 *2 C u0 p0 c0 {5,B} {10,B} {19,B} +5 *1 C u0 p0 c0 {1,B} {4,B} {17,S} +6 C u0 p0 c0 {7,B} {12,B} {15,B} +7 C u0 p0 c0 {6,B} {11,B} {16,B} +8 C u0 p0 c0 {2,B} {11,B} {13,B} +9 C u0 p0 c0 {1,B} {13,B} {14,B} +10 C u0 p0 c0 {4,B} {14,B} {20,B} +11 C u0 p0 c0 {7,B} {8,B} {29,S} +12 C u0 p0 c0 {2,B} {6,B} {30,S} +13 C u0 p0 c0 {8,B} {9,B} {31,S} +14 C u0 p0 c0 {9,B} {10,B} {32,S} +15 C u0 p0 c0 {6,B} {22,B} {27,S} +16 C u0 p0 c0 {7,B} {21,B} {28,S} +17 C u0 p0 c0 {5,S} {18,D} {33,S} +18 C u0 p0 c0 {3,S} {17,D} {34,S} +19 C u0 p0 c0 {4,B} {23,B} {35,S} +20 C u0 p0 c0 {10,B} {24,B} {38,S} +21 C u0 p0 c0 {16,B} {22,B} {25,S} +22 C u0 p0 c0 {15,B} {21,B} {26,S} +23 C u0 p0 c0 {19,B} {24,B} {36,S} +24 C u0 p0 c0 {20,B} {23,B} {37,S} +25 H u0 p0 c0 {21,S} +26 H u0 p0 c0 {22,S} +27 H u0 p0 c0 {15,S} +28 H u0 p0 c0 {16,S} +29 H u0 p0 c0 {11,S} +30 H u0 p0 c0 {12,S} +31 H u0 p0 c0 {13,S} +32 H u0 p0 c0 {14,S} +33 H u0 p0 c0 {17,S} +34 H u0 p0 c0 {18,S} +35 H u0 p0 c0 {19,S} +36 H u0 p0 c0 {23,S} +37 H u0 p0 c0 {24,S} +38 H u0 p0 c0 {20,S} + +C24H15-3 +multiplicity 2 +1 *1 C u0 p0 c0 {2,S} {3,S} {11,S} {25,S} +2 C u0 p0 c0 {1,S} {4,B} {6,B} +3 *2 C u0 p0 c0 {1,S} {7,B} {17,B} +4 C u0 p0 c0 {2,B} {5,B} {16,S} +5 C u0 p0 c0 {4,B} {10,B} {14,B} +6 C u0 p0 c0 {2,B} {12,S} {15,B} +7 C u0 p0 c0 {3,B} {12,S} {20,B} +8 C u0 p0 c0 {9,B} {14,B} {18,B} +9 C u0 p0 c0 {8,B} {13,B} {19,B} +10 C u0 p0 c0 {5,B} {13,B} {15,B} +11 C u0 p0 c0 {1,S} {16,D} {26,S} +12 C u1 p0 c0 {6,S} {7,S} {34,S} +13 C u0 p0 c0 {9,B} {10,B} {31,S} +14 C u0 p0 c0 {5,B} {8,B} {32,S} +15 C u0 p0 c0 {6,B} {10,B} {33,S} +16 C u0 p0 c0 {4,S} {11,D} {35,S} +17 C u0 p0 c0 {3,B} {23,B} {36,S} +18 C u0 p0 c0 {8,B} {22,B} {29,S} +19 C u0 p0 c0 {9,B} {21,B} {30,S} +20 C u0 p0 c0 {7,B} {24,B} {39,S} +21 C u0 p0 c0 {19,B} {22,B} {27,S} +22 C u0 p0 c0 {18,B} {21,B} {28,S} +23 C u0 p0 c0 {17,B} {24,B} {37,S} +24 C u0 p0 c0 {20,B} {23,B} {38,S} +25 *3 H u0 p0 c0 {1,S} +26 H u0 p0 c0 {11,S} +27 H u0 p0 c0 {21,S} +28 H u0 p0 c0 {22,S} +29 H u0 p0 c0 {18,S} +30 H u0 p0 c0 {19,S} +31 H u0 p0 c0 {13,S} +32 H u0 p0 c0 {14,S} +33 H u0 p0 c0 {15,S} +34 H u0 p0 c0 {12,S} +35 H u0 p0 c0 {16,S} +36 H u0 p0 c0 {17,S} +37 H u0 p0 c0 {23,S} +38 H u0 p0 c0 {24,S} +39 H u0 p0 c0 {20,S} + +C24H14-3 +1 C u0 p0 c0 {3,B} {5,B} {9,B} +2 C u0 p0 c0 {3,B} {8,B} {12,B} +3 C u0 p0 c0 {1,B} {2,B} {18,S} +4 C u0 p0 c0 {5,B} {10,B} {19,B} +5 C u0 p0 c0 {1,B} {4,B} {17,S} +6 C u0 p0 c0 {7,B} {12,B} {15,B} +7 C u0 p0 c0 {6,B} {11,B} {16,B} +8 C u0 p0 c0 {2,B} {11,B} {13,B} +9 C u0 p0 c0 {1,B} {13,B} {14,B} +10 C u0 p0 c0 {4,B} {14,B} {20,B} +11 C u0 p0 c0 {7,B} {8,B} {29,S} +12 C u0 p0 c0 {2,B} {6,B} {30,S} +13 C u0 p0 c0 {8,B} {9,B} {31,S} +14 C u0 p0 c0 {9,B} {10,B} {32,S} +15 C u0 p0 c0 {6,B} {22,B} {27,S} +16 C u0 p0 c0 {7,B} {21,B} {28,S} +17 *1 C u0 p0 c0 {5,S} {18,D} {33,S} +18 *2 C u0 p0 c0 {3,S} {17,D} {34,S} +19 C u0 p0 c0 {4,B} {23,B} {35,S} +20 C u0 p0 c0 {10,B} {24,B} {38,S} +21 C u0 p0 c0 {16,B} {22,B} {25,S} +22 C u0 p0 c0 {15,B} {21,B} {26,S} +23 C u0 p0 c0 {19,B} {24,B} {36,S} +24 C u0 p0 c0 {20,B} {23,B} {37,S} +25 H u0 p0 c0 {21,S} +26 H u0 p0 c0 {22,S} +27 H u0 p0 c0 {15,S} +28 H u0 p0 c0 {16,S} +29 H u0 p0 c0 {11,S} +30 H u0 p0 c0 {12,S} +31 H u0 p0 c0 {13,S} +32 H u0 p0 c0 {14,S} +33 H u0 p0 c0 {17,S} +34 H u0 p0 c0 {18,S} +35 H u0 p0 c0 {19,S} +36 H u0 p0 c0 {23,S} +37 H u0 p0 c0 {24,S} +38 H u0 p0 c0 {20,S} + +C24H15-4 +multiplicity 2 +1 *1 C u0 p0 c0 {2,S} {12,S} {25,S} {26,S} +2 C u0 p0 c0 {1,S} {3,B} {5,B} +3 C u0 p0 c0 {2,B} {4,B} {10,B} +4 C u0 p0 c0 {3,B} {6,B} {12,S} +5 C u0 p0 c0 {2,B} {11,B} {19,B} +6 C u0 p0 c0 {4,B} {9,B} {14,B} +7 C u0 p0 c0 {8,B} {14,B} {17,B} +8 C u0 p0 c0 {7,B} {13,B} {18,B} +9 C u0 p0 c0 {6,B} {13,B} {15,B} +10 C u0 p0 c0 {3,B} {15,B} {16,B} +11 C u0 p0 c0 {5,B} {16,B} {20,B} +12 *2 C u1 p0 c0 {1,S} {4,S} {27,S} +13 C u0 p0 c0 {8,B} {9,B} {32,S} +14 C u0 p0 c0 {6,B} {7,B} {33,S} +15 C u0 p0 c0 {9,B} {10,B} {34,S} +16 C u0 p0 c0 {10,B} {11,B} {35,S} +17 C u0 p0 c0 {7,B} {22,B} {30,S} +18 C u0 p0 c0 {8,B} {21,B} {31,S} +19 C u0 p0 c0 {5,B} {23,B} {36,S} +20 C u0 p0 c0 {11,B} {24,B} {39,S} +21 C u0 p0 c0 {18,B} {22,B} {28,S} +22 C u0 p0 c0 {17,B} {21,B} {29,S} +23 C u0 p0 c0 {19,B} {24,B} {37,S} +24 C u0 p0 c0 {20,B} {23,B} {38,S} +25 *3 H u0 p0 c0 {1,S} +26 H u0 p0 c0 {1,S} +27 H u0 p0 c0 {12,S} +28 H u0 p0 c0 {21,S} +29 H u0 p0 c0 {22,S} +30 H u0 p0 c0 {17,S} +31 H u0 p0 c0 {18,S} +32 H u0 p0 c0 {13,S} +33 H u0 p0 c0 {14,S} +34 H u0 p0 c0 {15,S} +35 H u0 p0 c0 {16,S} +36 H u0 p0 c0 {19,S} +37 H u0 p0 c0 {23,S} +38 H u0 p0 c0 {24,S} +39 H u0 p0 c0 {20,S} + diff --git a/input/kinetics/families/R_Addition_MultipleBond/training/reactions.py b/input/kinetics/families/R_Addition_MultipleBond/training/reactions.py index 5bc967a1cb..0e7c33dc6c 100755 --- a/input/kinetics/families/R_Addition_MultipleBond/training/reactions.py +++ b/input/kinetics/families/R_Addition_MultipleBond/training/reactions.py @@ -2,8 +2,8 @@ # encoding: utf-8 name = "R_Addition_MultipleBond/training" -shortDesc = u"Reaction kinetics used to generate rate rules" -longDesc = u""" +shortDesc = "Reaction kinetics used to generate rate rules" +longDesc = """ Put kinetic parameters for specific reactions in this file to use as a training set for generating rate rules to populate this kinetics family. """ @@ -11,14 +11,7 @@ index = 0, label = "C2H2 + C4H9 <=> C6H11", degeneracy = 2.0, - kinetics = Arrhenius( - A = (5.01e+10, 'cm^3/(mol*s)'), - n = 0, - Ea = (5.31, 'kcal/mol'), - T0 = (1, 'K'), - Tmin = (373, 'K'), - Tmax = (493, 'K'), - ), + kinetics = Arrhenius(A=(5.01e+10,'cm^3/(mol*s)'), n=0, Ea=(5.31,'kcal/mol'), T0=(1,'K'), Tmin=(373,'K'), Tmax=(493,'K')), reference = Article( authors = ['Garcia Dominguez, J.A.', 'Trotman-Dickenson, A.F.'], title = 'The reactions of alkyl radicals. Part IX. The addition of methyl, ethyl, isopropyl, and t-butyl radicals to acetylene and the isomerization of alkenyl radicals', @@ -29,7 +22,7 @@ ), rank = 10, longDesc = -u""" +""" Dominguez et al. Data derived from fitting to a complex mechanism. Pressure 0.01-0.32 atm. Excitation : direct photolysis, analysis : GC. C2H2 + Tert-C4H9 --> (CH3)3CCH=CH @@ -43,12 +36,7 @@ index = 1, label = "C2H3O3 <=> C2H2O + HO2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5.3e+16, 's^-1', '*|/', 2.51189), - n = -1, - Ea = (29.5, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(5.3e+16,'s^-1','*|/',2.51189), n=-1, Ea=(29.5,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['J. W. Allen', 'C. F. Goldsmith', 'W. H. Green'], title = 'Automatic Estimation of Pressure-Dependent Rate Coefficients', @@ -59,9 +47,9 @@ ), referenceType = "theory", rank = 10, - shortDesc = u"""CFG VTST calculations at RQCISD(T)/CBS//B3LYP/6-311++G(d,p) level""", + shortDesc = """CFG VTST calculations at RQCISD(T)/CBS//B3LYP/6-311++G(d,p) level""", longDesc = -u""" +""" Quantum chemistry calculations at the RQCISD(T)/CBS//B3LYP/6-311++G(d,p) level using Gaussian 03 and MOLPRO. High-pressure-limit rate coefficient computed using Variflex. @@ -72,17 +60,12 @@ index = 2, label = "CH2O + C3H5O <=> C4H7O2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (54.3214, 'cm^3/(mol*s)', '*|/', 1.1507), - n = 3.00879, - Ea = (6.589, 'kcal/mol', '+|-', 0.024), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(54.3214,'cm^3/(mol*s)','*|/',1.1507), n=3.00879, Ea=(6.589,'kcal/mol','+|-',0.024), T0=(1,'K')), referenceType = "theory", rank = 10, - shortDesc = u"""nyee TST calculations at CBS-QB3 level with hindered rotors level""", + shortDesc = """nyee TST calculations at CBS-QB3 level with hindered rotors level""", longDesc = -u""" +""" Quantum chemistry calculations at the CBS-QB3 level with hindered rotors using Gaussian 03. High-pressure-limit rate coefficient computed using Cantherm. One of the rotors had coupling and did not converge back to the @@ -94,14 +77,7 @@ index = 3, label = "allyl + C2H4 <=> pent1en5yl", degeneracy = 4.0, - kinetics = Arrhenius( - A = (2700, 'cm^3/(mol*s)', '*|/', 2), - n = 2.7, - Ea = (11.3, 'kcal/mol', '+|-', 1), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(2700,'cm^3/(mol*s)','*|/',2), n=2.7, Ea=(11.3,'kcal/mol','+|-',1), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), reference = Article( authors = ['Wang, K.', 'Villano, S.M.', 'Dean, A.M.'], title = 'Reactions of allylic radicals that impact molecular weight growth kinetics', @@ -112,7 +88,7 @@ ), rank = 10, longDesc = -u""" +""" Wang et al. Phys. Chem. Chem. Phys., 2015, 17, 6255--6273 Table 4 CBS-QB3, high-P limit, atomization method for energies, hindered rotors for torsions around single bonds, tunneling with Eckart potentials. @@ -123,14 +99,7 @@ index = 4, label = "allyl + propene_1 <=> hex1en5yl", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1560, 'cm^3/(mol*s)', '*|/', 2), - n = 2.53, - Ea = (11, 'kcal/mol', '+|-', 1), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(1560,'cm^3/(mol*s)','*|/',2), n=2.53, Ea=(11,'kcal/mol','+|-',1), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), reference = Article( authors = ['Wang, K.', 'Villano, S.M.', 'Dean, A.M.'], title = 'Reactions of allylic radicals that impact molecular weight growth kinetics', @@ -141,7 +110,7 @@ ), rank = 10, longDesc = -u""" +""" Wang et al. Phys. Chem. Chem. Phys., 2015, 17, 6255--6273 Table 4 CBS-QB3, high-P limit, atomization method for energies, hindered rotors for torsions around single bonds, tunneling with Eckart potentials. @@ -152,14 +121,7 @@ index = 5, label = "allyl + propene_2 <=> methylpentenyl", degeneracy = 2.0, - kinetics = Arrhenius( - A = (137, 'cm^3/(mol*s)', '*|/', 2), - n = 2.84, - Ea = (12.2, 'kcal/mol', '+|-', 1), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(137,'cm^3/(mol*s)','*|/',2), n=2.84, Ea=(12.2,'kcal/mol','+|-',1), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), reference = Article( authors = ['Wang, K.', 'Villano, S.M.', 'Dean, A.M.'], title = 'Reactions of allylic radicals that impact molecular weight growth kinetics', @@ -170,7 +132,7 @@ ), rank = 10, longDesc = -u""" +""" Wang et al. Phys. Chem. Chem. Phys., 2015, 17, 6255--6273 Table 4 CBS-QB3, high-P limit, atomization method for energies, hindered rotors for torsions around single bonds, tunneling with Eckart potentials. @@ -181,14 +143,7 @@ index = 6, label = "allyl + butene1_1 <=> hept1en5yl", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1310, 'cm^3/(mol*s)', '*|/', 2), - n = 2.62, - Ea = (10.9, 'kcal/mol', '+|-', 1), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(1310,'cm^3/(mol*s)','*|/',2), n=2.62, Ea=(10.9,'kcal/mol','+|-',1), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), reference = Article( authors = ['Wang, K.', 'Villano, S.M.', 'Dean, A.M.'], title = 'Reactions of allylic radicals that impact molecular weight growth kinetics', @@ -199,7 +154,7 @@ ), rank = 10, longDesc = -u""" +""" Wang et al. Phys. Chem. Chem. Phys., 2015, 17, 6255--6273 Table 4 CBS-QB3, high-P limit, atomization method for energies, hindered rotors for torsions around single bonds, tunneling with Eckart potentials. @@ -210,14 +165,7 @@ index = 7, label = "allyl + butene1_2 <=> C7H13", degeneracy = 2.0, - kinetics = Arrhenius( - A = (12.2, 'cm^3/(mol*s)', '*|/', 2), - n = 3.06, - Ea = (11.7, 'kcal/mol', '+|-', 1), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(12.2,'cm^3/(mol*s)','*|/',2), n=3.06, Ea=(11.7,'kcal/mol','+|-',1), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), reference = Article( authors = ['Wang, K.', 'Villano, S.M.', 'Dean, A.M.'], title = 'Reactions of allylic radicals that impact molecular weight growth kinetics', @@ -228,7 +176,7 @@ ), rank = 10, longDesc = -u""" +""" Wang et al. Phys. Chem. Chem. Phys., 2015, 17, 6255--6273 Table 4 CBS-QB3, high-P limit, atomization method for energies, hindered rotors for torsions around single bonds, tunneling with Eckart potentials. @@ -239,14 +187,7 @@ index = 8, label = "allyl + butene2 <=> C7H13_2", degeneracy = 4.0, - kinetics = Arrhenius( - A = (953, 'cm^3/(mol*s)', '*|/', 2), - n = 2.7, - Ea = (11.2, 'kcal/mol', '+|-', 1), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(953,'cm^3/(mol*s)','*|/',2), n=2.7, Ea=(11.2,'kcal/mol','+|-',1), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), reference = Article( authors = ['Wang, K.', 'Villano, S.M.', 'Dean, A.M.'], title = 'Reactions of allylic radicals that impact molecular weight growth kinetics', @@ -257,7 +198,7 @@ ), rank = 10, longDesc = -u""" +""" Wang et al. Phys. Chem. Chem. Phys., 2015, 17, 6255--6273 Table 4 CBS-QB3, high-P limit, atomization method for energies, hindered rotors for torsions around single bonds, tunneling with Eckart potentials. @@ -268,16 +209,11 @@ index = 9, label = "C7H8 + H <=> C7H9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3.36e+08, 'cm^3/(mol*s)'), - n = 1.56, - Ea = (0.6, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(3.36e+08,'cm^3/(mol*s)'), n=1.56, Ea=(0.6,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: vinylCPD_H""", + shortDesc = """Training reaction from kinetics library: vinylCPD_H""", longDesc = -u""" +""" Taken from entry: vinylCPD + H <=> addA """, ) @@ -286,16 +222,11 @@ index = 10, label = "C7H8-2 + H <=> C7H9-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3.01e+08, 'cm^3/(mol*s)'), - n = 1.6, - Ea = (2.4, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(3.01e+08,'cm^3/(mol*s)'), n=1.6, Ea=(2.4,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: vinylCPD_H""", + shortDesc = """Training reaction from kinetics library: vinylCPD_H""", longDesc = -u""" +""" Taken from entry: vinylCPD + H <=> addB """, ) @@ -304,16 +235,11 @@ index = 11, label = "C7H8-3 + H <=> C7H9-3", degeneracy = 2.0, - kinetics = Arrhenius( - A = (3.3e+09, 'cm^3/(mol*s)'), - n = 1.48, - Ea = (0.9, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(3.3e+09,'cm^3/(mol*s)'), n=1.48, Ea=(0.9,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: vinylCPD_H""", + shortDesc = """Training reaction from kinetics library: vinylCPD_H""", longDesc = -u""" +""" Taken from entry: vinylCPD + H <=> addC """, ) @@ -322,16 +248,11 @@ index = 12, label = "C7H8-4 + H <=> C7H9-4", degeneracy = 2.0, - kinetics = Arrhenius( - A = (9.41e+08, 'cm^3/(mol*s)'), - n = 1.57, - Ea = (1.3, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(9.41e+08,'cm^3/(mol*s)'), n=1.57, Ea=(1.3,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: vinylCPD_H""", + shortDesc = """Training reaction from kinetics library: vinylCPD_H""", longDesc = -u""" +""" Taken from entry: vinylCPD + H <=> addD """, ) @@ -340,11 +261,11 @@ index = 13, label = "C7H9-5 <=> C2H4 + C5H5", degeneracy = 1.0, - kinetics = Arrhenius(A=(1.87e+11, 's^-1'), n=0.68, Ea=(13.9, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(1.87e+11,'s^-1'), n=0.68, Ea=(13.9,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: vinylCPD_H""", + shortDesc = """Training reaction from kinetics library: vinylCPD_H""", longDesc = -u""" +""" Taken from entry: addB <=> CPDyl + C2H4 """, ) @@ -353,11 +274,11 @@ index = 14, label = "C7H9-6 <=> C6H6 + CH3", degeneracy = 1.0, - kinetics = Arrhenius(A=(1.06e+11, 's^-1'), n=1.15, Ea=(39.7, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(1.06e+11,'s^-1'), n=1.15, Ea=(39.7,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: vinylCPD_H""", + shortDesc = """Training reaction from kinetics library: vinylCPD_H""", longDesc = -u""" +""" Taken from entry: product7 <=> FULVENE + CH3 """, ) @@ -366,11 +287,11 @@ index = 15, label = "C7H9-7 <=> C5H6 + C2H3", degeneracy = 1.0, - kinetics = Arrhenius(A=(1.5e+12, 's^-1'), n=0.81, Ea=(33.6, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(1.5e+12,'s^-1'), n=0.81, Ea=(33.6,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: vinylCPD_H""", + shortDesc = """Training reaction from kinetics library: vinylCPD_H""", longDesc = -u""" +""" Taken from entry: addD <=> CPD + C2H3 """, ) @@ -379,11 +300,11 @@ index = 16, label = "C7H9-8 <=> C6H6-2 + CH3", degeneracy = 1.0, - kinetics = Arrhenius(A=(2.07e+11, 's^-1'), n=0.83, Ea=(22.8, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(2.07e+11,'s^-1'), n=0.83, Ea=(22.8,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: vinylCPD_H""", + shortDesc = """Training reaction from kinetics library: vinylCPD_H""", longDesc = -u""" +""" Taken from entry: product2 <=> BENZENE + CH3 """, ) @@ -392,11 +313,11 @@ index = 17, label = "C7H9-9 <=> C7H8-5 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(1.03e+09, 's^-1'), n=1.36, Ea=(26.5, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(1.03e+09,'s^-1'), n=1.36, Ea=(26.5,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: vinylCPD_H""", + shortDesc = """Training reaction from kinetics library: vinylCPD_H""", longDesc = -u""" +""" Taken from entry: product2 <=> TOLUENE + H """, ) @@ -405,11 +326,11 @@ index = 18, label = "C7H9-10 <=> C7H8-6 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(1.01e+09, 's^-1'), n=1.23, Ea=(28.3, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(1.01e+09,'s^-1'), n=1.23, Ea=(28.3,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: vinylCPD_H""", + shortDesc = """Training reaction from kinetics library: vinylCPD_H""", longDesc = -u""" +""" Taken from entry: product5 <=> product13 + H """, ) @@ -418,11 +339,11 @@ index = 19, label = "C7H9-11 <=> C7H8-7 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(4.47e+10, 's^-1'), n=1.17, Ea=(41.1, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(4.47e+10,'s^-1'), n=1.17, Ea=(41.1,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: vinylCPD_H""", + shortDesc = """Training reaction from kinetics library: vinylCPD_H""", longDesc = -u""" +""" Taken from entry: product12 <=> product14 + H """, ) @@ -431,11 +352,11 @@ index = 20, label = "C7H9-12 <=> C7H8-8 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(3.58e+10, 's^-1'), n=1.38, Ea=(48.4, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(3.58e+10,'s^-1'), n=1.38, Ea=(48.4,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: vinylCPD_H""", + shortDesc = """Training reaction from kinetics library: vinylCPD_H""", longDesc = -u""" +""" Taken from entry: product4 <=> product15 + H """, ) @@ -444,11 +365,11 @@ index = 21, label = "C7H9-13 <=> C5H6-2 + C2H3", degeneracy = 1.0, - kinetics = Arrhenius(A=(1.89e+12, 's^-1'), n=0.87, Ea=(45, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(1.89e+12,'s^-1'), n=0.87, Ea=(45,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: vinylCPD_H""", + shortDesc = """Training reaction from kinetics library: vinylCPD_H""", longDesc = -u""" +""" Taken from entry: addC <=> CPD + C2H3 """, ) @@ -457,11 +378,11 @@ index = 22, label = "C6H6-3 + CH3 <=> C7H9-14", degeneracy = 1.0, - kinetics = Arrhenius(A=(263, 'cm^3/(mol*s)'), n=2.89, Ea=(6.1, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(263,'cm^3/(mol*s)'), n=2.89, Ea=(6.1,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: vinylCPD_H""", + shortDesc = """Training reaction from kinetics library: vinylCPD_H""", longDesc = -u""" +""" Taken from entry: FULVENE + CH3 <=> product18 """, ) @@ -470,11 +391,11 @@ index = 23, label = "C7H9-15 <=> C7H8-9 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(4.47e+10, 's^-1'), n=1.17, Ea=(41.1, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(4.47e+10,'s^-1'), n=1.17, Ea=(41.1,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: vinylCPD_H""", + shortDesc = """Training reaction from kinetics library: vinylCPD_H""", longDesc = -u""" +""" Taken from entry: product24 <=> product13 + H """, ) @@ -483,11 +404,11 @@ index = 24, label = "C6H6-4 + CH3 <=> C7H9-16", degeneracy = 2.0, - kinetics = Arrhenius(A=(2790, 'cm^3/(mol*s)'), n=2.91, Ea=(1.3, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(2790,'cm^3/(mol*s)'), n=2.91, Ea=(1.3,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: vinylCPD_H""", + shortDesc = """Training reaction from kinetics library: vinylCPD_H""", longDesc = -u""" +""" Taken from entry: FULVENE + CH3 <=> product32 """, ) @@ -496,11 +417,11 @@ index = 25, label = "C6H6-5 + CH3 <=> C7H9-17", degeneracy = 2.0, - kinetics = Arrhenius(A=(2470, 'cm^3/(mol*s)'), n=2.88, Ea=(2, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(2470,'cm^3/(mol*s)'), n=2.88, Ea=(2,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: vinylCPD_H""", + shortDesc = """Training reaction from kinetics library: vinylCPD_H""", longDesc = -u""" +""" Taken from entry: FULVENE + CH3 <=> product31 """, ) @@ -509,11 +430,11 @@ index = 26, label = "C7H9-18 <=> C7H8-10 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(3.03e+10, 's^-1'), n=1.22, Ea=(40.9, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(3.03e+10,'s^-1'), n=1.22, Ea=(40.9,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: vinylCPD_H""", + shortDesc = """Training reaction from kinetics library: vinylCPD_H""", longDesc = -u""" +""" Taken from entry: product37 <=> product13 + H """, ) @@ -522,12 +443,7 @@ index = 27, label = "C5H5 + C2H2 <=> C7H7", degeneracy = 10.0, - kinetics = Arrhenius( - A = (408000, 'cm^3/(mol*s)'), - n = 2.24, - Ea = (10.8, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(408000,'cm^3/(mol*s)'), n=2.24, Ea=(10.8,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['da Silva, G.', 'Cole, J. A.', 'Bozzelli, J. W.'], title = 'Kinetics of the Cyclopentadienyl + Acetylene, Fulvenallene + H, and 1-Ethynylcyclopentadiene + H Reactions', @@ -539,7 +455,7 @@ referenceType = "theory", rank = 4, longDesc = -u""" +""" G3SX//B3LYP/6-31G(2df,p) """, ) @@ -548,7 +464,7 @@ index = 28, label = "C7H7-2 <=> C7H6 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(4.16e+10, 's^-1'), n=1.24, Ea=(65.98, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(4.16e+10,'s^-1'), n=1.24, Ea=(65.98,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['da Silva, G.', 'Cole, J. A.', 'Bozzelli, J. W.'], title = 'Kinetics of the Cyclopentadienyl + Acetylene, Fulvenallene + H, and 1-Ethynylcyclopentadiene + H Reactions', @@ -560,7 +476,7 @@ referenceType = "theory", rank = 4, longDesc = -u""" +""" G3SX//B3LYP/6-31G(2df,p) """, ) @@ -569,7 +485,7 @@ index = 29, label = "C3H4 + allyl <=> C6H9", degeneracy = 2.0, - kinetics = Arrhenius(A=(42, 'cm^3/(mol*s)'), n=3.27, Ea=(11, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(42,'cm^3/(mol*s)'), n=3.27, Ea=(11,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['da Silva, G.', 'Cole, J. A.', 'Bozzelli, J. W.'], title = 'Kinetics of the Cyclopentadienyl + Acetylene, Fulvenallene + H, and 1-Ethynylcyclopentadiene + H Reactions', @@ -581,7 +497,7 @@ referenceType = "theory", rank = 4, longDesc = -u""" +""" G3SX//B3LYP/6-31G(2df,p) """, ) @@ -590,11 +506,11 @@ index = 30, label = "C6H9-2 <=> C6H8 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(7.93e+09, 's^-1'), n=1.27, Ea=(31, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(7.93e+09,'s^-1'), n=1.27, Ea=(31,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: C3""", + shortDesc = """Training reaction from kinetics library: C3""", longDesc = -u""" +""" Taken from entry: prod_2 <=> prod_3 + H """, ) @@ -603,11 +519,11 @@ index = 31, label = "C3H4 + C4H7 <=> C7H11", degeneracy = 2.0, - kinetics = Arrhenius(A=(18.6, 'cm^3/(mol*s)'), n=3, Ea=(9.5, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(18.6,'cm^3/(mol*s)'), n=3, Ea=(9.5,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: C3""", + shortDesc = """Training reaction from kinetics library: C3""", longDesc = -u""" +""" Taken from entry: C3H4a + iC4H7 <=> prod_6 """, ) @@ -616,11 +532,11 @@ index = 32, label = "C7H11-2 <=> C7H10 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(6.37e+08, 's^-1'), n=1.3, Ea=(29.5, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(6.37e+08,'s^-1'), n=1.3, Ea=(29.5,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: C3""", + shortDesc = """Training reaction from kinetics library: C3""", longDesc = -u""" +""" Taken from entry: prod_4 <=> prod_5 + H """, ) @@ -629,16 +545,11 @@ index = 33, label = "C3H4-2 + allyl <=> C6H9-3", degeneracy = 2.0, - kinetics = Arrhenius( - A = (267000, 'cm^3/(mol*s)'), - n = 2.15, - Ea = (12.3, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(267000,'cm^3/(mol*s)'), n=2.15, Ea=(12.3,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: C3""", + shortDesc = """Training reaction from kinetics library: C3""", longDesc = -u""" +""" Taken from entry: C3H4p + aC3H5 <=> prod_7 """, ) @@ -647,11 +558,11 @@ index = 34, label = "C6H9-4 <=> C6H8-2 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(7.99e+10, 's^-1'), n=1, Ea=(32.7, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(7.99e+10,'s^-1'), n=1, Ea=(32.7,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: C3""", + shortDesc = """Training reaction from kinetics library: C3""", longDesc = -u""" +""" Taken from entry: prod_8 <=> prod_9 + H """, ) @@ -660,11 +571,11 @@ index = 35, label = "C3H4-2 + C4H7 <=> C7H11-3", degeneracy = 2.0, - kinetics = Arrhenius(A=(121, 'cm^3/(mol*s)'), n=2.9, Ea=(10.3, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(121,'cm^3/(mol*s)'), n=2.9, Ea=(10.3,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: C3""", + shortDesc = """Training reaction from kinetics library: C3""", longDesc = -u""" +""" Taken from entry: C3H4p + iC4H7 <=> prod_10 """, ) @@ -673,11 +584,11 @@ index = 36, label = "C7H11-4 <=> C7H10-2 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(2.77e+09, 's^-1'), n=1.4, Ea=(32, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(2.77e+09,'s^-1'), n=1.4, Ea=(32,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: C3""", + shortDesc = """Training reaction from kinetics library: C3""", longDesc = -u""" +""" Taken from entry: prod_11 <=> prod_12 + H """, ) @@ -686,11 +597,11 @@ index = 37, label = "C3H4 + C4H5 <=> C7H9-19", degeneracy = 1.0, - kinetics = Arrhenius(A=(128, 'cm^3/(mol*s)'), n=3.05, Ea=(7.4, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(128,'cm^3/(mol*s)'), n=3.05, Ea=(7.4,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: C3""", + shortDesc = """Training reaction from kinetics library: C3""", longDesc = -u""" +""" Taken from entry: C3H4a + BD2YL <=> prod_13 """, ) @@ -699,11 +610,11 @@ index = 38, label = "C7H9-20 <=> C7H8-11 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(4e+10, 's^-1'), n=1.27, Ea=(44.7, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(4e+10,'s^-1'), n=1.27, Ea=(44.7,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: C3""", + shortDesc = """Training reaction from kinetics library: C3""", longDesc = -u""" +""" Taken from entry: prod_14 <=> prod_15 + H """, ) @@ -712,11 +623,11 @@ index = 39, label = "C3H4-2 + C4H5 <=> C7H9-21", degeneracy = 1.0, - kinetics = Arrhenius(A=(1900, 'cm^3/(mol*s)'), n=2.92, Ea=(8.5, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(1900,'cm^3/(mol*s)'), n=2.92, Ea=(8.5,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: C3""", + shortDesc = """Training reaction from kinetics library: C3""", longDesc = -u""" +""" Taken from entry: C3H4p + BD2YL <=> prod_16 """, ) @@ -725,11 +636,11 @@ index = 40, label = "C7H9-22 <=> C7H8-12 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(6.47e+10, 's^-1'), n=1.22, Ea=(45.7, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(6.47e+10,'s^-1'), n=1.22, Ea=(45.7,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: C3""", + shortDesc = """Training reaction from kinetics library: C3""", longDesc = -u""" +""" Taken from entry: prod_17 <=> prod_18 + H """, ) @@ -738,11 +649,11 @@ index = 41, label = "C3H4-3 + allyl <=> C6H9-5", degeneracy = 4.0, - kinetics = Arrhenius(A=(3960, 'cm^3/(mol*s)'), n=2.65, Ea=(11.6, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(3960,'cm^3/(mol*s)'), n=2.65, Ea=(11.6,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: C3""", + shortDesc = """Training reaction from kinetics library: C3""", longDesc = -u""" +""" Taken from entry: aC3H5 + C3H4a <=> prod_19 """, ) @@ -751,11 +662,11 @@ index = 42, label = "C3H4-3 + C4H7 <=> C7H11-5", degeneracy = 4.0, - kinetics = Arrhenius(A=(37, 'cm^3/(mol*s)'), n=2.89, Ea=(9.9, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(37,'cm^3/(mol*s)'), n=2.89, Ea=(9.9,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: C3""", + shortDesc = """Training reaction from kinetics library: C3""", longDesc = -u""" +""" Taken from entry: C3H4a + iC4H7 <=> prod_20 """, ) @@ -764,16 +675,11 @@ index = 43, label = "C2H2 + allyl <=> C5H7", degeneracy = 4.0, - kinetics = Arrhenius( - A = (238000, 'cm^3/(mol*s)'), - n = 2.26, - Ea = (12.3, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(238000,'cm^3/(mol*s)'), n=2.26, Ea=(12.3,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: C3""", + shortDesc = """Training reaction from kinetics library: C3""", longDesc = -u""" +""" Taken from entry: aC3H5 + C2H2 <=> prod_21 """, ) @@ -782,11 +688,11 @@ index = 44, label = "C5H7-2 <=> C5H6 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(4.19e+09, 's^-1'), n=1.37, Ea=(31.9, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(4.19e+09,'s^-1'), n=1.37, Ea=(31.9,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: C3""", + shortDesc = """Training reaction from kinetics library: C3""", longDesc = -u""" +""" Taken from entry: prod_22 <=> CPD + H """, ) @@ -795,16 +701,11 @@ index = 45, label = "C2H2 + C3H3 <=> C5H5-2", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1.27e+06, 'cm^3/(mol*s)'), - n = 2.15, - Ea = (10.4, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(1.27e+06,'cm^3/(mol*s)'), n=2.15, Ea=(10.4,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: C3""", + shortDesc = """Training reaction from kinetics library: C3""", longDesc = -u""" +""" Taken from entry: C3H3 + C2H2 <=> prod_23 """, ) @@ -813,11 +714,11 @@ index = 46, label = "C3H4-2 + C3H3 <=> C6H7", degeneracy = 1.0, - kinetics = Arrhenius(A=(7040, 'cm^3/(mol*s)'), n=2.87, Ea=(9.8, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(7040,'cm^3/(mol*s)'), n=2.87, Ea=(9.8,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: C3""", + shortDesc = """Training reaction from kinetics library: C3""", longDesc = -u""" +""" Taken from entry: C3H3 + C3H4p <=> prod_25 """, ) @@ -826,11 +727,11 @@ index = 47, label = "C3H4-4 + C3H3 <=> C6H7-2", degeneracy = 1.0, - kinetics = Arrhenius(A=(285, 'cm^3/(mol*s)'), n=2.93, Ea=(11.1, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(285,'cm^3/(mol*s)'), n=2.93, Ea=(11.1,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: C3""", + shortDesc = """Training reaction from kinetics library: C3""", longDesc = -u""" +""" Taken from entry: C3H3 + C3H4p <=> prod_27 """, ) @@ -839,11 +740,11 @@ index = 48, label = "C3H4-3 + C3H3 <=> C6H7-3", degeneracy = 2.0, - kinetics = Arrhenius(A=(850, 'cm^3/(mol*s)'), n=2.81, Ea=(8.9, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(850,'cm^3/(mol*s)'), n=2.81, Ea=(8.9,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: C3""", + shortDesc = """Training reaction from kinetics library: C3""", longDesc = -u""" +""" Taken from entry: C3H3 + C3H4a <=> prod_29 """, ) @@ -852,11 +753,11 @@ index = 49, label = "C5H6 + C5H5 <=> C10H11", degeneracy = 10.0, - kinetics = Arrhenius(A=(288, 'cm^3/(mol*s)'), n=2.8, Ea=(8.7, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(288,'cm^3/(mol*s)'), n=2.8, Ea=(8.7,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: C10H11""", + shortDesc = """Training reaction from kinetics library: C10H11""", longDesc = -u""" +""" Taken from entry: CPD + CPDyl <=> adducte """, ) @@ -865,11 +766,11 @@ index = 50, label = "C5H6-2 + C5H5 <=> C10H11-2", degeneracy = 10.0, - kinetics = Arrhenius(A=(288, 'cm^3/(mol*s)'), n=2.74, Ea=(3.3, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(288,'cm^3/(mol*s)'), n=2.74, Ea=(3.3,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: C10H11""", + shortDesc = """Training reaction from kinetics library: C10H11""", longDesc = -u""" +""" Taken from entry: CPD + CPDyl <=> adductd """, ) @@ -878,16 +779,11 @@ index = 51, label = "C10H10 + H <=> C10H11-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9.09e+07, 'cm^3/(mol*s)'), - n = 1.71, - Ea = (2.9, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(9.09e+07,'cm^3/(mol*s)'), n=1.71, Ea=(2.9,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: C10H11""", + shortDesc = """Training reaction from kinetics library: C10H11""", longDesc = -u""" +""" Taken from entry: pdt11 + H <=> pdt10bis """, ) @@ -896,11 +792,11 @@ index = 52, label = "C10H11-4 <=> C6H6-2 + C4H5-2", degeneracy = 1.0, - kinetics = Arrhenius(A=(7.14e+12, 's^-1'), n=0.52, Ea=(22.9, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(7.14e+12,'s^-1'), n=0.52, Ea=(22.9,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: C10H11""", + shortDesc = """Training reaction from kinetics library: C10H11""", longDesc = -u""" +""" Taken from entry: pdt12 <=> benzene + butadieneyl """, ) @@ -909,16 +805,11 @@ index = 53, label = "C10H10-2 + H <=> C10H11-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8.81e+06, 'cm^3/(mol*s)'), - n = 1.95, - Ea = (5.9, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(8.81e+06,'cm^3/(mol*s)'), n=1.95, Ea=(5.9,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: C10H11""", + shortDesc = """Training reaction from kinetics library: C10H11""", longDesc = -u""" +""" Taken from entry: pdt13 + H <=> pdt12 """, ) @@ -927,11 +818,11 @@ index = 54, label = "C9H8 + CH3 <=> C10H11-6", degeneracy = 1.0, - kinetics = Arrhenius(A=(2480, 'cm^3/(mol*s)'), n=2.89, Ea=(-0.9, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(2480,'cm^3/(mol*s)'), n=2.89, Ea=(-0.9,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: C10H11""", + shortDesc = """Training reaction from kinetics library: C10H11""", longDesc = -u""" +""" Taken from entry: pdt22 + CH3 <=> pdt21 """, ) @@ -940,11 +831,11 @@ index = 55, label = "C10H11-7 <=> C10H10-3 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(1.49e+09, 's^-1'), n=1.41, Ea=(38.3, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(1.49e+09,'s^-1'), n=1.41, Ea=(38.3,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: C10H11""", + shortDesc = """Training reaction from kinetics library: C10H11""", longDesc = -u""" +""" Taken from entry: pdt23 <=> pdt30 + H """, ) @@ -953,16 +844,11 @@ index = 56, label = "C10H10-4 + H <=> C10H11-8", degeneracy = 2.0, - kinetics = Arrhenius( - A = (9.09e+07, 'cm^3/(mol*s)'), - n = 1.71, - Ea = (2.9, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(9.09e+07,'cm^3/(mol*s)'), n=1.71, Ea=(2.9,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: C10H11""", + shortDesc = """Training reaction from kinetics library: C10H11""", longDesc = -u""" +""" Taken from entry: pdt26 + H <=> pdt19 """, ) @@ -971,16 +857,11 @@ index = 57, label = "C10H10-5 + H <=> C10H11-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.26e+08, 'cm^3/(mol*s)'), - n = 1.63, - Ea = (1.9, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(1.26e+08,'cm^3/(mol*s)'), n=1.63, Ea=(1.9,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: C10H11""", + shortDesc = """Training reaction from kinetics library: C10H11""", longDesc = -u""" +""" Taken from entry: pdt31 + H <=> pdt8 """, ) @@ -989,11 +870,11 @@ index = 58, label = "C10H11-10 <=> C9H8-2 + CH3", degeneracy = 1.0, - kinetics = Arrhenius(A=(5.72e+10, 's^-1'), n=1.33, Ea=(51.9, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(5.72e+10,'s^-1'), n=1.33, Ea=(51.9,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: C10H11""", + shortDesc = """Training reaction from kinetics library: C10H11""", longDesc = -u""" +""" Taken from entry: pdt32 <=> pdt22 + CH3 """, ) @@ -1002,16 +883,11 @@ index = 59, label = "C10H10-6 + H <=> C10H11-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.93e+08, 'cm^3/(mol*s)'), - n = 1.6, - Ea = (1.4, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(1.93e+08,'cm^3/(mol*s)'), n=1.6, Ea=(1.4,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: C10H11""", + shortDesc = """Training reaction from kinetics library: C10H11""", longDesc = -u""" +""" Taken from entry: pdt31 + H <=> pdt29 """, ) @@ -1020,16 +896,11 @@ index = 60, label = "C10H10-7 + H <=> C10H11-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.93e+08, 'cm^3/(mol*s)'), - n = 1.6, - Ea = (1.4, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(1.93e+08,'cm^3/(mol*s)'), n=1.6, Ea=(1.4,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: C10H11""", + shortDesc = """Training reaction from kinetics library: C10H11""", longDesc = -u""" +""" Taken from entry: pdt30 + H <=> pdt29 """, ) @@ -1038,16 +909,11 @@ index = 61, label = "C10H10-8 + H <=> C10H11-13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.93e+08, 'cm^3/(mol*s)'), - n = 1.6, - Ea = (1.4, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(1.93e+08,'cm^3/(mol*s)'), n=1.6, Ea=(1.4,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: C10H11""", + shortDesc = """Training reaction from kinetics library: C10H11""", longDesc = -u""" +""" Taken from entry: pdt35 + H <=> pdt29 """, ) @@ -1056,16 +922,11 @@ index = 62, label = "C10H10-9 + H <=> C10H11-14", degeneracy = 2.0, - kinetics = Arrhenius( - A = (7.61e+07, 'cm^3/(mol*s)'), - n = 1.71, - Ea = (4.7, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(7.61e+07,'cm^3/(mol*s)'), n=1.71, Ea=(4.7,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: C10H11""", + shortDesc = """Training reaction from kinetics library: C10H11""", longDesc = -u""" +""" Taken from entry: pdt38 + H <=> pdt37 """, ) @@ -1074,12 +935,7 @@ index = 63, label = "C6H6 + H <=> C6H7-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.031e+09, 'cm^3/(mol*s)'), - n = 1.339, - Ea = (-0.477, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(1.031e+09,'cm^3/(mol*s)'), n=1.339, Ea=(-0.477,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['Krasnoukhov, V. S.', 'Porfiriev, D. P.', 'Zavershinskiy, I. P.', 'Azyazov, V. N.', 'Mebel, A. M.'], title = 'Kinetics of the CH3 + C5H5 Reaction: A Theoretical Study', @@ -1091,7 +947,7 @@ referenceType = "theory", rank = 4, longDesc = -u""" +""" CCSD(T)-F12/cc-pVTZ-f12//B2PLYPD3/aug-cc-pVDZ """, ) @@ -1100,12 +956,7 @@ index = 64, label = "C6H6-3 + H <=> C6H7-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.997e+08, 'cm^3/(mol*s)'), - n = 1.629, - Ea = (3.519, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(1.997e+08,'cm^3/(mol*s)'), n=1.629, Ea=(3.519,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['Krasnoukhov, V. S.', 'Porfiriev, D. P.', 'Zavershinskiy, I. P.', 'Azyazov, V. N.', 'Mebel, A. M.'], title = 'Kinetics of the CH3 + C5H5 Reaction: A Theoretical Study', @@ -1117,7 +968,7 @@ referenceType = "theory", rank = 4, longDesc = -u""" +""" CCSD(T)-F12/cc-pVTZ-f12//B2PLYPD3/aug-cc-pVDZ """, ) @@ -1126,12 +977,7 @@ index = 65, label = "C6H6-5 + H <=> C6H7-6", degeneracy = 2.0, - kinetics = Arrhenius( - A = (8.37e+08, 'cm^3/(mol*s)'), - n = 1.488, - Ea = (2.039, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(8.37e+08,'cm^3/(mol*s)'), n=1.488, Ea=(2.039,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['Krasnoukhov, V. S.', 'Porfiriev, D. P.', 'Zavershinskiy, I. P.', 'Azyazov, V. N.', 'Mebel, A. M.'], title = 'Kinetics of the CH3 + C5H5 Reaction: A Theoretical Study', @@ -1143,7 +989,7 @@ referenceType = "theory", rank = 4, longDesc = -u""" +""" CCSD(T)-F12/cc-pVTZ-f12//B2PLYPD3/aug-cc-pVDZ """, ) @@ -1152,12 +998,7 @@ index = 66, label = "C6H6-4 + H <=> C6H7-7", degeneracy = 2.0, - kinetics = Arrhenius( - A = (2.022e+09, 'cm^3/(mol*s)'), - n = 1.369, - Ea = (2.244, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(2.022e+09,'cm^3/(mol*s)'), n=1.369, Ea=(2.244,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['Krasnoukhov, V. S.', 'Porfiriev, D. P.', 'Zavershinskiy, I. P.', 'Azyazov, V. N.', 'Mebel, A. M.'], title = 'Kinetics of the CH3 + C5H5 Reaction: A Theoretical Study', @@ -1169,7 +1010,7 @@ referenceType = "theory", rank = 4, longDesc = -u""" +""" CCSD(T)-F12/cc-pVTZ-f12//B2PLYPD3/aug-cc-pVDZ """, ) @@ -1178,12 +1019,7 @@ index = 67, label = "C6H6-2 + H <=> C6H7-8", degeneracy = 6.0, - kinetics = Arrhenius( - A = (9.221e+08, 'cm^3/(mol*s)'), - n = 1.608, - Ea = (4.599, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(9.221e+08,'cm^3/(mol*s)'), n=1.608, Ea=(4.599,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['Krasnoukhov, V. S.', 'Porfiriev, D. P.', 'Zavershinskiy, I. P.', 'Azyazov, V. N.', 'Mebel, A. M.'], title = 'Kinetics of the CH3 + C5H5 Reaction: A Theoretical Study', @@ -1195,7 +1031,7 @@ referenceType = "theory", rank = 4, longDesc = -u""" +""" CCSD(T)-F12/cc-pVTZ-f12//B2PLYPD3/aug-cc-pVDZ """, ) @@ -1204,16 +1040,11 @@ index = 68, label = "C10H8 + H <=> C10H9", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1.63e+09, 'cm^3/(mol*s)'), - n = 1.61, - Ea = (0.1, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(1.63e+09,'cm^3/(mol*s)'), n=1.61, Ea=(0.1,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: naphthalene_H""", + shortDesc = """Training reaction from kinetics library: naphthalene_H""", longDesc = -u""" +""" Taken from entry: biCPD3ene + H <=> adducta """, ) @@ -1222,16 +1053,11 @@ index = 69, label = "C10H8-2 + H <=> C10H9-2", degeneracy = 4.0, - kinetics = Arrhenius( - A = (1.61e+10, 'cm^3/(mol*s)'), - n = 1.52, - Ea = (0.3, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(1.61e+10,'cm^3/(mol*s)'), n=1.52, Ea=(0.3,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: naphthalene_H""", + shortDesc = """Training reaction from kinetics library: naphthalene_H""", longDesc = -u""" +""" Taken from entry: biCPD3ene + H <=> adductb """, ) @@ -1240,16 +1066,11 @@ index = 70, label = "C10H8-3 + H <=> C10H9-3", degeneracy = 4.0, - kinetics = Arrhenius( - A = (1.61e+10, 'cm^3/(mol*s)'), - n = 1.52, - Ea = (0.3, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(1.61e+10,'cm^3/(mol*s)'), n=1.52, Ea=(0.3,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: naphthalene_H""", + shortDesc = """Training reaction from kinetics library: naphthalene_H""", longDesc = -u""" +""" Taken from entry: biCPD3ene + H <=> adductc """, ) @@ -1258,11 +1079,11 @@ index = 71, label = "C10H9-4 <=> C10H8-4 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(1.34e+08, 's^-1'), n=1.55, Ea=(15.3, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(1.34e+08,'s^-1'), n=1.55, Ea=(15.3,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: naphthalene_H""", + shortDesc = """Training reaction from kinetics library: naphthalene_H""", longDesc = -u""" +""" Taken from entry: prod4 <=> naphthalene + H """, ) @@ -1271,16 +1092,11 @@ index = 72, label = "CH2CHNH2 + H <=> CH2CH2NH2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3.141e+07, 'cm^3/(mol*s)'), - n = 1.767, - Ea = (3729, 'cal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(3.141e+07,'cm^3/(mol*s)'), n=1.767, Ea=(3729,'cal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: Ethylamine""", + shortDesc = """Training reaction from kinetics library: Ethylamine""", longDesc = -u""" +""" CBS-QB3 """, ) @@ -1289,11 +1105,11 @@ index = 73, label = "C2H4 + NH2 <=> CH2CH2NH2", degeneracy = 2.0, - kinetics = Arrhenius(A=(1228, 'cm^3/(mol*s)'), n=2.756, Ea=(1658, 'cal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(1228,'cm^3/(mol*s)'), n=2.756, Ea=(1658,'cal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: Ethylamine""", + shortDesc = """Training reaction from kinetics library: Ethylamine""", longDesc = -u""" +""" CBS-QB3 """, ) @@ -1302,16 +1118,11 @@ index = 74, label = "CH2NH + H <=> CH2NH2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.475e+08, 'cm^3/(mol*s)'), - n = 1.674, - Ea = (2295, 'cal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(1.475e+08,'cm^3/(mol*s)'), n=1.674, Ea=(2295,'cal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: Ethylamine""", + shortDesc = """Training reaction from kinetics library: Ethylamine""", longDesc = -u""" +""" CBS-QB3 """, ) @@ -1320,16 +1131,11 @@ index = 75, label = "C4H9-1 + C8H8 <=> C12H17-1", degeneracy = 1.0, - kinetics = Arrhenius( - A = (236.006, 'cm^3/(mol*s)'), - n = 2.7878, - Ea = (15.4228, 'kJ/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(236.006,'cm^3/(mol*s)'), n=2.7878, Ea=(15.4228,'kJ/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction, kinetics calculated by Lawrence Lai""", + shortDesc = """Training reaction, kinetics calculated by Lawrence Lai""", longDesc = -u""" +""" Training reaction, kinetics calculated by Lawrence Lai under the CBS-QB3 level of theory, 2016 More information can be found on pharos ~laitcl/Gaussian/2017/Kinetics """, @@ -1339,16 +1145,10 @@ index = 76, label = "C9H11-1 <=> C8H8 + CH3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2.59e+12, 's^-1'), - n = 0.733, - Ea = (35.918, 'kcal/mol'), - T0 = (1, 'K'), - comment = 'From 2012 Kislov', - ), + kinetics = Arrhenius(A=(2.59e+12,'s^-1'), n=0.733, Ea=(35.918,'kcal/mol'), T0=(1,'K'), comment="""From 2012 Kislov"""), rank = 10, longDesc = -u""" +""" Originally from reaction library: From 2012 Kislov """, ) @@ -1357,16 +1157,10 @@ index = 77, label = "C9H11-3 <=> C2H4 + C7H7-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2.717e+13, 's^-1'), - n = 0, - Ea = (22.905, 'kcal/mol'), - T0 = (1, 'K'), - comment = 'CBS-QB3', - ), + kinetics = Arrhenius(A=(2.717e+13,'s^-1'), n=0, Ea=(22.905,'kcal/mol'), T0=(1,'K'), comment="""CBS-QB3"""), rank = 10, longDesc = -u""" +""" Originally from reaction library: New_Phenyl_Propene_Pathway CBS-QB3 """, @@ -1376,16 +1170,11 @@ index = 78, label = "C12H18 + H <=> C12H19-1", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8.76237e+07, 'cm^3/(mol*s)'), - n = 1.70829, - Ea = (25.4744, 'kJ/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(8.76237e+07,'cm^3/(mol*s)'), n=1.70829, Ea=(25.4744,'kJ/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction, kinetics calculated by Lawrence Lai""", + shortDesc = """Training reaction, kinetics calculated by Lawrence Lai""", longDesc = -u""" +""" Training reaction, kinetics calculated by Lawrence Lai under the CBS-QB3 level of theory, 2017 Hexylbenzene + H --> CCCCCCC1C=C[CH]C=C1 More information can be found on pharos/home/laitcl/Gaussian/2017/Aromatic Pi Radicals @@ -1396,16 +1185,11 @@ index = 79, label = "C7H8-27 + H <=> C7H9-23", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1.07929e+09, 'cm^3/(mol*s)'), - n = 1.42903, - Ea = (22.7647, 'kJ/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(1.07929e+09,'cm^3/(mol*s)'), n=1.42903, Ea=(22.7647,'kJ/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction, kinetics calculated by Lawrence Lai""", + shortDesc = """Training reaction, kinetics calculated by Lawrence Lai""", longDesc = -u""" +""" Training reaction, kinetics calculated by Lawrence Lai under the CBS-QB3 level of theory, 2017 Toluene + H --> CC1[CH]C=CCC=1 More information can be found on pharos/home/laitcl/Gaussian/2017/Aromatic Pi Radicals @@ -1416,16 +1200,11 @@ index = 80, label = "C7H8-13 + H <=> C7H9-24", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1.02442e+09, 'cm^3/(mol*s)'), - n = 1.43982, - Ea = (18.8871, 'kJ/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(1.02442e+09,'cm^3/(mol*s)'), n=1.43982, Ea=(18.8871,'kJ/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction, kinetics calculated by Lawrence Lai""", + shortDesc = """Training reaction, kinetics calculated by Lawrence Lai""", longDesc = -u""" +""" Training reaction, kinetics calculated by Lawrence Lai under the CBS-QB3 level of theory, 2017 Toluene + H --> CC1=C[CH]C=CC1 More information can be found on pharos/home/laitcl/Gaussian/2017/Aromatic Pi Radicals @@ -1436,16 +1215,11 @@ index = 81, label = "C7H8-29 + H <=> C7H9-25", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.1233e+09, 'cm^3/(mol*s)'), - n = 1.42368, - Ea = (22.5731, 'kJ/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(1.1233e+09,'cm^3/(mol*s)'), n=1.42368, Ea=(22.5731,'kJ/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction, kinetics calculated by Lawrence Lai""", + shortDesc = """Training reaction, kinetics calculated by Lawrence Lai""", longDesc = -u""" +""" Training reaction, kinetics calculated by Lawrence Lai under the CBS-QB3 level of theory, 2017 Toluene + H --> CC1C=CC[CH]C=1 More information can be found on pharos/home/laitcl/Gaussian/2017/Aromatic Pi Radicals @@ -1456,16 +1230,11 @@ index = 82, label = "C7H8-5 + H <=> C7H9-26", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2.20433e+08, 'cm^3/(mol*s)'), - n = 1.56916, - Ea = (26.7856, 'kJ/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(2.20433e+08,'cm^3/(mol*s)'), n=1.56916, Ea=(26.7856,'kJ/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction, kinetics calculated by Lawrence Lai""", + shortDesc = """Training reaction, kinetics calculated by Lawrence Lai""", longDesc = -u""" +""" Training reaction, kinetics calculated by Lawrence Lai under the CBS-QB3 level of theory, 2017 Toluene + H --> CC1C=C[CH]C=C1 More information can be found on pharos/home/laitcl/Gaussian/2017/Aromatic Pi Radicals @@ -1476,11 +1245,11 @@ index = 83, label = "propene_1 + C6H5 <=> C9H11", degeneracy = 1.0, - kinetics = Arrhenius(A=(3132, 'cm^3/(mol*s)'), n=2.668, Ea=(0.41, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(3132,'cm^3/(mol*s)'), n=2.668, Ea=(0.41,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Buras_C6H5_C3H6_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Buras_C6H5_C3H6_highP""", longDesc = -u""" +""" Taken from entry: C6H5 + C3H6 <=> i1 """, ) @@ -1489,16 +1258,11 @@ index = 84, label = "propene_2 + C6H5 <=> C9H11-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (681.8, 'cm^3/(mol*s)'), - n = 2.75, - Ea = (2.279, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(681.8,'cm^3/(mol*s)'), n=2.75, Ea=(2.279,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Buras_C6H5_C3H6_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Buras_C6H5_C3H6_highP""", longDesc = -u""" +""" Taken from entry: C6H5 + C3H6 <=> i2 """, ) @@ -1507,11 +1271,11 @@ index = 85, label = "C9H11-4 <=> C9H10 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(7.532e+07, 's^-1'), n=1.831, Ea=(34.3, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(7.532e+07,'s^-1'), n=1.831, Ea=(34.3,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Buras_C6H5_C3H6_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Buras_C6H5_C3H6_highP""", longDesc = -u""" +""" Taken from entry: i1 <=> p2 + H """, ) @@ -1520,11 +1284,11 @@ index = 86, label = "C9H11-5 <=> C9H10-2 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(4.133e+08, 's^-1'), n=1.389, Ea=(34.424, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(4.133e+08,'s^-1'), n=1.389, Ea=(34.424,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Buras_C6H5_C3H6_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Buras_C6H5_C3H6_highP""", longDesc = -u""" +""" Taken from entry: i1 <=> p3 + H """, ) @@ -1533,11 +1297,11 @@ index = 87, label = "C9H11-6 <=> C8H8-2 + CH3", degeneracy = 1.0, - kinetics = Arrhenius(A=(5.169e+10, 's^-1'), n=0.925, Ea=(28.785, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(5.169e+10,'s^-1'), n=0.925, Ea=(28.785,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Buras_C6H5_C3H6_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Buras_C6H5_C3H6_highP""", longDesc = -u""" +""" Taken from entry: i2 <=> p1 + CH3 """, ) @@ -1546,11 +1310,11 @@ index = 88, label = "C9H11-7 <=> C9H10-3 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(1.145e+09, 's^-1'), n=1.255, Ea=(34.391, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(1.145e+09,'s^-1'), n=1.255, Ea=(34.391,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Buras_C6H5_C3H6_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Buras_C6H5_C3H6_highP""", longDesc = -u""" +""" Taken from entry: i2 <=> p4 + H """, ) @@ -1559,11 +1323,11 @@ index = 89, label = "C9H11-8 <=> C9H10-4 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(3.77e+08, 's^-1'), n=1.506, Ea=(35.156, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(3.77e+08,'s^-1'), n=1.506, Ea=(35.156,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Buras_C6H5_C3H6_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Buras_C6H5_C3H6_highP""", longDesc = -u""" +""" Taken from entry: i4 <=> p2 + H """, ) @@ -1572,11 +1336,11 @@ index = 90, label = "C9H11-9 <=> C9H10-5 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(4.595e+09, 's^-1'), n=1.097, Ea=(22.941, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(4.595e+09,'s^-1'), n=1.097, Ea=(22.941,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Buras_C6H5_C3H6_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Buras_C6H5_C3H6_highP""", longDesc = -u""" +""" Taken from entry: i5 <=> p5 + H """, ) @@ -1585,11 +1349,11 @@ index = 91, label = "C9H11-10 <=> C9H10-6 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(7.6e+09, 's^-1'), n=1.106, Ea=(25.978, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(7.6e+09,'s^-1'), n=1.106, Ea=(25.978,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Buras_C6H5_C3H6_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Buras_C6H5_C3H6_highP""", longDesc = -u""" +""" Taken from entry: i6 <=> p2 + H """, ) @@ -1598,11 +1362,11 @@ index = 92, label = "C9H11-1 <=> C8H8 + CH3", degeneracy = 1.0, - kinetics = Arrhenius(A=(4.276e+11, 's^-1'), n=0.842, Ea=(35.998, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(4.276e+11,'s^-1'), n=0.842, Ea=(35.998,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Buras_C6H5_C3H6_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Buras_C6H5_C3H6_highP""", longDesc = -u""" +""" Taken from entry: i7 <=> p1 + CH3 """, ) @@ -1611,11 +1375,11 @@ index = 93, label = "C9H11-11 <=> C9H10-7 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(3.757e+10, 's^-1'), n=1.083, Ea=(40.433, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(3.757e+10,'s^-1'), n=1.083, Ea=(40.433,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Buras_C6H5_C3H6_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Buras_C6H5_C3H6_highP""", longDesc = -u""" +""" Taken from entry: i7 <=> p3 + H """, ) @@ -1624,11 +1388,11 @@ index = 94, label = "C9H11-12 <=> C8H8-3 + CH3", degeneracy = 1.0, - kinetics = Arrhenius(A=(1.37e+13, 's^-1'), n=0.61, Ea=(48.173, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(1.37e+13,'s^-1'), n=0.61, Ea=(48.173,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Buras_C6H5_C3H6_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Buras_C6H5_C3H6_highP""", longDesc = -u""" +""" Taken from entry: i8 <=> p7 + CH3 """, ) @@ -1637,11 +1401,11 @@ index = 95, label = "C9H11-13 <=> C9H10-8 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(9.945e+09, 's^-1'), n=1.096, Ea=(26.664, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(9.945e+09,'s^-1'), n=1.096, Ea=(26.664,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Buras_C6H5_C3H6_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Buras_C6H5_C3H6_highP""", longDesc = -u""" +""" Taken from entry: i8 <=> p8 + H """, ) @@ -1650,11 +1414,11 @@ index = 96, label = "C9H11-14 <=> C9H10-9 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(4.086e+10, 's^-1'), n=0.921, Ea=(25.035, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(4.086e+10,'s^-1'), n=0.921, Ea=(25.035,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Buras_C6H5_C3H6_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Buras_C6H5_C3H6_highP""", longDesc = -u""" +""" Taken from entry: i10 <=> p4 + H """, ) @@ -1663,11 +1427,11 @@ index = 97, label = "C9H11-3 <=> C2H4 + C7H7-3", degeneracy = 1.0, - kinetics = Arrhenius(A=(4.39e+09, 's^-1'), n=1.1, Ea=(22.881, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(4.39e+09,'s^-1'), n=1.1, Ea=(22.881,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Buras_C6H5_C3H6_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Buras_C6H5_C3H6_highP""", longDesc = -u""" +""" Taken from entry: i4 <=> benzyl + C2H4 """, ) @@ -1676,16 +1440,11 @@ index = 98, label = "C7H8-5 + H <=> C7H9-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4.65e+06, 'cm^3/(mol*s)'), - n = 2.063, - Ea = (3.976, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(4.65e+06,'cm^3/(mol*s)'), n=2.063, Ea=(3.976,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: 2001_Tokmakov_H_Toluene_to_CH3_Benzene_high_P""", + shortDesc = """Training reaction from kinetics library: 2001_Tokmakov_H_Toluene_to_CH3_Benzene_high_P""", longDesc = -u""" +""" Taken from entry: C6H5CH3 + H <=> ipso-(C7H9) """, ) @@ -1694,11 +1453,11 @@ index = 99, label = "C7H9-8 <=> C6H6-2 + CH3", degeneracy = 1.0, - kinetics = Arrhenius(A=(5.831e+11, 's^-1'), n=0.669, Ea=(19.862, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(5.831e+11,'s^-1'), n=0.669, Ea=(19.862,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: 2001_Tokmakov_H_Toluene_to_CH3_Benzene_high_P""", + shortDesc = """Training reaction from kinetics library: 2001_Tokmakov_H_Toluene_to_CH3_Benzene_high_P""", longDesc = -u""" +""" Taken from entry: ipso-(C7H9) <=> C6H6 + CH3 """, ) @@ -1707,16 +1466,11 @@ index = 100, label = "C4H6 + C2H3 <=> C6H9-6", degeneracy = 2.0, - kinetics = Arrhenius( - A = (39130, 'cm^3/(mol*s)'), - n = 2.404, - Ea = (0.42, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(39130,'cm^3/(mol*s)'), n=2.404, Ea=(0.42,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: 2015_Buras_C2H3_C4H6_highP""", + shortDesc = """Training reaction from kinetics library: 2015_Buras_C2H3_C4H6_highP""", longDesc = -u""" +""" Taken from entry: C2H3 + C4H6 <=> C6H9 """, ) @@ -1725,11 +1479,11 @@ index = 101, label = "C6H9-7 <=> C6H8-3 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(2.29e+06, 's^-1'), n=2.017, Ea=(40.664, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(2.29e+06,'s^-1'), n=2.017, Ea=(40.664,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: 2015_Buras_C2H3_C4H6_highP""", + shortDesc = """Training reaction from kinetics library: 2015_Buras_C2H3_C4H6_highP""", longDesc = -u""" +""" Taken from entry: C6H9 <=> C6H8 + H """, ) @@ -1738,11 +1492,11 @@ index = 102, label = "C6H9-8 <=> C6H8-4 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(1.972e+07, 's^-1'), n=1.802, Ea=(32.304, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(1.972e+07,'s^-1'), n=1.802, Ea=(32.304,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: 2015_Buras_C2H3_C4H6_highP""", + shortDesc = """Training reaction from kinetics library: 2015_Buras_C2H3_C4H6_highP""", longDesc = -u""" +""" Taken from entry: c5-C6H9 <=> H + c5-C6H8 """, ) @@ -1751,11 +1505,11 @@ index = 103, label = "C6H9-9 <=> C6H8-5 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(7.487e+08, 's^-1'), n=1.395, Ea=(33.132, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(7.487e+08,'s^-1'), n=1.395, Ea=(33.132,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: 2015_Buras_C2H3_C4H6_highP""", + shortDesc = """Training reaction from kinetics library: 2015_Buras_C2H3_C4H6_highP""", longDesc = -u""" +""" Taken from entry: c6-C6H9 <=> H + C6H8-c6-13 """, ) @@ -1764,11 +1518,11 @@ index = 104, label = "C6H9-10 <=> C6H8-6 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(2.097e+09, 's^-1'), n=1.299, Ea=(33.394, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(2.097e+09,'s^-1'), n=1.299, Ea=(33.394,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: 2015_Buras_C2H3_C4H6_highP""", + shortDesc = """Training reaction from kinetics library: 2015_Buras_C2H3_C4H6_highP""", longDesc = -u""" +""" Taken from entry: c6-C6H9 <=> H + C6H8-c6-14 """, ) @@ -1777,11 +1531,11 @@ index = 105, label = "C6H9-11 <=> C5H6-2 + CH3", degeneracy = 1.0, - kinetics = Arrhenius(A=(4.961e+11, 's^-1'), n=0.717, Ea=(38.962, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(4.961e+11,'s^-1'), n=0.717, Ea=(38.962,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: 2015_Buras_C2H3_C4H6_highP""", + shortDesc = """Training reaction from kinetics library: 2015_Buras_C2H3_C4H6_highP""", longDesc = -u""" +""" Taken from entry: c5-C6H9-2 <=> C5H6 + CH3 """, ) @@ -1790,16 +1544,11 @@ index = 106, label = "C4H4 + C6H5 <=> C10H9-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (32420, 'cm^3/(mol*s)'), - n = 2.179, - Ea = (-0.282, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(32420,'cm^3/(mol*s)'), n=2.179, Ea=(-0.282,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H5_C4H4_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H5_C4H4_highP""", longDesc = -u""" +""" Taken from entry: C6H5 + C4H4 <=> W1 """, ) @@ -1808,11 +1557,11 @@ index = 107, label = "C10H9-6 <=> C10H8-5 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(1.456e+08, 's^-1'), n=1.511, Ea=(40.052, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(1.456e+08,'s^-1'), n=1.511, Ea=(40.052,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H5_C4H4_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H5_C4H4_highP""", longDesc = -u""" +""" Taken from entry: W1 <=> P2 + H """, ) @@ -1821,16 +1570,11 @@ index = 108, label = "C4H4-2 + C6H5 <=> C10H9-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (392600, 'cm^3/(mol*s)'), - n = 2.192, - Ea = (4.297, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(392600,'cm^3/(mol*s)'), n=2.192, Ea=(4.297,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H5_C4H4_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H5_C4H4_highP""", longDesc = -u""" +""" Taken from entry: C6H5 + C4H4 <=> W2 """, ) @@ -1839,16 +1583,11 @@ index = 109, label = "C4H4-3 + C6H5 <=> C10H9-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (44410, 'cm^3/(mol*s)'), - n = 2.177, - Ea = (1.454, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(44410,'cm^3/(mol*s)'), n=2.177, Ea=(1.454,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H5_C4H4_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H5_C4H4_highP""", longDesc = -u""" +""" Taken from entry: C6H5 + C4H4 <=> W3 """, ) @@ -1857,11 +1596,11 @@ index = 110, label = "C10H9-9 <=> C10H8-6 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(2.076e+12, 's^-1'), n=0.597, Ea=(36.928, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(2.076e+12,'s^-1'), n=0.597, Ea=(36.928,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H5_C4H4_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H5_C4H4_highP""", longDesc = -u""" +""" Taken from entry: W10 <=> P2 + H """, ) @@ -1870,11 +1609,11 @@ index = 111, label = "C10H9-10 <=> C10H8-7 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(2.394e+10, 's^-1'), n=1.133, Ea=(39.957, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(2.394e+10,'s^-1'), n=1.133, Ea=(39.957,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H5_C4H4_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H5_C4H4_highP""", longDesc = -u""" +""" Taken from entry: W16 <=> P2 + H """, ) @@ -1883,11 +1622,11 @@ index = 112, label = "C10H9-11 <=> C10H8-8 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(1.951e+13, 's^-1'), n=0.612, Ea=(49.045, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(1.951e+13,'s^-1'), n=0.612, Ea=(49.045,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H5_C4H4_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H5_C4H4_highP""", longDesc = -u""" +""" Taken from entry: W20 <=> P2 + H """, ) @@ -1896,11 +1635,11 @@ index = 113, label = "C4H4-4 + C6H5 <=> C10H9-12", degeneracy = 1.0, - kinetics = Arrhenius(A=(1571, 'cm^3/(mol*s)'), n=2.63, Ea=(2.072, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(1571,'cm^3/(mol*s)'), n=2.63, Ea=(2.072,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H5_C4H4_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H5_C4H4_highP""", longDesc = -u""" +""" Taken from entry: C6H5 + C4H4 <=> W14 """, ) @@ -1909,16 +1648,11 @@ index = 114, label = "C10H8-9 + H <=> C10H9-13", degeneracy = 4.0, - kinetics = Arrhenius( - A = (1.824e+09, 'cm^3/(mol*s)'), - n = 1.551, - Ea = (4.518, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(1.824e+09,'cm^3/(mol*s)'), n=1.551, Ea=(4.518,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H5_C4H4_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H5_C4H4_highP""", longDesc = -u""" +""" Taken from entry: P1 + H <=> W6 """, ) @@ -1927,16 +1661,11 @@ index = 115, label = "C10H8-10 + H <=> C10H9-14", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1.785e+08, 'cm^3/(mol*s)'), - n = 1.663, - Ea = (10.356, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(1.785e+08,'cm^3/(mol*s)'), n=1.663, Ea=(10.356,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H5_C4H4_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H5_C4H4_highP""", longDesc = -u""" +""" Taken from entry: P1 + H <=> W13 """, ) @@ -1945,16 +1674,11 @@ index = 116, label = "C10H8-11 + H <=> C10H9-15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.163e+11, 'cm^3/(mol*s)'), - n = 1.054, - Ea = (3.968, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(1.163e+11,'cm^3/(mol*s)'), n=1.054, Ea=(3.968,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H5_C4H4_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H5_C4H4_highP""", longDesc = -u""" +""" Taken from entry: P4 + H <=> W3 """, ) @@ -1963,16 +1687,11 @@ index = 117, label = "C10H8-12 + H <=> C10H9-16", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6.786e+08, 'cm^3/(mol*s)'), - n = 1.533, - Ea = (3.846, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(6.786e+08,'cm^3/(mol*s)'), n=1.533, Ea=(3.846,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H5_C4H4_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H5_C4H4_highP""", longDesc = -u""" +""" Taken from entry: P4 + H <=> W9 """, ) @@ -1981,16 +1700,11 @@ index = 118, label = "C10H8-13 + H <=> C10H9-17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5.278e+08, 'cm^3/(mol*s)'), - n = 1.505, - Ea = (5.344, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(5.278e+08,'cm^3/(mol*s)'), n=1.505, Ea=(5.344,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H5_C4H4_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H5_C4H4_highP""", longDesc = -u""" +""" Taken from entry: P5 + H <=> W3 """, ) @@ -1999,16 +1713,11 @@ index = 119, label = "C10H8-14 + H <=> C10H9-18", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.149e+09, 'cm^3/(mol*s)'), - n = 1.595, - Ea = (4.014, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(1.149e+09,'cm^3/(mol*s)'), n=1.595, Ea=(4.014,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H5_C4H4_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H5_C4H4_highP""", longDesc = -u""" +""" Taken from entry: P5 + H <=> W20 """, ) @@ -2017,16 +1726,11 @@ index = 120, label = "C10H8-15 + H <=> C10H9-19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.081e+08, 'cm^3/(mol*s)'), - n = 1.65, - Ea = (6.797, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(1.081e+08,'cm^3/(mol*s)'), n=1.65, Ea=(6.797,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H5_C4H4_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H5_C4H4_highP""", longDesc = -u""" +""" Taken from entry: P6 + H <=> W14 """, ) @@ -2035,16 +1739,11 @@ index = 121, label = "C10H10-10 + H <=> C10H11-15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2.4e+08, 'cm^3/(mol*s)'), - n = 1.58, - Ea = (1.6, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(2.4e+08,'cm^3/(mol*s)'), n=1.58, Ea=(1.6,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: C10H11""", + shortDesc = """Training reaction from kinetics library: C10H11""", longDesc = -u""" +""" Taken from entry: pdt13 + H <=> pdt25 """, ) @@ -2053,11 +1752,11 @@ index = 122, label = "C9H8-3 + CH3 <=> C10H11-16", degeneracy = 1.0, - kinetics = Arrhenius(A=(643, 'cm^3/(mol*s)'), n=2.8, Ea=(8.6, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(643,'cm^3/(mol*s)'), n=2.8, Ea=(8.6,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: C10H11""", + shortDesc = """Training reaction from kinetics library: C10H11""", longDesc = -u""" +""" Taken from entry: INDENE + CH3 <=> pdt27 """, ) @@ -2066,11 +1765,11 @@ index = 123, label = "C7H9-27 <=> C7H8-13 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(1.06e+10, 's^-1'), n=1.26, Ea=(28.1, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(1.06e+10,'s^-1'), n=1.26, Ea=(28.1,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: vinylCPD_H""", + shortDesc = """Training reaction from kinetics library: vinylCPD_H""", longDesc = -u""" +""" Taken from entry: product20 <=> TOLUENE + H """, ) @@ -2079,16 +1778,11 @@ index = 124, label = "C3H4-2 + C6H5 <=> C9H9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2.075e+06, 'cm^3/(mol*s)'), - n = 2.038, - Ea = (3.037, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(2.075e+06,'cm^3/(mol*s)'), n=2.038, Ea=(3.037,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C9H9_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C9H9_highP""", longDesc = -u""" +""" Taken from entry: phenyl + HCCCH3 <=> W1_2 """, ) @@ -2097,16 +1791,11 @@ index = 125, label = "C3H4-4 + C6H5 <=> C9H9-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (630400, 'cm^3/(mol*s)'), - n = 2.103, - Ea = (6.093, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(630400,'cm^3/(mol*s)'), n=2.103, Ea=(6.093,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C9H9_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C9H9_highP""", longDesc = -u""" +""" Taken from entry: phenyl + HCCCH3 <=> W3_4 """, ) @@ -2115,16 +1804,11 @@ index = 126, label = "C3H4 + C6H5 <=> C9H9-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (28890, 'cm^3/(mol*s)'), - n = 2.595, - Ea = (3.241, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(28890,'cm^3/(mol*s)'), n=2.595, Ea=(3.241,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C9H9_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C9H9_highP""", longDesc = -u""" +""" Taken from entry: phenyl + H2CCCH2 <=> W6 """, ) @@ -2133,11 +1817,11 @@ index = 127, label = "C3H4-3 + C6H5 <=> C9H9-4", degeneracy = 2.0, - kinetics = Arrhenius(A=(4578, 'cm^3/(mol*s)'), n=2.53, Ea=(1.932, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(4578,'cm^3/(mol*s)'), n=2.53, Ea=(1.932,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C9H9_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C9H9_highP""", longDesc = -u""" +""" Taken from entry: phenyl + H2CCCH2 <=> W11 """, ) @@ -2146,16 +1830,11 @@ index = 128, label = "C2H2 + C7H7-3 <=> C9H9-5", degeneracy = 2.0, - kinetics = Arrhenius( - A = (892300, 'cm^3/(mol*s)'), - n = 2.091, - Ea = (11.371, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(892300,'cm^3/(mol*s)'), n=2.091, Ea=(11.371,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C9H9_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C9H9_highP""", longDesc = -u""" +""" Taken from entry: benzyl + C2H2 <=> W20 """, ) @@ -2164,16 +1843,11 @@ index = 129, label = "C9H8-4 + H <=> C9H9-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9.954e+07, 'cm^3/(mol*s)'), - n = 1.548, - Ea = (4.985, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(9.954e+07,'cm^3/(mol*s)'), n=1.548, Ea=(4.985,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C9H9_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C9H9_highP""", longDesc = -u""" +""" Taken from entry: Indene + H <=> W15 """, ) @@ -2182,16 +1856,11 @@ index = 130, label = "C9H8-5 + H <=> C9H9-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2.514e+08, 'cm^3/(mol*s)'), - n = 1.545, - Ea = (3.073, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(2.514e+08,'cm^3/(mol*s)'), n=1.545, Ea=(3.073,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C9H9_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C9H9_highP""", longDesc = -u""" +""" Taken from entry: Indene + H <=> W22 """, ) @@ -2200,16 +1869,11 @@ index = 131, label = "C9H8-6 + H <=> C9H9-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3.739e+10, 'cm^3/(mol*s)'), - n = 0.881, - Ea = (-0.465, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(3.739e+10,'cm^3/(mol*s)'), n=0.881, Ea=(-0.465,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C9H9_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C9H9_highP""", longDesc = -u""" +""" Taken from entry: Indene + H <=> W23 """, ) @@ -2218,16 +1882,11 @@ index = 132, label = "C9H8-7 + H <=> C9H9-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7.379e+07, 'cm^3/(mol*s)'), - n = 1.723, - Ea = (7.429, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(7.379e+07,'cm^3/(mol*s)'), n=1.723, Ea=(7.429,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C9H9_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C9H9_highP""", longDesc = -u""" +""" Taken from entry: Indene + H <=> W18 """, ) @@ -2236,16 +1895,11 @@ index = 133, label = "C9H8-8 + H <=> C9H9-10", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.639e+10, 'cm^3/(mol*s)'), - n = 1.06, - Ea = (4.834, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(1.639e+10,'cm^3/(mol*s)'), n=1.06, Ea=(4.834,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C9H9_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C9H9_highP""", longDesc = -u""" +""" Taken from entry: P2 + H <=> W1_2 """, ) @@ -2254,16 +1908,11 @@ index = 134, label = "C9H8-9 + H <=> C9H9-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3.492e+10, 'cm^3/(mol*s)'), - n = 1.051, - Ea = (3.163, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(3.492e+10,'cm^3/(mol*s)'), n=1.051, Ea=(3.163,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C9H9_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C9H9_highP""", longDesc = -u""" +""" Taken from entry: P2 + H <=> W5 """, ) @@ -2272,16 +1921,11 @@ index = 135, label = "C9H8-10 + H <=> C9H9-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8.175e+08, 'cm^3/(mol*s)'), - n = 1.505, - Ea = (2.462, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(8.175e+08,'cm^3/(mol*s)'), n=1.505, Ea=(2.462,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C9H9_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C9H9_highP""", longDesc = -u""" +""" Taken from entry: phenyl-allene + H <=> W1_2 """, ) @@ -2290,16 +1934,11 @@ index = 136, label = "C9H8-11 + H <=> C9H9-13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3.339e+08, 'cm^3/(mol*s)'), - n = 1.587, - Ea = (2.425, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(3.339e+08,'cm^3/(mol*s)'), n=1.587, Ea=(2.425,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C9H9_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C9H9_highP""", longDesc = -u""" +""" Taken from entry: phenyl-allene + H <=> W8_9 """, ) @@ -2308,16 +1947,11 @@ index = 137, label = "C9H8-12 + H <=> C9H9-14", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3.113e+08, 'cm^3/(mol*s)'), - n = 1.511, - Ea = (4.384, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(3.113e+08,'cm^3/(mol*s)'), n=1.511, Ea=(4.384,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C9H9_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C9H9_highP""", longDesc = -u""" +""" Taken from entry: phenyl-allene + H <=> W11 """, ) @@ -2326,16 +1960,11 @@ index = 138, label = "C9H8-13 + H <=> C9H9-15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.255e+11, 'cm^3/(mol*s)'), - n = 1.005, - Ea = (3.143, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(1.255e+11,'cm^3/(mol*s)'), n=1.005, Ea=(3.143,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C9H9_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C9H9_highP""", longDesc = -u""" +""" Taken from entry: P4 + H <=> W11 """, ) @@ -2344,16 +1973,11 @@ index = 139, label = "C9H8-14 + H <=> C9H9-16", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2.276e+10, 'cm^3/(mol*s)'), - n = 1.103, - Ea = (4.911, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(2.276e+10,'cm^3/(mol*s)'), n=1.103, Ea=(4.911,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C9H9_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C9H9_highP""", longDesc = -u""" +""" Taken from entry: P4 + H <=> W20 """, ) @@ -2362,16 +1986,11 @@ index = 140, label = "C8H6 + CH3 <=> C9H9-17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (563200, 'cm^3/(mol*s)'), - n = 2.488, - Ea = (11.733, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(563200,'cm^3/(mol*s)'), n=2.488, Ea=(11.733,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C9H9_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C9H9_highP""", longDesc = -u""" +""" Taken from entry: phenylacetylene + CH3 <=> W3_4 """, ) @@ -2380,16 +1999,11 @@ index = 141, label = "C8H6-2 + CH3 <=> C9H9-18", degeneracy = 1.0, - kinetics = Arrhenius( - A = (713400, 'cm^3/(mol*s)'), - n = 2.58, - Ea = (7.568, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(713400,'cm^3/(mol*s)'), n=2.58, Ea=(7.568,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C9H9_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C9H9_highP""", longDesc = -u""" +""" Taken from entry: phenylacetylene + CH3 <=> W5 """, ) @@ -2398,16 +2012,11 @@ index = 142, label = "C10H10-11 + H <=> C10H11-17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2.059e+08, 'cm^3/(mol*s)'), - n = 1.596, - Ea = (4.69, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(2.059e+08,'cm^3/(mol*s)'), n=1.596, Ea=(4.69,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_Indene_CH3_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_Indene_CH3_highP""", longDesc = -u""" +""" Taken from entry: 3_methylindene + H <=> W1 """, ) @@ -2416,16 +2025,11 @@ index = 143, label = "C10H10-12 + H <=> C10H11-18", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5.904e+08, 'cm^3/(mol*s)'), - n = 1.534, - Ea = (3.418, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(5.904e+08,'cm^3/(mol*s)'), n=1.534, Ea=(3.418,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_Indene_CH3_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_Indene_CH3_highP""", longDesc = -u""" +""" Taken from entry: 1_methylindene + H <=> W1 """, ) @@ -2434,16 +2038,11 @@ index = 144, label = "C9H8-5 + CH3 <=> C10H11-19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3206, 'cm^3/(mol*s)'), - n = 2.611, - Ea = (8.195, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(3206,'cm^3/(mol*s)'), n=2.611, Ea=(8.195,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_Indene_CH3_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_Indene_CH3_highP""", longDesc = -u""" +""" Taken from entry: Indene + CH3 <=> W1 """, ) @@ -2452,16 +2051,11 @@ index = 145, label = "C10H10-13 + H <=> C10H11-20", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.441e+08, 'cm^3/(mol*s)'), - n = 1.514, - Ea = (2.403, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(1.441e+08,'cm^3/(mol*s)'), n=1.514, Ea=(2.403,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_Indene_CH3_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_Indene_CH3_highP""", longDesc = -u""" +""" Taken from entry: 2_methylindene + H <=> W2 """, ) @@ -2470,16 +2064,11 @@ index = 146, label = "C9H8-6 + CH3 <=> C10H11-21", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5064, 'cm^3/(mol*s)'), - n = 2.608, - Ea = (5.867, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(5064,'cm^3/(mol*s)'), n=2.608, Ea=(5.867,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_Indene_CH3_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_Indene_CH3_highP""", longDesc = -u""" +""" Taken from entry: Indene + CH3 <=> W2 """, ) @@ -2488,11 +2077,11 @@ index = 147, label = "C4H6 + C6H5 <=> C10H11-22", degeneracy = 2.0, - kinetics = Arrhenius(A=(813000, 'cm^3/(mol*s)'), n=2.56, Ea=(0, 'kJ/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(813000,'cm^3/(mol*s)'), n=2.56, Ea=(0,'kJ/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2005_Ismail_C6H5_C4H6_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2005_Ismail_C6H5_C4H6_highP""", longDesc = -u""" +""" Taken from entry: phenyl + 1_3_butadiene <=> 4_phenyl_buten_3_yl """, ) @@ -2501,11 +2090,11 @@ index = 148, label = "C4H6-2 + C6H5 <=> C10H11-23", degeneracy = 2.0, - kinetics = Arrhenius(A=(47900, 'cm^3/(mol*s)'), n=2.65, Ea=(16.7, 'kJ/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(47900,'cm^3/(mol*s)'), n=2.65, Ea=(16.7,'kJ/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2005_Ismail_C6H5_C4H6_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2005_Ismail_C6H5_C4H6_highP""", longDesc = -u""" +""" Taken from entry: phenyl + 1_3_butadiene <=> 3_phenyl_buten_4_yl """, ) @@ -2514,11 +2103,11 @@ index = 149, label = "C10H11-24 <=> C10H10-14 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(6.61e+07, 's^-1'), n=2.11, Ea=(161.62, 'kJ/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(6.61e+07,'s^-1'), n=2.11, Ea=(161.62,'kJ/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2005_Ismail_C6H5_C4H6_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2005_Ismail_C6H5_C4H6_highP""", longDesc = -u""" +""" Taken from entry: 4_phenyl_buten_3_yl <=> 1_phenyl_1_3_butadiene + H """, ) @@ -2527,11 +2116,11 @@ index = 150, label = "C10H11-14 <=> C10H10-9 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(1.38e+10, 's^-1'), n=1.25, Ea=(92.6, 'kJ/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(1.38e+10,'s^-1'), n=1.25, Ea=(92.6,'kJ/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2005_Ismail_C6H5_C4H6_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2005_Ismail_C6H5_C4H6_highP""", longDesc = -u""" +""" Taken from entry: trihydronaphthalene <=> 1_4_dihydro_naphthalene + H """, ) @@ -2540,16 +2129,11 @@ index = 151, label = "C2H2 + C8H7 <=> C10H9-20", degeneracy = 2.0, - kinetics = Arrhenius( - A = (7.12e+07, 'cm^3/(mol*s)'), - n = 1.489, - Ea = (4.331, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(7.12e+07,'cm^3/(mol*s)'), n=1.489, Ea=(4.331,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C10H9_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C10H9_highP""", longDesc = -u""" +""" Taken from entry: C6H4C2H3 + C2H2 <=> W5 """, ) @@ -2558,11 +2142,11 @@ index = 152, label = "C10H9-21 <=> C10H8-16 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(2.567e+11, 's^-1'), n=0.787, Ea=(28.205, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(2.567e+11,'s^-1'), n=0.787, Ea=(28.205,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C10H9_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C10H9_highP""", longDesc = -u""" +""" Taken from entry: W6 <=> P1 + H """, ) @@ -2571,11 +2155,11 @@ index = 153, label = "C10H9-22 <=> C10H8-17 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(1.191e+09, 's^-1'), n=1.264, Ea=(30.816, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(1.191e+09,'s^-1'), n=1.264, Ea=(30.816,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C10H9_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C10H9_highP""", longDesc = -u""" +""" Taken from entry: W8 <=> P2 + H """, ) @@ -2584,11 +2168,11 @@ index = 154, label = "C10H9-23 <=> C10H8-18 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(1.304e+10, 's^-1'), n=1.16, Ea=(37.552, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(1.304e+10,'s^-1'), n=1.16, Ea=(37.552,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C10H9_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C10H9_highP""", longDesc = -u""" +""" Taken from entry: W5 <=> P5 + H """, ) @@ -2597,11 +2181,11 @@ index = 155, label = "C10H9-24 <=> C10H8-19 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(2.05e+10, 's^-1'), n=1.329, Ea=(52.477, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(2.05e+10,'s^-1'), n=1.329, Ea=(52.477,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C10H9_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C10H9_highP""", longDesc = -u""" +""" Taken from entry: W101 <=> P2 + H """, ) @@ -2610,11 +2194,11 @@ index = 156, label = "C10H9-25 <=> C10H8-20 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(7.923e+11, 's^-1'), n=0.777, Ea=(40.274, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(7.923e+11,'s^-1'), n=0.777, Ea=(40.274,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C10H9_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C10H9_highP""", longDesc = -u""" +""" Taken from entry: W102 <=> P2 + H """, ) @@ -2623,11 +2207,11 @@ index = 157, label = "C10H9-26 <=> C10H8-21 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(4.568e+11, 's^-1'), n=0.972, Ea=(78.037, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(4.568e+11,'s^-1'), n=0.972, Ea=(78.037,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C10H9_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C10H9_highP""", longDesc = -u""" +""" Taken from entry: W103 <=> P105 + H """, ) @@ -2636,11 +2220,11 @@ index = 158, label = "C10H9-27 <=> C10H8-22 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(8.249e+08, 's^-1'), n=1.2, Ea=(27.426, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(8.249e+08,'s^-1'), n=1.2, Ea=(27.426,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C10H9_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C10H9_highP""", longDesc = -u""" +""" Taken from entry: W107 <=> P109 + H """, ) @@ -2649,11 +2233,11 @@ index = 159, label = "C10H9-28 <=> C10H8-23 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(1.956e+11, 's^-1'), n=0.789, Ea=(32.262, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(1.956e+11,'s^-1'), n=0.789, Ea=(32.262,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C10H9_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C10H9_highP""", longDesc = -u""" +""" Taken from entry: W118 <=> P1 + H """, ) @@ -2662,11 +2246,11 @@ index = 160, label = "C10H9-29 <=> C10H8-24 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(3.427e+09, 's^-1'), n=1.431, Ea=(66.532, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(3.427e+09,'s^-1'), n=1.431, Ea=(66.532,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C10H9_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C10H9_highP""", longDesc = -u""" +""" Taken from entry: W106 <=> P109 + H """, ) @@ -2675,11 +2259,11 @@ index = 161, label = "C10H9-30 <=> C10H8-25 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(1.893e+15, 's^-1'), n=-0.16, Ea=(65.494, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(1.893e+15,'s^-1'), n=-0.16, Ea=(65.494,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C10H9_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C10H9_highP""", longDesc = -u""" +""" Taken from entry: W108 <=> P109 + H """, ) @@ -2688,11 +2272,11 @@ index = 162, label = "C10H9-31 <=> C10H8-26 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(1.234e+12, 's^-1'), n=0.766, Ea=(43.611, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(1.234e+12,'s^-1'), n=0.766, Ea=(43.611,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C10H9_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C10H9_highP""", longDesc = -u""" +""" Taken from entry: W119 <=> P2 + H """, ) @@ -2701,11 +2285,11 @@ index = 163, label = "C10H10-16 <=> C10H9-32 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(5.401e+11, 's^-1'), n=0.549, Ea=(19.678, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(5.401e+11,'s^-1'), n=0.549, Ea=(19.678,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2012_Matsugi_C3H3_C7H7_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2012_Matsugi_C3H3_C7H7_highP""", longDesc = -u""" +""" Taken from entry: W14 <=> P9 + H """, ) @@ -2714,16 +2298,11 @@ index = 164, label = "C2H2 + C8H5 <=> C10H7", degeneracy = 2.0, - kinetics = Arrhenius( - A = (4.068e+06, 'cm^3/(mol*s)'), - n = 1.842, - Ea = (3.272, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(4.068e+06,'cm^3/(mol*s)'), n=1.842, Ea=(3.272,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H4C2H_C2H2_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H4C2H_C2H2_highP""", longDesc = -u""" +""" Taken from entry: R1 + C2H2 <=> W1 """, ) @@ -2732,16 +2311,11 @@ index = 165, label = "C10H6 + H <=> C10H7-2", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1.775e+09, 'cm^3/(mol*s)'), - n = 1.414, - Ea = (6.896, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(1.775e+09,'cm^3/(mol*s)'), n=1.414, Ea=(6.896,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H4C2H_C2H2_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H4C2H_C2H2_highP""", longDesc = -u""" +""" Taken from entry: P1 + H <=> W1 """, ) @@ -2750,16 +2324,11 @@ index = 166, label = "C10H6-2 + H <=> C10H7-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4.586e+11, 'cm^3/(mol*s)'), - n = 0.743, - Ea = (0.228, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(4.586e+11,'cm^3/(mol*s)'), n=0.743, Ea=(0.228,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H4C2H_C2H2_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H4C2H_C2H2_highP""", longDesc = -u""" +""" Taken from entry: P2 + H <=> W2 """, ) @@ -2768,16 +2337,11 @@ index = 167, label = "C10H6-3 + H <=> C10H7-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.409e+12, 'cm^3/(mol*s)'), - n = 0.597, - Ea = (0.436, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(1.409e+12,'cm^3/(mol*s)'), n=0.597, Ea=(0.436,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H4C2H_C2H2_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H4C2H_C2H2_highP""", longDesc = -u""" +""" Taken from entry: P2 + H <=> W4 """, ) @@ -2786,16 +2350,11 @@ index = 168, label = "C10H6-4 + H <=> C10H7-5", degeneracy = 2.0, - kinetics = Arrhenius( - A = (5.179e+12, 'cm^3/(mol*s)'), - n = 0.61, - Ea = (0.09, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(5.179e+12,'cm^3/(mol*s)'), n=0.61, Ea=(0.09,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H4C2H_C2H2_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H4C2H_C2H2_highP""", longDesc = -u""" +""" Taken from entry: P3 + H <=> W4 """, ) @@ -2804,16 +2363,11 @@ index = 169, label = "C10H6-5 + H <=> C10H7-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9.919e+13, 'cm^3/(mol*s)'), - n = 0.168, - Ea = (-0.002, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(9.919e+13,'cm^3/(mol*s)'), n=0.168, Ea=(-0.002,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H4C2H_C2H2_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H4C2H_C2H2_highP""", longDesc = -u""" +""" Taken from entry: P4 + H <=> W5 """, ) @@ -2822,16 +2376,11 @@ index = 170, label = "C10H6-6 + H <=> C10H7-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9.919e+13, 'cm^3/(mol*s)'), - n = 0.168, - Ea = (-0.002, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(9.919e+13,'cm^3/(mol*s)'), n=0.168, Ea=(-0.002,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H4C2H_C2H2_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H4C2H_C2H2_highP""", longDesc = -u""" +""" Taken from entry: P5 + H <=> W7 """, ) @@ -2840,11 +2389,11 @@ index = 171, label = "C6H9-11 <=> C5H6-2 + CH3", degeneracy = 1.0, - kinetics = Arrhenius(A=(9.89e+14, 's^-1'), n=0, Ea=(38.9, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(9.89e+14,'s^-1'), n=0, Ea=(38.9,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: 2015_Wang_K_C6H9""", + shortDesc = """Training reaction from kinetics library: 2015_Wang_K_C6H9""", longDesc = -u""" +""" Taken from entry: Well_5 <=> CH3 + CPD """, ) @@ -2853,11 +2402,11 @@ index = 172, label = "C10H9-9 <=> C10H8-6 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(1.817e+11, 's^-1'), n=0.838, Ea=(38.356, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(1.817e+11,'s^-1'), n=0.838, Ea=(38.356,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H5C2H2_C2H2_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H5C2H2_C2H2_highP""", longDesc = -u""" +""" Taken from entry: W3 <=> P4 + H """, ) @@ -2866,16 +2415,11 @@ index = 173, label = "C2H2 + C8H7-2 <=> C10H9-33", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1.081e+09, 'cm^3/(mol*s)'), - n = 1.21, - Ea = (6.756, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(1.081e+09,'cm^3/(mol*s)'), n=1.21, Ea=(6.756,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H5C2H2_C2H2_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H5C2H2_C2H2_highP""", longDesc = -u""" +""" Taken from entry: R2 + C2H2 <=> W3 """, ) @@ -2884,11 +2428,11 @@ index = 174, label = "C10H9-14 <=> C10H8-10 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(5.581e+10, 's^-1'), n=0.793, Ea=(14.523, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(5.581e+10,'s^-1'), n=0.793, Ea=(14.523,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H5C2H2_C2H2_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H5C2H2_C2H2_highP""", longDesc = -u""" +""" Taken from entry: W4 <=> P1 + H """, ) @@ -2897,11 +2441,11 @@ index = 175, label = "C8H7-3 <=> C8H6 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(3.323e+10, 's^-1'), n=1.103, Ea=(38.251, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(3.323e+10,'s^-1'), n=1.103, Ea=(38.251,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H5_C2H2_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H5_C2H2_highP""", longDesc = -u""" +""" Taken from entry: W1 <=> P1 + H """, ) @@ -2910,16 +2454,11 @@ index = 176, label = "C2H2 + C6H5 <=> C8H7-4", degeneracy = 2.0, - kinetics = Arrhenius( - A = (2.954e+07, 'cm^3/(mol*s)'), - n = 1.638, - Ea = (3.448, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(2.954e+07,'cm^3/(mol*s)'), n=1.638, Ea=(3.448,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H5_C2H2_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H5_C2H2_highP""", longDesc = -u""" +""" Taken from entry: R1 + C2H2 <=> W1 """, ) @@ -2928,16 +2467,11 @@ index = 177, label = "C6H6-2 + CH3 <=> C7H9-8", degeneracy = 6.0, - kinetics = Arrhenius( - A = (2195, 'cm^3/(mol*s)'), - n = 2.878, - Ea = (10.912, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(2195,'cm^3/(mol*s)'), n=2.878, Ea=(10.912,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: kislovB""", + shortDesc = """Training reaction from kinetics library: kislovB""", longDesc = -u""" +""" Taken from entry: benzene_1 + methyl_7 <=> C7H9_12 """, ) @@ -2946,11 +2480,11 @@ index = 178, label = "C7H9-9 <=> C7H8-5 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(4.217e+10, 's^-1'), n=0.87, Ea=(25.199, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(4.217e+10,'s^-1'), n=0.87, Ea=(25.199,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: kislovB""", + shortDesc = """Training reaction from kinetics library: kislovB""", longDesc = -u""" +""" Taken from entry: C7H9_12 <=> C7H8_17 + H_15 """, ) @@ -2959,16 +2493,11 @@ index = 179, label = "C2H2 + C7H7-3 <=> C9H9-5", degeneracy = 2.0, - kinetics = Arrhenius( - A = (31630, 'cm^3/(mol*s)'), - n = 2.479, - Ea = (11.061, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(31630,'cm^3/(mol*s)'), n=2.479, Ea=(11.061,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: kislovB""", + shortDesc = """Training reaction from kinetics library: kislovB""", longDesc = -u""" +""" Taken from entry: C7H7_10 + ethyne_8 <=> C9H9_13 """, ) @@ -2977,11 +2506,11 @@ index = 180, label = "C9H9-9 <=> C9H8-7 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(3.597e+10, 's^-1'), n=0.889, Ea=(20.893, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(3.597e+10,'s^-1'), n=0.889, Ea=(20.893,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: kislovB""", + shortDesc = """Training reaction from kinetics library: kislovB""", longDesc = -u""" +""" Taken from entry: C9H9_14 <=> indene_25 + H_15 """, ) @@ -2990,16 +2519,11 @@ index = 181, label = "C6H6-2 + C3H3 <=> C9H9-19", degeneracy = 6.0, - kinetics = Arrhenius( - A = (144.6, 'cm^3/(mol*s)'), - n = 2.951, - Ea = (14.055, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(144.6,'cm^3/(mol*s)'), n=2.951, Ea=(14.055,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: kislovB""", + shortDesc = """Training reaction from kinetics library: kislovB""", longDesc = -u""" +""" Taken from entry: benzene_1 + C3H3_9 <=> C9H9_2 """, ) @@ -3008,16 +2532,11 @@ index = 182, label = "C6H6-2 + C3H3-2 <=> C9H9-20", degeneracy = 6.0, - kinetics = Arrhenius( - A = (312.3, 'cm^3/(mol*s)'), - n = 2.973, - Ea = (16.396, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(312.3,'cm^3/(mol*s)'), n=2.973, Ea=(16.396,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: kislovB""", + shortDesc = """Training reaction from kinetics library: kislovB""", longDesc = -u""" +""" Taken from entry: benzene_1 + C3H3_9 <=> C9H9_6 """, ) @@ -3026,11 +2545,11 @@ index = 183, label = "C9H9-6 <=> C9H8-4 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(4.591e+10, 's^-1'), n=0.886, Ea=(24.975, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(4.591e+10,'s^-1'), n=0.886, Ea=(24.975,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: kislovB""", + shortDesc = """Training reaction from kinetics library: kislovB""", longDesc = -u""" +""" Taken from entry: C9H9_5 <=> indene_25 + H_15 """, ) @@ -3039,18 +2558,11 @@ index = 184, label = "SO2 + H <=> HOSO", degeneracy = 2.0, - kinetics = Arrhenius( - A = (2.37e+08, 'cm^3/(mol*s)'), - n = 1.63, - Ea = (7339, 'cal/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1700, 'K'), - ), + kinetics = Arrhenius(A=(2.37e+08,'cm^3/(mol*s)'), n=1.63, Ea=(7339,'cal/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1700,'K')), rank = 1, - shortDesc = u"""Training reaction from kinetics library: primarySulfurLibrary""", + shortDesc = """Training reaction from kinetics library: primarySulfurLibrary""", longDesc = -u""" +""" M.A. Blitz, K.J. Hughes, M.J. Pilling, S.H. Robertson, J. Phys. Chem. A, 2006, 110(9), 2996-3009, doi: 10.1021/jp054722u As reported by Gimenez-Lopez, M. Martinez, A. Millera, R. Bilbao, M.U. Alzueta, Comb. Flame 2011, 158(1), 48-56, doi: 10.1016/j.combustflame.2010.07.017 @@ -3066,18 +2578,11 @@ index = 185, label = "N2 + H <=> NNH", degeneracy = 2.0, - kinetics = Arrhenius( - A = (7.6e+15, 'cm^3/(mol*s)'), - n = -0.64, - Ea = (15333, 'cal/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (25000, 'K'), - ), + kinetics = Arrhenius(A=(7.6e+15,'cm^3/(mol*s)'), n=-0.64, Ea=(15333,'cal/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(25000,'K')), rank = 4, - shortDesc = u"""Training reaction from kinetics library: primaryNitrogenLibrary""", + shortDesc = """Training reaction from kinetics library: primaryNitrogenLibrary""", longDesc = -u""" +""" P.J.S.B. Caridade, S.P.J. Rodrigues, F. Sousa, A.J.C. Varandas, J. Phys. Chem. A ,2005, 109, 2356-2363, doi: 10.1021/jp045102g Fits to a total of 972 MRCI energies (based on the aug-cc-pVQZ basis set of Dunning27), scaled by the DMBE-SEC method to account for excitations higher than singles and doubles and the incompleteness of the one-electron basis set. @@ -3090,12 +2595,7 @@ index = 186, label = "H + C2H2O-2 <=> C2H3O", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3.82e-16, 'cm^3/(molecule*s)'), - n = 1.61, - Ea = (10992, 'J/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(3.82e-16,'cm^3/(molecule*s)'), n=1.61, Ea=(10992,'J/mol'), T0=(1,'K')), reference = Article( authors = ['Senosiain, J. P.', 'Klippenstein, S. J.', 'Miller, J. A.'], title = 'Pathways and Rate Coefficients for the Decomposition of Vinoxy and Acetyl Radicals', @@ -3107,7 +2607,7 @@ referenceType = "theory", rank = 5, longDesc = -u""" +""" RQCISD(T)/cc-pVinfZ //UQCISD/UB3LYP """, ) @@ -3116,12 +2616,7 @@ index = 187, label = "H + C2H2O <=> C2H3O-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3.3e-15, 'cm^3/(molecule*s)'), - n = 1.43, - Ea = (25318, 'J/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(3.3e-15,'cm^3/(molecule*s)'), n=1.43, Ea=(25318,'J/mol'), T0=(1,'K')), reference = Article( authors = ['Senosiain, J. P.', 'Klippenstein, S. J.', 'Miller, J. A.'], title = 'Pathways and Rate Coefficients for the Decomposition of Vinoxy and Acetyl Radicals', @@ -3133,7 +2628,7 @@ referenceType = "theory", rank = 5, longDesc = -u""" +""" RQCISD(T)/cc-pVinfZ //UQCISD/UB3LYP """, ) @@ -3142,7 +2637,7 @@ index = 188, label = "C2H3O-3 <=> C2H2O-3 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(1.43e+15, 's^-1'), n=-0.15, Ea=(190834, 'J/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(1.43e+15,'s^-1'), n=-0.15, Ea=(190834,'J/mol'), T0=(1,'K')), reference = Article( authors = ['Senosiain, J. P.', 'Klippenstein, S. J.', 'Miller, J. A.'], title = 'Pathways and Rate Coefficients for the Decomposition of Vinoxy and Acetyl Radicals', @@ -3154,7 +2649,7 @@ referenceType = "theory", rank = 5, longDesc = -u""" +""" RQCISD(T)/cc-pVinfZ //UQCISD/UB3LYP """, ) @@ -3163,12 +2658,7 @@ index = 189, label = "H + C4H2 <=> C4H3", degeneracy = 2.0, - kinetics = Arrhenius( - A = (7.16e-14, 'cm^3/(molecule*s)'), - n = 1.119, - Ea = (1.672, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(7.16e-14,'cm^3/(molecule*s)'), n=1.119, Ea=(1.672,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['Klippenstein, S. J.', 'Miller, J. A.'], title = 'The Addition of Hydrogen Atoms to Diacetylene and the Heats of Formation of i-C4H3 and n-C4H3', @@ -3180,7 +2670,7 @@ referenceType = "theory", rank = 5, longDesc = -u""" +""" The restricted QCISD(T)/inf barrier heights//B3LYP/6-311++G(d,p) These QCISD(T) calculations employed the correlation-consistent, polarized-valence, triple- (cc-pvtz) and quadruple- (cc-pvqz) basis sets and were extrapolated to the infinite basis-set limit via the expression """, @@ -3190,12 +2680,7 @@ index = 190, label = "H + C4H2-2 <=> C4H3-2", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1.35e-14, 'cm^3/(molecule*s)'), - n = 1.305, - Ea = (5.018, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(1.35e-14,'cm^3/(molecule*s)'), n=1.305, Ea=(5.018,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['Klippenstein, S. J.', 'Miller, J. A.'], title = 'The Addition of Hydrogen Atoms to Diacetylene and the Heats of Formation of i-C4H3 and n-C4H3', @@ -3207,7 +2692,7 @@ referenceType = "theory", rank = 5, longDesc = -u""" +""" The restricted QCISD(T)/ barrier heights//B3LYP/6-311++G(d,p) These QCISD(T) calculations employed the correlation-consistent, polarized-valence, triple- (cc-pvtz) and quadruple- (cc-pvqz) basis sets and were extrapolated to the infinite basis-set limit via the expression """, @@ -3217,12 +2702,7 @@ index = 191, label = "C4H4-5 + H <=> C4H5-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.802e+09, 'cm^3/(mol*s)'), - n = 1.467, - Ea = (0.65, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(1.802e+09,'cm^3/(mol*s)'), n=1.467, Ea=(0.65,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['Ribeiro, J. M.', 'Mebel, A. M.'], title = 'Reaction mechanism and product branching ratios of the CH + C3H4 reactions: a theoretical study', @@ -3234,7 +2714,7 @@ referenceType = "theory", rank = 4, longDesc = -u""" +""" CCSD(T)-F12/CBS//B2PLYPD3/cc-pVTZ """, ) @@ -3243,12 +2723,7 @@ index = 192, label = "C4H4-6 + H <=> C4H5-4", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1.644e+09, 'cm^3/(mol*s)'), - n = 1.533, - Ea = (1.858, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(1.644e+09,'cm^3/(mol*s)'), n=1.533, Ea=(1.858,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['Ribeiro, J. M.', 'Mebel, A. M.'], title = 'Reaction mechanism and product branching ratios of the CH + C3H4 reactions: a theoretical study', @@ -3260,7 +2735,7 @@ referenceType = "theory", rank = 4, longDesc = -u""" +""" CCSD(T)-F12/CBS//B2PLYPD3/cc-pVTZ """, ) @@ -3269,12 +2744,7 @@ index = 193, label = "C4H4-7 + H <=> C4H5-5", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1.246e+09, 'cm^3/(mol*s)'), - n = 1.429, - Ea = (3.987, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(1.246e+09,'cm^3/(mol*s)'), n=1.429, Ea=(3.987,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['Ribeiro, J. M.', 'Mebel, A. M.'], title = 'Reaction mechanism and product branching ratios of the CH + C3H4 reactions: a theoretical study', @@ -3286,7 +2756,7 @@ referenceType = "theory", rank = 4, longDesc = -u""" +""" CCSD(T)-F12/CBS//B2PLYPD3/cc-pVTZ """, ) @@ -3295,12 +2765,7 @@ index = 194, label = "C4H4-3 + H <=> C4H5-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2.156e+09, 'cm^3/(mol*s)'), - n = 1.502, - Ea = (2.371, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(2.156e+09,'cm^3/(mol*s)'), n=1.502, Ea=(2.371,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['Ribeiro, J. M.', 'Mebel, A. M.'], title = 'Reaction mechanism and product branching ratios of the CH + C3H4 reactions: a theoretical study', @@ -3312,7 +2777,7 @@ referenceType = "theory", rank = 4, longDesc = -u""" +""" CCSD(T)-F12/CBS//B2PLYPD3/cc-pVTZ """, ) @@ -3321,12 +2786,7 @@ index = 195, label = "C4H4-2 + H <=> C4H5-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2.642e+08, 'cm^3/(mol*s)'), - n = 1.548, - Ea = (4.546, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(2.642e+08,'cm^3/(mol*s)'), n=1.548, Ea=(4.546,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['Ribeiro, J. M.', 'Mebel, A. M.'], title = 'Reaction mechanism and product branching ratios of the CH + C3H4 reactions: a theoretical study', @@ -3338,7 +2798,7 @@ referenceType = "theory", rank = 4, longDesc = -u""" +""" CCSD(T)-F12/CBS//B2PLYPD3/cc-pVTZ """, ) @@ -3347,12 +2807,7 @@ index = 196, label = "C2H2 + C2H3 <=> C4H5-8", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1.168e+07, 'cm^3/(mol*s)'), - n = 1.997, - Ea = (5.452, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(1.168e+07,'cm^3/(mol*s)'), n=1.997, Ea=(5.452,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['Ribeiro, J. M.', 'Mebel, A. M.'], title = 'Reaction mechanism and product branching ratios of the CH + C3H4 reactions: a theoretical study', @@ -3364,7 +2819,7 @@ referenceType = "theory", rank = 4, longDesc = -u""" +""" CCSD(T)-F12/CBS//B2PLYPD3/cc-pVTZ """, ) @@ -3373,12 +2828,7 @@ index = 197, label = "C4H4 + H <=> C4H5-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.163e+09, 'cm^3/(mol*s)'), - n = 1.493, - Ea = (1.378, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(1.163e+09,'cm^3/(mol*s)'), n=1.493, Ea=(1.378,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['Ribeiro, J. M.', 'Mebel, A. M.'], title = 'Reaction mechanism and product branching ratios of the CH + C3H4 reactions: a theoretical study', @@ -3390,7 +2840,7 @@ referenceType = "theory", rank = 4, longDesc = -u""" +""" CCSD(T)-F12/CBS//B2PLYPD3/cc-pVTZ """, ) @@ -3399,12 +2849,7 @@ index = 198, label = "C4H4-8 + H <=> C4H5-10", degeneracy = 2.0, - kinetics = Arrhenius( - A = (3.466e+09, 'cm^3/(mol*s)'), - n = 1.473, - Ea = (1.273, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(3.466e+09,'cm^3/(mol*s)'), n=1.473, Ea=(1.273,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['Ribeiro, J. M.', 'Mebel, A. M.'], title = 'Reaction mechanism and product branching ratios of the CH + C3H4 reactions: a theoretical study', @@ -3416,7 +2861,7 @@ referenceType = "theory", rank = 4, longDesc = -u""" +""" CCSD(T)-F12/CBS//B2PLYPD3/cc-pVTZ """, ) @@ -3425,12 +2870,7 @@ index = 199, label = "C4H4-4 + H <=> C4H5-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.726e+08, 'cm^3/(mol*s)'), - n = 1.617, - Ea = (4.056, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(1.726e+08,'cm^3/(mol*s)'), n=1.617, Ea=(4.056,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['Ribeiro, J. M.', 'Mebel, A. M.'], title = 'Reaction mechanism and product branching ratios of the CH + C3H4 reactions: a theoretical study', @@ -3442,7 +2882,7 @@ referenceType = "theory", rank = 4, longDesc = -u""" +""" CCSD(T)-F12/CBS//B2PLYPD3/cc-pVTZ """, ) @@ -3451,7 +2891,7 @@ index = 200, label = "C4H5-3 <=> C4H4-5 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(5.385e+09, 's^-1'), n=1.347, Ea=(37.909, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(5.385e+09,'s^-1'), n=1.347, Ea=(37.909,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['Ribeiro, J. M.', 'Mebel, A. M.'], title = 'Reaction mechanism and product branching ratios of the CH + C3H4 reactions: a theoretical study', @@ -3463,7 +2903,7 @@ referenceType = "theory", rank = 4, longDesc = -u""" +""" CCSD(T)-F12/CBS//B2PLYPD3/cc-pVTZ """, ) @@ -3472,7 +2912,7 @@ index = 201, label = "C4H5-4 <=> C4H4-6 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(4.905e+11, 's^-1'), n=0.877, Ea=(54.203, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(4.905e+11,'s^-1'), n=0.877, Ea=(54.203,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['Ribeiro, J. M.', 'Mebel, A. M.'], title = 'Reaction mechanism and product branching ratios of the CH + C3H4 reactions: a theoretical study', @@ -3484,7 +2924,7 @@ referenceType = "theory", rank = 4, longDesc = -u""" +""" CCSD(T)-F12/CBS//B2PLYPD3/cc-pVTZ """, ) @@ -3493,7 +2933,7 @@ index = 202, label = "C4H5-5 <=> C4H4-7 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(2.575e+11, 's^-1'), n=0.753, Ea=(57.151, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(2.575e+11,'s^-1'), n=0.753, Ea=(57.151,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['Ribeiro, J. M.', 'Mebel, A. M.'], title = 'Reaction mechanism and product branching ratios of the CH + C3H4 reactions: a theoretical study', @@ -3505,7 +2945,7 @@ referenceType = "theory", rank = 4, longDesc = -u""" +""" CCSD(T)-F12/CBS//B2PLYPD3/cc-pVTZ """, ) @@ -3514,7 +2954,7 @@ index = 203, label = "C4H5-6 <=> C4H4-3 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(1.976e+12, 's^-1'), n=0.79, Ea=(47.629, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(1.976e+12,'s^-1'), n=0.79, Ea=(47.629,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['Ribeiro, J. M.', 'Mebel, A. M.'], title = 'Reaction mechanism and product branching ratios of the CH + C3H4 reactions: a theoretical study', @@ -3526,7 +2966,7 @@ referenceType = "theory", rank = 4, longDesc = -u""" +""" CCSD(T)-F12/CBS//B2PLYPD3/cc-pVTZ """, ) @@ -3535,7 +2975,7 @@ index = 204, label = "C4H5-7 <=> C4H4-2 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(5.502e+09, 's^-1'), n=1.257, Ea=(39.226, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(5.502e+09,'s^-1'), n=1.257, Ea=(39.226,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['Ribeiro, J. M.', 'Mebel, A. M.'], title = 'Reaction mechanism and product branching ratios of the CH + C3H4 reactions: a theoretical study', @@ -3547,7 +2987,7 @@ referenceType = "theory", rank = 4, longDesc = -u""" +""" CCSD(T)-F12/CBS//B2PLYPD3/cc-pVTZ """, ) @@ -3556,7 +2996,7 @@ index = 205, label = "C4H5-8 <=> C2H2 + C2H3", degeneracy = 1.0, - kinetics = Arrhenius(A=(1.898e+14, 's^-1'), n=0.366, Ea=(45.569, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(1.898e+14,'s^-1'), n=0.366, Ea=(45.569,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['Ribeiro, J. M.', 'Mebel, A. M.'], title = 'Reaction mechanism and product branching ratios of the CH + C3H4 reactions: a theoretical study', @@ -3568,7 +3008,7 @@ referenceType = "theory", rank = 4, longDesc = -u""" +""" CCSD(T)-F12/CBS//B2PLYPD3/cc-pVTZ """, ) @@ -3577,7 +3017,7 @@ index = 206, label = "C4H5-9 <=> C4H4 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(7.345e+09, 's^-1'), n=1.312, Ea=(45.774, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(7.345e+09,'s^-1'), n=1.312, Ea=(45.774,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['Ribeiro, J. M.', 'Mebel, A. M.'], title = 'Reaction mechanism and product branching ratios of the CH + C3H4 reactions: a theoretical study', @@ -3589,7 +3029,7 @@ referenceType = "theory", rank = 4, longDesc = -u""" +""" CCSD(T)-F12/CBS//B2PLYPD3/cc-pVTZ """, ) @@ -3598,7 +3038,7 @@ index = 207, label = "C4H5-10 <=> C4H4-8 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(2.727e+09, 's^-1'), n=1.411, Ea=(56.058, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(2.727e+09,'s^-1'), n=1.411, Ea=(56.058,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['Ribeiro, J. M.', 'Mebel, A. M.'], title = 'Reaction mechanism and product branching ratios of the CH + C3H4 reactions: a theoretical study', @@ -3610,7 +3050,7 @@ referenceType = "theory", rank = 4, longDesc = -u""" +""" CCSD(T)-F12/CBS//B2PLYPD3/cc-pVTZ """, ) @@ -3619,7 +3059,7 @@ index = 208, label = "C4H5-11 <=> C4H4-4 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(1.246e+09, 's^-1'), n=1.319, Ea=(35.573, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(1.246e+09,'s^-1'), n=1.319, Ea=(35.573,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['Ribeiro, J. M.', 'Mebel, A. M.'], title = 'Reaction mechanism and product branching ratios of the CH + C3H4 reactions: a theoretical study', @@ -3631,7 +3071,7 @@ referenceType = "theory", rank = 4, longDesc = -u""" +""" CCSD(T)-F12/CBS//B2PLYPD3/cc-pVTZ """, ) @@ -3640,7 +3080,7 @@ index = 209, label = "C3H5O-2 <=> C2H2O-2 + CH3", degeneracy = 1.0, - kinetics = Arrhenius(A=(2.977e+09, 's^-1'), n=1.37, Ea=(41.408, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(2.977e+09,'s^-1'), n=1.37, Ea=(41.408,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['Zador, J.', 'Miller, J. A.'], title = 'Adventures on the C3H5O potential energy surface: OH + propyne, OH + allene and related reactions', @@ -3652,7 +3092,7 @@ referenceType = "theory", rank = 4, longDesc = -u""" +""" UCCSD(T)-F12b/cc-pVQZ-F12//M06-2X/6-311++G(d,p) """, ) @@ -3661,7 +3101,7 @@ index = 210, label = "C3H5O-3 <=> C2H2O + CH3", degeneracy = 1.0, - kinetics = Arrhenius(A=(2.022e+12, 's^-1'), n=0.577, Ea=(41.055, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(2.022e+12,'s^-1'), n=0.577, Ea=(41.055,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['Zador, J.', 'Miller, J. A.'], title = 'Adventures on the C3H5O potential energy surface: OH + propyne, OH + allene and related reactions', @@ -3673,7 +3113,7 @@ referenceType = "theory", rank = 4, longDesc = -u""" +""" UCCSD(T)-F12b/cc-pVQZ-F12//M06-2X/6-311++G(d,p) """, ) @@ -3682,12 +3122,7 @@ index = 211, label = "C3H4-2 + OH <=> C3H5O-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6.508e+07, 'cm^3/(mol*s)'), - n = 1.628, - Ea = (-0.462, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(6.508e+07,'cm^3/(mol*s)'), n=1.628, Ea=(-0.462,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['Zador, J.', 'Miller, J. A.'], title = 'Adventures on the C3H5O potential energy surface: OH + propyne, OH + allene and related reactions', @@ -3699,7 +3134,7 @@ referenceType = "theory", rank = 4, longDesc = -u""" +""" UCCSD(T)-F12b/cc-pVQZ-F12//M06-2X/6-311++G(d,p) """, ) @@ -3708,12 +3143,7 @@ index = 212, label = "C3H4-4 + OH <=> C3H5O-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3.148e+06, 'cm^3/(mol*s)'), - n = 1.876, - Ea = (-0.423, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(3.148e+06,'cm^3/(mol*s)'), n=1.876, Ea=(-0.423,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['Zador, J.', 'Miller, J. A.'], title = 'Adventures on the C3H5O potential energy surface: OH + propyne, OH + allene and related reactions', @@ -3725,7 +3155,7 @@ referenceType = "theory", rank = 4, longDesc = -u""" +""" UCCSD(T)-F12b/cc-pVQZ-F12//M06-2X/6-311++G(d,p) """, ) @@ -3734,12 +3164,7 @@ index = 213, label = "C3H4-3 + OH <=> C3H5O-6", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1.973e+06, 'cm^3/(mol*s)'), - n = 2.037, - Ea = (-1.433, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(1.973e+06,'cm^3/(mol*s)'), n=2.037, Ea=(-1.433,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['Zador, J.', 'Miller, J. A.'], title = 'Adventures on the C3H5O potential energy surface: OH + propyne, OH + allene and related reactions', @@ -3751,7 +3176,7 @@ referenceType = "theory", rank = 4, longDesc = -u""" +""" UCCSD(T)-F12b/cc-pVQZ-F12//M06-2X/6-311++G(d,p) """, ) @@ -3760,12 +3185,7 @@ index = 214, label = "C3H4 + OH <=> C3H5O-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (41610, 'cm^3/(mol*s)'), - n = 2.487, - Ea = (-1.81, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(41610,'cm^3/(mol*s)'), n=2.487, Ea=(-1.81,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['Zador, J.', 'Miller, J. A.'], title = 'Adventures on the C3H5O potential energy surface: OH + propyne, OH + allene and related reactions', @@ -3777,7 +3197,7 @@ referenceType = "theory", rank = 4, longDesc = -u""" +""" UCCSD(T)-F12b/cc-pVQZ-F12//M06-2X/6-311++G(d,p) """, ) @@ -3786,7 +3206,7 @@ index = 215, label = "C7H7-4 <=> C7H6-2 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(4.06e+10, 's^-1'), n=1.16, Ea=(26.18, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(4.06e+10,'s^-1'), n=1.16, Ea=(26.18,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['da Silva, G.', 'Cole, J. A.', 'Bozzelli, J. W.'], title = 'Kinetics of the Cyclopentadienyl + Acetylene, Fulvenallene + H, and 1-Ethynylcyclopentadiene + H Reactions', @@ -3798,7 +3218,7 @@ referenceType = "theory", rank = 4, longDesc = -u""" +""" G3SX//B3LYP/6-31G(2df,p) """, ) @@ -3807,7 +3227,7 @@ index = 216, label = "C7H7-5 <=> C7H6-3 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(1.02e+13, 's^-1'), n=0.34, Ea=(46.7, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(1.02e+13,'s^-1'), n=0.34, Ea=(46.7,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['da Silva, G.', 'Cole, J. A.', 'Bozzelli, J. W.'], title = 'Kinetics of the Cyclopentadienyl + Acetylene, Fulvenallene + H, and 1-Ethynylcyclopentadiene + H Reactions', @@ -3819,7 +3239,7 @@ referenceType = "theory", rank = 4, longDesc = -u""" +""" G3SX//B3LYP/6-31G(2df,p) """, ) @@ -3828,12 +3248,7 @@ index = 217, label = "C7H8-14 + H <=> C7H9-28", degeneracy = 2.0, - kinetics = Arrhenius( - A = (5.726e+07, 'cm^3/(mol*s)'), - n = 1.725, - Ea = (2.395, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(5.726e+07,'cm^3/(mol*s)'), n=1.725, Ea=(2.395,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['Bao, J. L.', 'Zheng, J.', 'Truhlar, D. G.'], title = 'Kinetics of Hydrogen Radical Reactions with Toluene Including Chemical Activation Theory Employing System-Specific Quantum RRK Theory Calibrated by Variational Transition State Theory', @@ -3845,7 +3260,7 @@ referenceType = "theory", rank = 5, longDesc = -u""" +""" System-specific (SS) QRRK approach is adjusted with SS parameters to agree with multistructural canonical variational transition state theory with multidimensional tunneling (MS-CVT/SCT) at the high-pressure limit. The MPW1K/MG3S level of theory """, ) @@ -3854,12 +3269,7 @@ index = 218, label = "C7H8-15 + H <=> C7H9-29", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1.757e+07, 'cm^3/(mol*s)'), - n = 1.859, - Ea = (2.679, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(1.757e+07,'cm^3/(mol*s)'), n=1.859, Ea=(2.679,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['Bao, J. L.', 'Zheng, J.', 'Truhlar, D. G.'], title = 'Kinetics of Hydrogen Radical Reactions with Toluene Including Chemical Activation Theory Employing System-Specific Quantum RRK Theory Calibrated by Variational Transition State Theory', @@ -3871,7 +3281,7 @@ referenceType = "theory", rank = 5, longDesc = -u""" +""" System-specific (SS) QRRK approach is adjusted with SS parameters to agree with multistructural canonical variational transition state theory with multidimensional tunneling (MS-CVT/SCT) at the high-pressure limit. The MPW1K/MG3S level of theory """, ) @@ -3880,18 +3290,11 @@ index = 219, label = "CH3 + C2H4 <=> C3H7", degeneracy = 2.0, - kinetics = Arrhenius( - A = (41800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (23.5559, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(41800,'cm^3/(mol*s)'), n=2.41, Ea=(23.5559,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-HH;CsJ-HHH """, ) @@ -3900,18 +3303,11 @@ index = 220, label = "C2H4 + C2H5 <=> C4H9-2", degeneracy = 2.0, - kinetics = Arrhenius( - A = (4240, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (21.171, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4240,'cm^3/(mol*s)'), n=2.41, Ea=(21.171,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-HH;CsJ-CsHH """, ) @@ -3920,18 +3316,11 @@ index = 221, label = "C2H4 + C3H7-2 <=> C5H11", degeneracy = 2.0, - kinetics = Arrhenius( - A = (3400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (16.1921, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3400,'cm^3/(mol*s)'), n=2.41, Ea=(16.1921,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-HH;CsJ-CsCsH """, ) @@ -3940,18 +3329,11 @@ index = 222, label = "C2H4 + C4H9 <=> C6H13", degeneracy = 2.0, - kinetics = Arrhenius( - A = (2520, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (10.2508, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2520,'cm^3/(mol*s)'), n=2.41, Ea=(10.2508,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-HH;CsJ-CsCsCs """, ) @@ -3960,18 +3342,11 @@ index = 223, label = "allyl + C2H4 <=> pent1en5yl", degeneracy = 4.0, - kinetics = Arrhenius( - A = (88400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (49.8733, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(88400,'cm^3/(mol*s)'), n=2.41, Ea=(49.8733,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-HH;CsJ-CdHH """, ) @@ -3980,18 +3355,11 @@ index = 224, label = "C4H7-2 + C2H4 <=> C6H11-2", degeneracy = 2.0, - kinetics = Arrhenius( - A = (7680, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (48.8691, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7680,'cm^3/(mol*s)'), n=2.41, Ea=(48.8691,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-HH;CsJ-CdCsH """, ) @@ -4000,18 +3368,11 @@ index = 225, label = "C5H9 + C2H4 <=> C7H13-2", degeneracy = 2.0, - kinetics = Arrhenius( - A = (994, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (44.8106, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(994,'cm^3/(mol*s)'), n=2.41, Ea=(44.8106,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-HH;CsJ-CdCsCs """, ) @@ -4020,18 +3381,11 @@ index = 226, label = "C5H7-3 + C2H4 <=> C7H11-6", degeneracy = 2.0, - kinetics = Arrhenius( - A = (15500, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (68.8686, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(15500,'cm^3/(mol*s)'), n=2.41, Ea=(68.8686,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-HH;CsJ-CdCdH """, ) @@ -4040,18 +3394,11 @@ index = 227, label = "C6H9-12 + C2H4 <=> C8H13", degeneracy = 2.0, - kinetics = Arrhenius( - A = (5300, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (68.1155, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5300,'cm^3/(mol*s)'), n=2.41, Ea=(68.1155,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-HH;CsJ-CdCdCs """, ) @@ -4060,18 +3407,11 @@ index = 228, label = "C2H4 + C7H7-3 <=> C9H11-3", degeneracy = 2.0, - kinetics = Arrhenius( - A = (20400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (40.1246, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(20400,'cm^3/(mol*s)'), n=2.41, Ea=(40.1246,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-HH;CsJ-CbHH """, ) @@ -4080,18 +3420,11 @@ index = 229, label = "C2H4 + C8H9 <=> C10H13", degeneracy = 2.0, - kinetics = Arrhenius( - A = (5040, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (37.2376, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5040,'cm^3/(mol*s)'), n=2.41, Ea=(37.2376,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-HH;CsJ-CbCsH """, ) @@ -4100,18 +3433,11 @@ index = 230, label = "C2H4 + C9H11-15 <=> C11H15", degeneracy = 2.0, - kinetics = Arrhenius( - A = (806, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (34.9782, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(806,'cm^3/(mol*s)'), n=2.41, Ea=(34.9782,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-HH;CsJ-CbCsCs """, ) @@ -4120,18 +3446,11 @@ index = 231, label = "C3H3 + C2H4 <=> C5H7-4", degeneracy = 2.0, - kinetics = Arrhenius( - A = (18920, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (39.1204, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(18920,'cm^3/(mol*s)'), n=2.41, Ea=(39.1204,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-HH;CsJ-CtHH """, ) @@ -4140,18 +3459,11 @@ index = 232, label = "C4H5-12 + C2H4 <=> C6H9-13", degeneracy = 2.0, - kinetics = Arrhenius( - A = (4260, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (37.1539, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4260,'cm^3/(mol*s)'), n=2.41, Ea=(37.1539,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-HH;CsJ-CtCsH """, ) @@ -4160,18 +3472,11 @@ index = 233, label = "C5H7-5 + C2H4 <=> C7H11-7", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1088, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (34.3088, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1088,'cm^3/(mol*s)'), n=2.41, Ea=(34.3088,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-HH;CsJ-CtCsCs """, ) @@ -4180,18 +3485,11 @@ index = 234, label = "C2H3 + C2H4 <=> C4H7-3", degeneracy = 2.0, - kinetics = Arrhenius( - A = (28600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (7.5312, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(28600,'cm^3/(mol*s)'), n=2.41, Ea=(7.5312,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-HH;CdsJ-H """, ) @@ -4200,18 +3498,11 @@ index = 235, label = "C3H5 + C2H4 <=> C5H9-2", degeneracy = 2.0, - kinetics = Arrhenius( - A = (15180, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (6.65256, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(15180,'cm^3/(mol*s)'), n=2.41, Ea=(6.65256,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-HH;CdsJ-Cs """, ) @@ -4220,18 +3511,11 @@ index = 236, label = "C2H4 + C6H5 <=> C8H9-2", degeneracy = 2.0, - kinetics = Arrhenius( - A = (45200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-2.46856, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(45200,'cm^3/(mol*s)'), n=2.41, Ea=(-2.46856,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-HH;CbJ """, ) @@ -4240,18 +3524,11 @@ index = 237, label = "CH3 + propene_1 <=> C4H9-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (21000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (22.2589, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(21000,'cm^3/(mol*s)'), n=2.41, Ea=(22.2589,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CsH;CsJ-HHH """, ) @@ -4260,18 +3537,11 @@ index = 238, label = "propene_1 + C2H5 <=> C5H11-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2130, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (19.874, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2130,'cm^3/(mol*s)'), n=2.41, Ea=(19.874,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CsH;CsJ-CsHH """, ) @@ -4280,18 +3550,11 @@ index = 239, label = "propene_1 + C3H7-2 <=> C6H13-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1710, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (14.8532, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1710,'cm^3/(mol*s)'), n=2.41, Ea=(14.8532,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CsH;CsJ-CsCsH """, ) @@ -4300,18 +3563,11 @@ index = 240, label = "propene_1 + C4H9 <=> C7H15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1270, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (8.95376, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1270,'cm^3/(mol*s)'), n=2.41, Ea=(8.95376,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CsH;CsJ-CsCsCs """, ) @@ -4320,18 +3576,11 @@ index = 241, label = "allyl + propene_1 <=> hex1en5yl", degeneracy = 2.0, - kinetics = Arrhenius( - A = (44400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (48.5762, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(44400,'cm^3/(mol*s)'), n=2.41, Ea=(48.5762,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CsH;CsJ-CdHH """, ) @@ -4340,18 +3589,11 @@ index = 242, label = "C4H7-2 + propene_1 <=> C7H13-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3860, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (47.5721, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3860,'cm^3/(mol*s)'), n=2.41, Ea=(47.5721,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CsH;CsJ-CdCsH """, ) @@ -4360,18 +3602,11 @@ index = 243, label = "C5H9 + propene_1 <=> C8H15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (499, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.4718, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(499,'cm^3/(mol*s)'), n=2.41, Ea=(43.4718,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CsH;CsJ-CdCsCs """, ) @@ -4380,18 +3615,11 @@ index = 244, label = "C5H7-3 + propene_1 <=> C8H13-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7780, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (67.5716, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7780,'cm^3/(mol*s)'), n=2.41, Ea=(67.5716,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CsH;CsJ-CdCdH """, ) @@ -4400,18 +3628,11 @@ index = 245, label = "C6H9-12 + propene_1 <=> C9H15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2660, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (66.8185, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2660,'cm^3/(mol*s)'), n=2.41, Ea=(66.8185,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CsH;CsJ-CdCdCs """, ) @@ -4420,18 +3641,11 @@ index = 246, label = "propene_1 + C7H7-3 <=> C10H13-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (10300, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (38.8275, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(10300,'cm^3/(mol*s)'), n=2.41, Ea=(38.8275,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CsH;CsJ-CbHH """, ) @@ -4440,18 +3654,11 @@ index = 247, label = "propene_1 + C8H9 <=> C11H15-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2530, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (35.8987, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2530,'cm^3/(mol*s)'), n=2.41, Ea=(35.8987,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CsH;CsJ-CbCsH """, ) @@ -4460,18 +3667,11 @@ index = 248, label = "propene_1 + C9H11-15 <=> C12H17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (404, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (33.6812, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(404,'cm^3/(mol*s)'), n=2.41, Ea=(33.6812,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CsH;CsJ-CbCsCs """, ) @@ -4480,18 +3680,11 @@ index = 249, label = "C3H3 + propene_1 <=> C6H9-14", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9500, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (37.7815, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9500,'cm^3/(mol*s)'), n=2.41, Ea=(37.7815,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CsH;CsJ-CtHH """, ) @@ -4500,18 +3693,11 @@ index = 250, label = "C4H5-12 + propene_1 <=> C7H11-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2140, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (35.8569, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2140,'cm^3/(mol*s)'), n=2.41, Ea=(35.8569,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CsH;CsJ-CtCsH """, ) @@ -4520,18 +3706,11 @@ index = 251, label = "C5H7-5 + propene_1 <=> C8H13-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (546, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (33.0118, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(546,'cm^3/(mol*s)'), n=2.41, Ea=(33.0118,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CsH;CsJ-CtCsCs """, ) @@ -4540,18 +3719,11 @@ index = 252, label = "C2H3 + propene_1 <=> C5H9-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (14400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (6.23416, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(14400,'cm^3/(mol*s)'), n=2.41, Ea=(6.23416,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CsH;CdsJ-H """, ) @@ -4560,18 +3732,11 @@ index = 253, label = "C3H5 + propene_1 <=> C6H11-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7620, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (5.31368, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7620,'cm^3/(mol*s)'), n=2.41, Ea=(5.31368,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CsH;CdsJ-Cs """, ) @@ -4580,18 +3745,11 @@ index = 254, label = "propene_1 + C6H5 <=> C9H11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (22700, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-3.7656, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(22700,'cm^3/(mol*s)'), n=2.41, Ea=(-3.7656,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CsH;CbJ """, ) @@ -4600,18 +3758,11 @@ index = 255, label = "CH3 + C4H8 <=> C5H11-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (26400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (20.6271, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(26400,'cm^3/(mol*s)'), n=2.41, Ea=(20.6271,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CsCs;CsJ-HHH """, ) @@ -4620,18 +3771,11 @@ index = 256, label = "C4H8 + C2H5 <=> C6H13-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2680, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (18.2422, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2680,'cm^3/(mol*s)'), n=2.41, Ea=(18.2422,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CsCs;CsJ-CsHH """, ) @@ -4640,18 +3784,11 @@ index = 257, label = "C4H8 + C3H7-2 <=> C7H15-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2150, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (13.2633, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2150,'cm^3/(mol*s)'), n=2.41, Ea=(13.2633,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CsCs;CsJ-CsCsH """, ) @@ -4660,18 +3797,11 @@ index = 258, label = "C4H8 + C4H9 <=> C8H17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1590, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (7.322, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1590,'cm^3/(mol*s)'), n=2.41, Ea=(7.322,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CsCs;CsJ-CsCsCs """, ) @@ -4680,18 +3810,11 @@ index = 259, label = "allyl + C4H8 <=> C7H13-4", degeneracy = 2.0, - kinetics = Arrhenius( - A = (55800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (46.9445, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(55800,'cm^3/(mol*s)'), n=2.41, Ea=(46.9445,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CsCs;CsJ-CdHH """, ) @@ -4700,18 +3823,11 @@ index = 260, label = "C4H7-2 + C4H8 <=> C8H15-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4860, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (45.9403, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4860,'cm^3/(mol*s)'), n=2.41, Ea=(45.9403,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CsCs;CsJ-CdCsH """, ) @@ -4720,18 +3836,11 @@ index = 261, label = "C5H9 + C4H8 <=> C9H17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (628, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (41.8818, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(628,'cm^3/(mol*s)'), n=2.41, Ea=(41.8818,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CsCs;CsJ-CdCsCs """, ) @@ -4740,18 +3849,11 @@ index = 262, label = "C5H7-3 + C4H8 <=> C9H15-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9790, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (65.9817, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9790,'cm^3/(mol*s)'), n=2.41, Ea=(65.9817,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CsCs;CsJ-CdCdH """, ) @@ -4760,18 +3862,11 @@ index = 263, label = "C6H9-12 + C4H8 <=> C10H17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3340, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (65.1867, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3340,'cm^3/(mol*s)'), n=2.41, Ea=(65.1867,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CsCs;CsJ-CdCdCs """, ) @@ -4780,18 +3875,11 @@ index = 264, label = "C4H8 + C7H7-3 <=> C11H15-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (12900, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (37.2376, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(12900,'cm^3/(mol*s)'), n=2.41, Ea=(37.2376,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CsCs;CsJ-CbHH """, ) @@ -4800,18 +3888,11 @@ index = 265, label = "C4H8 + C8H9 <=> C12H17-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3180, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (34.3088, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3180,'cm^3/(mol*s)'), n=2.41, Ea=(34.3088,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CsCs;CsJ-CbCsH """, ) @@ -4820,18 +3901,11 @@ index = 266, label = "C4H8 + C9H11-15 <=> C13H19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (509, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (32.0494, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(509,'cm^3/(mol*s)'), n=2.41, Ea=(32.0494,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CsCs;CsJ-CbCsCs """, ) @@ -4840,18 +3914,11 @@ index = 267, label = "C3H3 + C4H8 <=> C7H11-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (12000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (36.1916, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(12000,'cm^3/(mol*s)'), n=2.41, Ea=(36.1916,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CsCs;CsJ-CtHH """, ) @@ -4860,18 +3927,11 @@ index = 268, label = "C4H5-12 + C4H8 <=> C8H13-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2690, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (34.267, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2690,'cm^3/(mol*s)'), n=2.41, Ea=(34.267,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CsCs;CsJ-CtCsH """, ) @@ -4880,18 +3940,11 @@ index = 269, label = "C5H7-5 + C4H8 <=> C9H15-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (687, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (31.38, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(687,'cm^3/(mol*s)'), n=2.41, Ea=(31.38,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CsCs;CsJ-CtCsCs """, ) @@ -4900,18 +3953,11 @@ index = 270, label = "C2H3 + C4H8 <=> C6H11-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (18100, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (4.6024, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(18100,'cm^3/(mol*s)'), n=2.41, Ea=(4.6024,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CsCs;CdsJ-H """, ) @@ -4920,18 +3966,11 @@ index = 271, label = "C3H5 + C4H8 <=> C7H13-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9580, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (3.72376, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9580,'cm^3/(mol*s)'), n=2.41, Ea=(3.72376,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CsCs;CdsJ-Cs """, ) @@ -4940,18 +3979,11 @@ index = 272, label = "C4H8 + C6H5 <=> C10H13-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (28600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-5.35552, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(28600,'cm^3/(mol*s)'), n=2.41, Ea=(-5.35552,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CsCs;CbJ """, ) @@ -4960,18 +3992,11 @@ index = 273, label = "CH3 + C4H6 <=> C5H9-4", degeneracy = 2.0, - kinetics = Arrhenius( - A = (47200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (10.5437, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(47200,'cm^3/(mol*s)'), n=2.41, Ea=(10.5437,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdH;CsJ-HHH """, ) @@ -4980,18 +4005,11 @@ index = 274, label = "C4H6 + C2H5 <=> C6H11-5", degeneracy = 2.0, - kinetics = Arrhenius( - A = (4780, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (8.1588, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4780,'cm^3/(mol*s)'), n=2.41, Ea=(8.1588,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdH;CsJ-CsHH """, ) @@ -5000,18 +4018,11 @@ index = 275, label = "C4H6 + C3H7-2 <=> C7H13-6", degeneracy = 2.0, - kinetics = Arrhenius( - A = (3840, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (3.17984, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3840,'cm^3/(mol*s)'), n=2.41, Ea=(3.17984,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdH;CsJ-CsCsH """, ) @@ -5020,18 +4031,11 @@ index = 276, label = "C4H6 + C4H9 <=> C8H15-3", degeneracy = 2.0, - kinetics = Arrhenius( - A = (2840, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-2.76144, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2840,'cm^3/(mol*s)'), n=2.41, Ea=(-2.76144,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdH;CsJ-CsCsCs """, ) @@ -5040,18 +4044,11 @@ index = 277, label = "allyl + C4H6 <=> C7H11-10", degeneracy = 4.0, - kinetics = Arrhenius( - A = (99600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (36.861, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(99600,'cm^3/(mol*s)'), n=2.41, Ea=(36.861,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdH;CsJ-CdHH """, ) @@ -5060,18 +4057,11 @@ index = 278, label = "C4H7-2 + C4H6 <=> C8H13-5", degeneracy = 2.0, - kinetics = Arrhenius( - A = (8660, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (35.8569, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8660,'cm^3/(mol*s)'), n=2.41, Ea=(35.8569,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdH;CsJ-CdCsH """, ) @@ -5080,18 +4070,11 @@ index = 279, label = "C5H9 + C4H6 <=> C9H15-4", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1122, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (31.7984, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1122,'cm^3/(mol*s)'), n=2.41, Ea=(31.7984,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdH;CsJ-CdCsCs """, ) @@ -5100,18 +4083,11 @@ index = 280, label = "C4H6 + C5H7-3 <=> C9H13", degeneracy = 2.0, - kinetics = Arrhenius( - A = (17480, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (55.8982, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(17480,'cm^3/(mol*s)'), n=2.41, Ea=(55.8982,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdH;CsJ-CdCdH """, ) @@ -5120,18 +4096,11 @@ index = 281, label = "C6H9-12 + C4H6 <=> C10H15", degeneracy = 2.0, - kinetics = Arrhenius( - A = (5960, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (55.1451, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5960,'cm^3/(mol*s)'), n=2.41, Ea=(55.1451,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdH;CsJ-CdCdCs """, ) @@ -5140,18 +4109,11 @@ index = 282, label = "C4H6 + C7H7-3 <=> C11H13", degeneracy = 2.0, - kinetics = Arrhenius( - A = (23000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (27.1542, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(23000,'cm^3/(mol*s)'), n=2.41, Ea=(27.1542,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdH;CsJ-CbHH """, ) @@ -5160,18 +4122,11 @@ index = 283, label = "C4H6 + C8H9 <=> C12H15", degeneracy = 2.0, - kinetics = Arrhenius( - A = (5680, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (24.2254, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5680,'cm^3/(mol*s)'), n=2.41, Ea=(24.2254,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdH;CsJ-CbCsH """, ) @@ -5180,18 +4135,11 @@ index = 284, label = "C4H6 + C9H11-15 <=> C13H17", degeneracy = 2.0, - kinetics = Arrhenius( - A = (908, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (21.966, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(908,'cm^3/(mol*s)'), n=2.41, Ea=(21.966,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdH;CsJ-CbCsCs """, ) @@ -5200,18 +4148,11 @@ index = 285, label = "C3H3 + C4H6 <=> C7H9-30", degeneracy = 2.0, - kinetics = Arrhenius( - A = (21400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (26.1082, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(21400,'cm^3/(mol*s)'), n=2.41, Ea=(26.1082,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdH;CsJ-CtHH """, ) @@ -5220,18 +4161,11 @@ index = 286, label = "C4H5-12 + C4H6 <=> C8H11", degeneracy = 2.0, - kinetics = Arrhenius( - A = (4800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (24.1835, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4800,'cm^3/(mol*s)'), n=2.41, Ea=(24.1835,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdH;CsJ-CtCsH """, ) @@ -5240,18 +4174,11 @@ index = 287, label = "C5H7-5 + C4H6 <=> C9H13-2", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1228, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (21.3384, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1228,'cm^3/(mol*s)'), n=2.41, Ea=(21.3384,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdH;CsJ-CtCsCs """, ) @@ -5260,18 +4187,11 @@ index = 288, label = "C2H3 + C4H6 <=> C6H9-6", degeneracy = 2.0, - kinetics = Arrhenius( - A = (490, 'cm^3/(mol*s)'), - n = 3.08, - Ea = (5.8576, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(490,'cm^3/(mol*s)'), n=3.08, Ea=(5.8576,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte. Update BMK/6-311G(2d,d,p) Eckart no HR.""", + shortDesc = """Aaron Vandeputte. Update BMK/6-311G(2d,d,p) Eckart no HR.""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdH;CdsJ-H """, ) @@ -5280,18 +4200,11 @@ index = 289, label = "C3H5 + C4H6 <=> C7H11-11", degeneracy = 2.0, - kinetics = Arrhenius( - A = (17100, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-6.35968, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(17100,'cm^3/(mol*s)'), n=2.41, Ea=(-6.35968,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdH;CdsJ-Cs """, ) @@ -5300,18 +4213,11 @@ index = 290, label = "C4H6 + C6H5 <=> C10H11-22", degeneracy = 2.0, - kinetics = Arrhenius( - A = (51000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-15.439, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(51000,'cm^3/(mol*s)'), n=2.41, Ea=(-15.439,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdH;CbJ """, ) @@ -5320,18 +4226,11 @@ index = 291, label = "CH3 + C5H8 <=> C6H11-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (26800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (8.7864, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(26800,'cm^3/(mol*s)'), n=2.41, Ea=(8.7864,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdCs;CsJ-HHH """, ) @@ -5340,18 +4239,11 @@ index = 292, label = "C5H8 + C2H5 <=> C7H13-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2720, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (6.40152, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2720,'cm^3/(mol*s)'), n=2.41, Ea=(6.40152,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdCs;CsJ-CsHH """, ) @@ -5360,18 +4252,11 @@ index = 293, label = "C5H8 + C3H7-2 <=> C8H15-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2180, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (1.42256, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2180,'cm^3/(mol*s)'), n=2.41, Ea=(1.42256,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdCs;CsJ-CsCsH """, ) @@ -5380,18 +4265,11 @@ index = 294, label = "C5H8 + C4H9 <=> C9H17-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1610, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-4.47688, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1610,'cm^3/(mol*s)'), n=2.41, Ea=(-4.47688,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdCs;CsJ-CsCsCs """, ) @@ -5400,18 +4278,11 @@ index = 295, label = "allyl + C5H8 <=> C8H13-6", degeneracy = 2.0, - kinetics = Arrhenius( - A = (56400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (35.1038, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(56400,'cm^3/(mol*s)'), n=2.41, Ea=(35.1038,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdCs;CsJ-CdHH """, ) @@ -5420,18 +4291,11 @@ index = 296, label = "C5H8 + C4H7-2 <=> C9H15-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4920, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (34.0996, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4920,'cm^3/(mol*s)'), n=2.41, Ea=(34.0996,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdCs;CsJ-CdCsH """, ) @@ -5440,18 +4304,11 @@ index = 297, label = "C5H9 + C5H8 <=> C10H17-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (636, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (30.0411, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(636,'cm^3/(mol*s)'), n=2.41, Ea=(30.0411,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdCs;CsJ-CdCsCs """, ) @@ -5460,18 +4317,11 @@ index = 298, label = "C5H7-3 + C5H8 <=> C10H15-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9920, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (54.141, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9920,'cm^3/(mol*s)'), n=2.41, Ea=(54.141,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdCs;CsJ-CdCdH """, ) @@ -5480,18 +4330,11 @@ index = 299, label = "C5H8 + C6H9-12 <=> C11H17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3390, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (53.3878, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3390,'cm^3/(mol*s)'), n=2.41, Ea=(53.3878,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdCs;CsJ-CdCdCs """, ) @@ -5500,18 +4343,11 @@ index = 300, label = "C5H8 + C7H7-3 <=> C12H15-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (13100, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (25.3969, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(13100,'cm^3/(mol*s)'), n=2.41, Ea=(25.3969,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdCs;CsJ-CbHH """, ) @@ -5520,18 +4356,11 @@ index = 301, label = "C5H8 + C8H9 <=> C13H17-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3220, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (22.4681, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3220,'cm^3/(mol*s)'), n=2.41, Ea=(22.4681,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdCs;CsJ-CbCsH """, ) @@ -5540,18 +4369,11 @@ index = 302, label = "C5H8 + C9H11-15 <=> C14H19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (515, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (20.2087, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(515,'cm^3/(mol*s)'), n=2.41, Ea=(20.2087,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdCs;CsJ-CbCsCs """, ) @@ -5560,18 +4382,11 @@ index = 303, label = "C3H3 + C5H8 <=> C8H11-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (12100, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (24.3509, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(12100,'cm^3/(mol*s)'), n=2.41, Ea=(24.3509,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdCs;CsJ-CtHH """, ) @@ -5580,18 +4395,11 @@ index = 304, label = "C4H5-12 + C5H8 <=> C9H13-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2730, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (22.4262, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2730,'cm^3/(mol*s)'), n=2.41, Ea=(22.4262,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdCs;CsJ-CtCsH """, ) @@ -5600,18 +4408,11 @@ index = 305, label = "C5H7-5 + C5H8 <=> C10H15-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (696, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (19.5811, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(696,'cm^3/(mol*s)'), n=2.41, Ea=(19.5811,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdCs;CsJ-CtCsCs """, ) @@ -5620,18 +4421,11 @@ index = 306, label = "C2H3 + C5H8 <=> C7H11-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (18300, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-7.23832, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(18300,'cm^3/(mol*s)'), n=2.41, Ea=(-7.23832,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdCs;CdsJ-H """, ) @@ -5640,18 +4434,11 @@ index = 307, label = "C3H5 + C5H8 <=> C8H13-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9710, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-8.11696, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9710,'cm^3/(mol*s)'), n=2.41, Ea=(-8.11696,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdCs;CdsJ-Cs """, ) @@ -5660,18 +4447,11 @@ index = 308, label = "C5H8 + C6H5 <=> C11H13-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (28900, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-17.1962, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(28900,'cm^3/(mol*s)'), n=2.41, Ea=(-17.1962,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdCs;CbJ """, ) @@ -5680,18 +4460,11 @@ index = 309, label = "CH3 + C6H8-7 <=> C7H11-13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (81600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (5.0208, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(81600,'cm^3/(mol*s)'), n=2.41, Ea=(5.0208,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdCd;CsJ-HHH """, ) @@ -5700,18 +4473,11 @@ index = 310, label = "C6H8-7 + C2H5 <=> C8H13-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8280, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (2.63592, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8280,'cm^3/(mol*s)'), n=2.41, Ea=(2.63592,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdCd;CsJ-CsHH """, ) @@ -5720,18 +4486,11 @@ index = 311, label = "C6H8-7 + C3H7-2 <=> C9H15-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6640, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-2.34304, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6640,'cm^3/(mol*s)'), n=2.41, Ea=(-2.34304,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdCd;CsJ-CsCsH """, ) @@ -5740,18 +4499,11 @@ index = 312, label = "C6H8-7 + C4H9 <=> C10H17-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4920, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-8.28432, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4920,'cm^3/(mol*s)'), n=2.41, Ea=(-8.28432,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdCd;CsJ-CsCsCs """, ) @@ -5760,18 +4512,11 @@ index = 313, label = "C6H8-7 + allyl <=> C9H13-4", degeneracy = 2.0, - kinetics = Arrhenius( - A = (172200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (31.3382, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(172200,'cm^3/(mol*s)'), n=2.41, Ea=(31.3382,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdCd;CsJ-CdHH """, ) @@ -5780,18 +4525,11 @@ index = 314, label = "C6H8-7 + C4H7-2 <=> C10H15-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (15000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (30.334, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(15000,'cm^3/(mol*s)'), n=2.41, Ea=(30.334,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdCd;CsJ-CdCsH """, ) @@ -5800,18 +4538,11 @@ index = 315, label = "C6H8-7 + C5H9 <=> C11H17-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1940, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (26.2755, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1940,'cm^3/(mol*s)'), n=2.41, Ea=(26.2755,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdCd;CsJ-CdCsCs """, ) @@ -5820,18 +4551,11 @@ index = 316, label = "C6H8-7 + C5H7-3 <=> C11H15-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (30200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (50.3754, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(30200,'cm^3/(mol*s)'), n=2.41, Ea=(50.3754,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdCd;CsJ-CdCdH """, ) @@ -5840,18 +4564,11 @@ index = 317, label = "C6H9-12 + C6H8-7 <=> C12H17-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (10300, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (49.6222, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(10300,'cm^3/(mol*s)'), n=2.41, Ea=(49.6222,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdCd;CsJ-CdCdCs """, ) @@ -5860,18 +4577,11 @@ index = 318, label = "C6H8-7 + C7H7-3 <=> C13H15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (39900, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (21.6313, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(39900,'cm^3/(mol*s)'), n=2.41, Ea=(21.6313,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdCd;CsJ-CbHH """, ) @@ -5880,18 +4590,11 @@ index = 319, label = "C6H8-7 + C8H9 <=> C14H17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9820, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (18.7025, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9820,'cm^3/(mol*s)'), n=2.41, Ea=(18.7025,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdCd;CsJ-CbCsH """, ) @@ -5900,18 +4603,11 @@ index = 320, label = "C6H8-7 + C9H11-15 <=> C15H19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1570, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (16.4431, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1570,'cm^3/(mol*s)'), n=2.41, Ea=(16.4431,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdCd;CsJ-CbCsCs """, ) @@ -5920,18 +4616,11 @@ index = 321, label = "C3H3 + C6H8-7 <=> C9H11-16", degeneracy = 1.0, - kinetics = Arrhenius( - A = (36900, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (20.5853, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(36900,'cm^3/(mol*s)'), n=2.41, Ea=(20.5853,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdCd;CsJ-CtHH """, ) @@ -5940,18 +4629,11 @@ index = 322, label = "C4H5-12 + C6H8-7 <=> C10H13-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8320, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (18.6606, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8320,'cm^3/(mol*s)'), n=2.41, Ea=(18.6606,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdCd;CsJ-CtCsH """, ) @@ -5960,18 +4642,11 @@ index = 323, label = "C5H7-5 + C6H8-7 <=> C11H15-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2120, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (15.7737, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2120,'cm^3/(mol*s)'), n=2.41, Ea=(15.7737,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdCd;CsJ-CtCsCs """, ) @@ -5980,18 +4655,11 @@ index = 324, label = "C2H3 + C6H8-7 <=> C8H11-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (55800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-11.0039, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(55800,'cm^3/(mol*s)'), n=2.41, Ea=(-11.0039,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdCd;CdsJ-H """, ) @@ -6000,18 +4668,11 @@ index = 325, label = "C3H5 + C6H8-7 <=> C9H13-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (29600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-11.8826, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(29600,'cm^3/(mol*s)'), n=2.41, Ea=(-11.8826,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdCd;CdsJ-Cs """, ) @@ -6020,18 +4681,11 @@ index = 326, label = "C6H8-7 + C6H5 <=> C12H13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (88100, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-20.9618, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(88100,'cm^3/(mol*s)'), n=2.41, Ea=(-20.9618,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdCd;CbJ """, ) @@ -6040,18 +4694,11 @@ index = 327, label = "CH3 + C8H8 <=> C9H11-1", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7700, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (17.9075, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7700,'cm^3/(mol*s)'), n=2.41, Ea=(17.9075,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CbH;CsJ-HHH """, ) @@ -6060,18 +4707,11 @@ index = 328, label = "C8H8 + C2H5 <=> C10H13-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (782, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (15.5226, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(782,'cm^3/(mol*s)'), n=2.41, Ea=(15.5226,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CbH;CsJ-CsHH """, ) @@ -6080,18 +4720,11 @@ index = 329, label = "C8H8 + C3H7-2 <=> C11H15-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (627, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (10.5018, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(627,'cm^3/(mol*s)'), n=2.41, Ea=(10.5018,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CbH;CsJ-CsCsH """, ) @@ -6100,18 +4733,11 @@ index = 330, label = "C8H8 + C4H9 <=> C12H17-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (464, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (4.6024, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(464,'cm^3/(mol*s)'), n=2.41, Ea=(4.6024,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CbH;CsJ-CsCsCs """, ) @@ -6120,18 +4746,11 @@ index = 331, label = "allyl + C8H8 <=> C11H13-3", degeneracy = 2.0, - kinetics = Arrhenius( - A = (16240, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (44.2249, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(16240,'cm^3/(mol*s)'), n=2.41, Ea=(44.2249,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CbH;CsJ-CdHH """, ) @@ -6140,18 +4759,11 @@ index = 332, label = "C4H7-2 + C8H8 <=> C12H15-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1410, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.2207, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1410,'cm^3/(mol*s)'), n=2.41, Ea=(43.2207,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CbH;CsJ-CdCsH """, ) @@ -6160,18 +4772,11 @@ index = 333, label = "C5H9 + C8H8 <=> C13H17-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (183, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (39.1204, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(183,'cm^3/(mol*s)'), n=2.41, Ea=(39.1204,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CbH;CsJ-CdCsCs """, ) @@ -6180,18 +4785,11 @@ index = 334, label = "C5H7-3 + C8H8 <=> C13H15-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2850, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (63.2202, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2850,'cm^3/(mol*s)'), n=2.41, Ea=(63.2202,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CbH;CsJ-CdCdH """, ) @@ -6200,18 +4798,11 @@ index = 335, label = "C6H9-12 + C8H8 <=> C14H17-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (974, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (62.4671, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(974,'cm^3/(mol*s)'), n=2.41, Ea=(62.4671,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CbH;CsJ-CdCdCs """, ) @@ -6220,18 +4811,11 @@ index = 336, label = "C8H8 + C7H7-3 <=> C15H15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3770, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (34.4762, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3770,'cm^3/(mol*s)'), n=2.41, Ea=(34.4762,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CbH;CsJ-CbHH """, ) @@ -6240,18 +4824,11 @@ index = 337, label = "C8H8 + C8H9 <=> C16H17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (926, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (31.5474, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(926,'cm^3/(mol*s)'), n=2.41, Ea=(31.5474,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CbH;CsJ-CbCsH """, ) @@ -6260,18 +4837,11 @@ index = 338, label = "C8H8 + C9H11-15 <=> C17H19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (148, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (29.3298, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(148,'cm^3/(mol*s)'), n=2.41, Ea=(29.3298,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CbH;CsJ-CbCsCs """, ) @@ -6280,18 +4850,11 @@ index = 339, label = "C3H3 + C8H8 <=> C11H11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3480, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (33.4302, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3480,'cm^3/(mol*s)'), n=2.41, Ea=(33.4302,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CbH;CsJ-CtHH """, ) @@ -6300,18 +4863,11 @@ index = 340, label = "C4H5-12 + C8H8 <=> C12H13-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (785, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (31.5055, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(785,'cm^3/(mol*s)'), n=2.41, Ea=(31.5055,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CbH;CsJ-CtCsH """, ) @@ -6320,18 +4876,11 @@ index = 341, label = "C5H7-5 + C8H8 <=> C13H15-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (28.6604, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(200,'cm^3/(mol*s)'), n=2.41, Ea=(28.6604,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CbH;CsJ-CtCsCs """, ) @@ -6340,18 +4889,11 @@ index = 342, label = "C2H3 + C8H8 <=> C10H11-25", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5270, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (1.8828, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5270,'cm^3/(mol*s)'), n=2.41, Ea=(1.8828,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CbH;CdsJ-H """, ) @@ -6360,18 +4902,11 @@ index = 343, label = "C3H5 + C8H8 <=> C11H13-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2790, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (0.96232, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2790,'cm^3/(mol*s)'), n=2.41, Ea=(0.96232,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CbH;CdsJ-Cs """, ) @@ -6380,18 +4915,11 @@ index = 344, label = "C8H8 + C6H5 <=> C14H13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8320, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-8.11696, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8320,'cm^3/(mol*s)'), n=2.41, Ea=(-8.11696,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CbH;CbJ """, ) @@ -6400,18 +4928,11 @@ index = 345, label = "CH3 + C9H10-10 <=> C10H13-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (16300, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (17.2381, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(16300,'cm^3/(mol*s)'), n=2.41, Ea=(17.2381,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CbCs;CsJ-HHH """, ) @@ -6420,18 +4941,11 @@ index = 346, label = "C9H10-10 + C2H5 <=> C11H15-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1660, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (14.8532, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1660,'cm^3/(mol*s)'), n=2.41, Ea=(14.8532,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CbCs;CsJ-CsHH """, ) @@ -6440,18 +4954,11 @@ index = 347, label = "C9H10-10 + C3H7-2 <=> C12H17-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1330, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (9.8324, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1330,'cm^3/(mol*s)'), n=2.41, Ea=(9.8324,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CbCs;CsJ-CsCsH """, ) @@ -6460,18 +4967,11 @@ index = 348, label = "C9H10-10 + C4H9 <=> C13H19-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (985, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (3.93296, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(985,'cm^3/(mol*s)'), n=2.41, Ea=(3.93296,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CbCs;CsJ-CsCsCs """, ) @@ -6480,18 +4980,11 @@ index = 349, label = "allyl + C9H10-10 <=> C12H15-4", degeneracy = 2.0, - kinetics = Arrhenius( - A = (34400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.5554, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(34400,'cm^3/(mol*s)'), n=2.41, Ea=(43.5554,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CbCs;CsJ-CdHH """, ) @@ -6500,18 +4993,11 @@ index = 350, label = "C4H7-2 + C9H10-10 <=> C13H17-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (42.5513, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3000,'cm^3/(mol*s)'), n=2.41, Ea=(42.5513,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CbCs;CsJ-CdCsH """, ) @@ -6520,18 +5006,11 @@ index = 351, label = "C5H9 + C9H10-10 <=> C14H19-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (388, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (38.451, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(388,'cm^3/(mol*s)'), n=2.41, Ea=(38.451,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CbCs;CsJ-CdCsCs """, ) @@ -6540,18 +5019,11 @@ index = 352, label = "C5H7-3 + C9H10-10 <=> C14H17-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6050, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (62.5508, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6050,'cm^3/(mol*s)'), n=2.41, Ea=(62.5508,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CbCs;CsJ-CdCdH """, ) @@ -6560,18 +5032,11 @@ index = 353, label = "C6H9-12 + C9H10-10 <=> C15H19-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2070, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (61.7977, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2070,'cm^3/(mol*s)'), n=2.41, Ea=(61.7977,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CbCs;CsJ-CdCdCs """, ) @@ -6580,18 +5045,11 @@ index = 354, label = "C9H10-10 + C7H7-3 <=> C16H17-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7990, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (33.8067, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7990,'cm^3/(mol*s)'), n=2.41, Ea=(33.8067,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CbCs;CsJ-CbHH """, ) @@ -6600,18 +5058,11 @@ index = 355, label = "C9H10-10 + C8H9 <=> C17H19-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1960, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (30.8779, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1960,'cm^3/(mol*s)'), n=2.41, Ea=(30.8779,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CbCs;CsJ-CbCsH """, ) @@ -6620,18 +5071,11 @@ index = 356, label = "C9H10-10 + C9H11-15 <=> C18H21", degeneracy = 1.0, - kinetics = Arrhenius( - A = (314, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (28.6604, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(314,'cm^3/(mol*s)'), n=2.41, Ea=(28.6604,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CbCs;CsJ-CbCsCs """, ) @@ -6640,18 +5084,11 @@ index = 357, label = "C3H3 + C9H10-10 <=> C12H13-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7380, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (32.7607, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7380,'cm^3/(mol*s)'), n=2.41, Ea=(32.7607,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CbCs;CsJ-CtHH """, ) @@ -6660,18 +5097,11 @@ index = 358, label = "C4H5-12 + C9H10-10 <=> C13H15-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1660, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (30.8361, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1660,'cm^3/(mol*s)'), n=2.41, Ea=(30.8361,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CbCs;CsJ-CtCsH """, ) @@ -6680,18 +5110,11 @@ index = 359, label = "C5H7-5 + C9H10-10 <=> C14H17-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (425, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (27.991, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(425,'cm^3/(mol*s)'), n=2.41, Ea=(27.991,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CbCs;CsJ-CtCsCs """, ) @@ -6700,18 +5123,11 @@ index = 360, label = "C2H3 + C9H10-10 <=> C11H13-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (11200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (1.21336, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(11200,'cm^3/(mol*s)'), n=2.41, Ea=(1.21336,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CbCs;CdsJ-H """, ) @@ -6720,18 +5136,11 @@ index = 361, label = "C3H5 + C9H10-10 <=> C12H15-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5920, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (0.29288, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5920,'cm^3/(mol*s)'), n=2.41, Ea=(0.29288,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CbCs;CdsJ-Cs """, ) @@ -6740,18 +5149,11 @@ index = 362, label = "C9H10-10 + C6H5 <=> C15H15-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (17600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-8.7864, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(17600,'cm^3/(mol*s)'), n=2.41, Ea=(-8.7864,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CbCs;CbJ """, ) @@ -6760,18 +5162,11 @@ index = 363, label = "C4H4 + CH3 <=> C5H7-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (30600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (9.91608, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(30600,'cm^3/(mol*s)'), n=2.41, Ea=(9.91608,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CtH;CsJ-HHH """, ) @@ -6780,18 +5175,11 @@ index = 364, label = "C4H4 + C2H5 <=> C6H9-15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3100, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (7.5312, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3100,'cm^3/(mol*s)'), n=2.41, Ea=(7.5312,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CtH;CsJ-CsHH """, ) @@ -6800,18 +5188,11 @@ index = 365, label = "C4H4 + C3H7-2 <=> C7H11-14", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2490, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (2.5104, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2490,'cm^3/(mol*s)'), n=2.41, Ea=(2.5104,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CtH;CsJ-CsCsH """, ) @@ -6820,18 +5201,11 @@ index = 366, label = "C4H4 + C4H9 <=> C8H13-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1840, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-3.38904, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1840,'cm^3/(mol*s)'), n=2.41, Ea=(-3.38904,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CtH;CsJ-CsCsCs """, ) @@ -6840,18 +5214,11 @@ index = 367, label = "C4H4 + allyl <=> C7H9-31", degeneracy = 2.0, - kinetics = Arrhenius( - A = (64600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (36.2334, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(64600,'cm^3/(mol*s)'), n=2.41, Ea=(36.2334,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CtH;CsJ-CdHH """, ) @@ -6860,18 +5227,11 @@ index = 368, label = "C4H4 + C4H7-2 <=> C8H11-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5620, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (35.2293, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5620,'cm^3/(mol*s)'), n=2.41, Ea=(35.2293,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CtH;CsJ-CdCsH """, ) @@ -6880,18 +5240,11 @@ index = 369, label = "C4H4 + C5H9 <=> C9H13-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (727, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (31.129, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(727,'cm^3/(mol*s)'), n=2.41, Ea=(31.129,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CtH;CsJ-CdCsCs """, ) @@ -6900,18 +5253,11 @@ index = 370, label = "C4H4 + C5H7-3 <=> C9H11-17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (11300, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (55.2288, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(11300,'cm^3/(mol*s)'), n=2.41, Ea=(55.2288,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CtH;CsJ-CdCdH """, ) @@ -6920,18 +5266,11 @@ index = 371, label = "C4H4 + C6H9-12 <=> C10H13-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3870, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (54.4757, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3870,'cm^3/(mol*s)'), n=2.41, Ea=(54.4757,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CtH;CsJ-CdCdCs """, ) @@ -6940,18 +5279,11 @@ index = 372, label = "C4H4 + C7H7-3 <=> C11H11-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (15000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (26.4847, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(15000,'cm^3/(mol*s)'), n=2.41, Ea=(26.4847,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CtH;CsJ-CbHH """, ) @@ -6960,18 +5292,11 @@ index = 373, label = "C4H4 + C8H9 <=> C12H13-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3680, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (23.5978, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3680,'cm^3/(mol*s)'), n=2.41, Ea=(23.5978,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CtH;CsJ-CbCsH """, ) @@ -6980,18 +5305,11 @@ index = 374, label = "C4H4 + C9H11-15 <=> C13H15-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (589, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (21.3384, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(589,'cm^3/(mol*s)'), n=2.41, Ea=(21.3384,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CtH;CsJ-CbCsCs """, ) @@ -7000,18 +5318,11 @@ index = 375, label = "C4H4 + C3H3 <=> C7H7-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (13800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (25.4806, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(13800,'cm^3/(mol*s)'), n=2.41, Ea=(25.4806,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CtH;CsJ-CtHH """, ) @@ -7020,18 +5331,11 @@ index = 376, label = "C4H4 + C4H5-12 <=> C8H9-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3120, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (23.5141, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3120,'cm^3/(mol*s)'), n=2.41, Ea=(23.5141,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CtH;CsJ-CtCsH """, ) @@ -7040,18 +5344,11 @@ index = 377, label = "C5H7-5 + C4H4 <=> C9H11-18", degeneracy = 1.0, - kinetics = Arrhenius( - A = (795, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (20.669, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(795,'cm^3/(mol*s)'), n=2.41, Ea=(20.669,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CtH;CsJ-CtCsCs """, ) @@ -7060,18 +5357,11 @@ index = 378, label = "C4H4 + C2H3 <=> C6H7-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (20900, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-6.10864, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(20900,'cm^3/(mol*s)'), n=2.41, Ea=(-6.10864,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CtH;CdsJ-H """, ) @@ -7080,18 +5370,11 @@ index = 379, label = "C4H4 + C3H5 <=> C7H9-32", degeneracy = 1.0, - kinetics = Arrhenius( - A = (11100, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-6.98728, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(11100,'cm^3/(mol*s)'), n=2.41, Ea=(-6.98728,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CtH;CdsJ-Cs """, ) @@ -7100,18 +5383,11 @@ index = 380, label = "C4H4 + C6H5 <=> C10H9-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (33000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-16.1084, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(33000,'cm^3/(mol*s)'), n=2.41, Ea=(-16.1084,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CtH;CbJ """, ) @@ -7120,18 +5396,11 @@ index = 381, label = "C5H6-3 + CH3 <=> C6H9-16", degeneracy = 1.0, - kinetics = Arrhenius( - A = (31300, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (9.53952, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(31300,'cm^3/(mol*s)'), n=2.41, Ea=(9.53952,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CtCs;CsJ-HHH """, ) @@ -7140,18 +5409,11 @@ index = 382, label = "C5H6-3 + C2H5 <=> C7H11-15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3180, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (7.15464, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3180,'cm^3/(mol*s)'), n=2.41, Ea=(7.15464,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CtCs;CsJ-CsHH """, ) @@ -7160,18 +5422,11 @@ index = 383, label = "C5H6-3 + C3H7-2 <=> C8H13-10", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2550, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (2.17568, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2550,'cm^3/(mol*s)'), n=2.41, Ea=(2.17568,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CtCs;CsJ-CsCsH """, ) @@ -7180,18 +5435,11 @@ index = 384, label = "C5H6-3 + C4H9 <=> C9H15-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1890, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-3.7656, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1890,'cm^3/(mol*s)'), n=2.41, Ea=(-3.7656,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CtCs;CsJ-CsCsCs """, ) @@ -7200,18 +5448,11 @@ index = 385, label = "C5H6-3 + allyl <=> C8H11-5", degeneracy = 2.0, - kinetics = Arrhenius( - A = (66000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (35.8569, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(66000,'cm^3/(mol*s)'), n=2.41, Ea=(35.8569,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CtCs;CsJ-CdHH """, ) @@ -7220,18 +5461,11 @@ index = 386, label = "C5H6-3 + C4H7-2 <=> C9H13-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5750, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (34.8527, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5750,'cm^3/(mol*s)'), n=2.41, Ea=(34.8527,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CtCs;CsJ-CdCsH """, ) @@ -7240,18 +5474,11 @@ index = 387, label = "C5H6-3 + C5H9 <=> C10H15-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (744, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (30.7942, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(744,'cm^3/(mol*s)'), n=2.41, Ea=(30.7942,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CtCs;CsJ-CdCsCs """, ) @@ -7260,18 +5487,11 @@ index = 388, label = "C5H6-3 + C5H7-3 <=> C10H13-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (11600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (54.8941, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(11600,'cm^3/(mol*s)'), n=2.41, Ea=(54.8941,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CtCs;CsJ-CdCdH """, ) @@ -7280,18 +5500,11 @@ index = 389, label = "C5H6-3 + C6H9-12 <=> C11H15-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3960, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (54.141, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3960,'cm^3/(mol*s)'), n=2.41, Ea=(54.141,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CtCs;CsJ-CdCdCs """, ) @@ -7300,18 +5513,11 @@ index = 390, label = "C5H6-3 + C7H7-3 <=> C12H13-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (15300, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (26.15, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(15300,'cm^3/(mol*s)'), n=2.41, Ea=(26.15,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CtCs;CsJ-CbHH """, ) @@ -7320,18 +5526,11 @@ index = 391, label = "C5H6-3 + C8H9 <=> C13H15-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3770, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (23.2212, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3770,'cm^3/(mol*s)'), n=2.41, Ea=(23.2212,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CtCs;CsJ-CbCsH """, ) @@ -7340,18 +5539,11 @@ index = 392, label = "C5H6-3 + C9H11-15 <=> C14H17-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (603, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (20.9618, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(603,'cm^3/(mol*s)'), n=2.41, Ea=(20.9618,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CtCs;CsJ-CbCsCs """, ) @@ -7360,18 +5552,11 @@ index = 393, label = "C5H6-3 + C3H3 <=> C8H9-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (14200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (25.104, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(14200,'cm^3/(mol*s)'), n=2.41, Ea=(25.104,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CtCs;CsJ-CtHH """, ) @@ -7380,18 +5565,11 @@ index = 394, label = "C5H6-3 + C4H5-12 <=> C9H11-19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3190, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (23.1794, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3190,'cm^3/(mol*s)'), n=2.41, Ea=(23.1794,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CtCs;CsJ-CtCsH """, ) @@ -7400,18 +5578,11 @@ index = 395, label = "C5H6-3 + C5H7-5 <=> C10H13-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (814, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (20.3342, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(814,'cm^3/(mol*s)'), n=2.41, Ea=(20.3342,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CtCs;CsJ-CtCsCs """, ) @@ -7420,18 +5591,11 @@ index = 396, label = "C5H6-3 + C2H3 <=> C7H9-33", degeneracy = 1.0, - kinetics = Arrhenius( - A = (21400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-6.4852, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(21400,'cm^3/(mol*s)'), n=2.41, Ea=(-6.4852,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CtCs;CdsJ-H """, ) @@ -7440,18 +5604,11 @@ index = 397, label = "C5H6-3 + C3H5 <=> C8H11-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (11400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-7.36384, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(11400,'cm^3/(mol*s)'), n=2.41, Ea=(-7.36384,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CtCs;CdsJ-Cs """, ) @@ -7460,18 +5617,11 @@ index = 398, label = "C5H6-3 + C6H5 <=> C11H11-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (33800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-16.4431, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(33800,'cm^3/(mol*s)'), n=2.41, Ea=(-16.4431,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CtCs;CbJ """, ) @@ -7480,18 +5630,11 @@ index = 399, label = "CH3 + C3H4-3 <=> C4H7-4", degeneracy = 2.0, - kinetics = Arrhenius( - A = (45200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (25.9408, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(45200,'cm^3/(mol*s)'), n=2.41, Ea=(25.9408,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Ca;CsJ-HHH """, ) @@ -7500,18 +5643,11 @@ index = 400, label = "C3H4-3 + C2H5 <=> C5H9-5", degeneracy = 2.0, - kinetics = Arrhenius( - A = (4580, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (23.5559, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4580,'cm^3/(mol*s)'), n=2.41, Ea=(23.5559,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Ca;CsJ-CsHH """, ) @@ -7520,18 +5656,11 @@ index = 401, label = "C3H4-3 + C3H7-2 <=> C6H11-7", degeneracy = 2.0, - kinetics = Arrhenius( - A = (3680, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (18.5351, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3680,'cm^3/(mol*s)'), n=2.41, Ea=(18.5351,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Ca;CsJ-CsCsH """, ) @@ -7540,18 +5669,11 @@ index = 402, label = "C3H4-3 + C4H9 <=> C7H13-8", degeneracy = 2.0, - kinetics = Arrhenius( - A = (2720, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (12.6357, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2720,'cm^3/(mol*s)'), n=2.41, Ea=(12.6357,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Ca;CsJ-CsCsCs """, ) @@ -7560,18 +5682,11 @@ index = 403, label = "C3H4-3 + allyl <=> C6H9-5", degeneracy = 4.0, - kinetics = Arrhenius( - A = (95200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (52.2163, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(95200,'cm^3/(mol*s)'), n=2.41, Ea=(52.2163,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Ca;CsJ-CdHH """, ) @@ -7580,18 +5695,11 @@ index = 404, label = "C3H4-3 + C4H7-2 <=> C7H11-16", degeneracy = 2.0, - kinetics = Arrhenius( - A = (8300, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (51.254, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8300,'cm^3/(mol*s)'), n=2.41, Ea=(51.254,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Ca;CsJ-CdCsH """, ) @@ -7600,18 +5708,11 @@ index = 405, label = "C3H4-3 + C5H9 <=> C8H13-11", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1074, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (47.1537, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1074,'cm^3/(mol*s)'), n=2.41, Ea=(47.1537,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Ca;CsJ-CdCsCs """, ) @@ -7620,18 +5721,11 @@ index = 406, label = "C3H4-3 + C5H7-3 <=> C8H11-7", degeneracy = 2.0, - kinetics = Arrhenius( - A = (16740, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (71.2535, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(16740,'cm^3/(mol*s)'), n=2.41, Ea=(71.2535,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Ca;CsJ-CdCdH """, ) @@ -7640,18 +5734,11 @@ index = 407, label = "C3H4-3 + C6H9-12 <=> C9H13-8", degeneracy = 2.0, - kinetics = Arrhenius( - A = (5720, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (70.5004, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5720,'cm^3/(mol*s)'), n=2.41, Ea=(70.5004,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Ca;CsJ-CdCdCs """, ) @@ -7660,18 +5747,11 @@ index = 408, label = "C3H4-3 + C7H7-3 <=> C10H11-26", degeneracy = 2.0, - kinetics = Arrhenius( - A = (22200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (42.5094, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(22200,'cm^3/(mol*s)'), n=2.41, Ea=(42.5094,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Ca;CsJ-CbHH """, ) @@ -7680,18 +5760,11 @@ index = 409, label = "C3H4-3 + C8H9 <=> C11H13-6", degeneracy = 2.0, - kinetics = Arrhenius( - A = (5440, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (39.5806, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5440,'cm^3/(mol*s)'), n=2.41, Ea=(39.5806,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Ca;CsJ-CbCsH """, ) @@ -7700,18 +5773,11 @@ index = 410, label = "C3H4-3 + C9H11-15 <=> C12H15-6", degeneracy = 2.0, - kinetics = Arrhenius( - A = (870, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (37.3631, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(870,'cm^3/(mol*s)'), n=2.41, Ea=(37.3631,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Ca;CsJ-CbCsCs """, ) @@ -7720,18 +5786,11 @@ index = 411, label = "C3H3 + C3H4-3 <=> C6H7-3", degeneracy = 2.0, - kinetics = Arrhenius( - A = (20400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (41.4634, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(20400,'cm^3/(mol*s)'), n=2.41, Ea=(41.4634,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Ca;CsJ-CtHH """, ) @@ -7740,18 +5799,11 @@ index = 412, label = "C4H5-12 + C3H4-3 <=> C7H9-34", degeneracy = 2.0, - kinetics = Arrhenius( - A = (4600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (39.5388, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4600,'cm^3/(mol*s)'), n=2.41, Ea=(39.5388,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Ca;CsJ-CtCsH """, ) @@ -7760,18 +5812,11 @@ index = 413, label = "C5H7-5 + C3H4-3 <=> C8H11-8", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1176, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (36.6937, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1176,'cm^3/(mol*s)'), n=2.41, Ea=(36.6937,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Ca;CsJ-CtCsCs """, ) @@ -7780,18 +5825,11 @@ index = 414, label = "C2H3 + C3H4-3 <=> C5H7-7", degeneracy = 2.0, - kinetics = Arrhenius( - A = (30800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (9.91608, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(30800,'cm^3/(mol*s)'), n=2.41, Ea=(9.91608,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Ca;CdsJ-H """, ) @@ -7800,18 +5838,11 @@ index = 415, label = "C3H4-3 + C3H5 <=> C6H9-17", degeneracy = 2.0, - kinetics = Arrhenius( - A = (16380, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (8.9956, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(16380,'cm^3/(mol*s)'), n=2.41, Ea=(8.9956,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Ca;CdsJ-Cs """, ) @@ -7820,18 +5851,11 @@ index = 416, label = "C3H4-3 + C6H5 <=> C9H9-4", degeneracy = 2.0, - kinetics = Arrhenius( - A = (48800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-0.08368, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(48800,'cm^3/(mol*s)'), n=2.41, Ea=(-0.08368,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Ca;CbJ """, ) @@ -7840,18 +5864,11 @@ index = 417, label = "CH3 + propene_2 <=> C4H9-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (10000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (29.7482, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(10000,'cm^3/(mol*s)'), n=2.41, Ea=(29.7482,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-HH;CsJ-HHH """, ) @@ -7860,18 +5877,11 @@ index = 418, label = "propene_2 + C2H5 <=> C5H11-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1020, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (27.3634, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1020,'cm^3/(mol*s)'), n=2.41, Ea=(27.3634,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-HH;CsJ-CsHH """, ) @@ -7880,18 +5890,11 @@ index = 419, label = "propene_2 + C3H7-2 <=> C6H13-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (818, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (22.3844, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(818,'cm^3/(mol*s)'), n=2.41, Ea=(22.3844,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-HH;CsJ-CsCsH """, ) @@ -7900,18 +5903,11 @@ index = 420, label = "propene_2 + C4H9 <=> C7H15-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (606, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (16.4431, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(606,'cm^3/(mol*s)'), n=2.41, Ea=(16.4431,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-HH;CsJ-CsCsCs """, ) @@ -7920,18 +5916,11 @@ index = 421, label = "allyl + propene_2 <=> methylpentenyl", degeneracy = 2.0, - kinetics = Arrhenius( - A = (21200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (56.0656, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(21200,'cm^3/(mol*s)'), n=2.41, Ea=(56.0656,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-HH;CsJ-CdHH """, ) @@ -7940,18 +5929,11 @@ index = 422, label = "C4H7-2 + propene_2 <=> C7H13-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1850, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (55.0614, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1850,'cm^3/(mol*s)'), n=2.41, Ea=(55.0614,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-HH;CsJ-CdCsH """, ) @@ -7960,18 +5942,11 @@ index = 423, label = "C5H9 + propene_2 <=> C8H15-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (239, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (51.003, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(239,'cm^3/(mol*s)'), n=2.41, Ea=(51.003,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-HH;CsJ-CdCsCs """, ) @@ -7980,18 +5955,11 @@ index = 424, label = "C5H7-3 + propene_2 <=> C8H13-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3720, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (75.061, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3720,'cm^3/(mol*s)'), n=2.41, Ea=(75.061,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-HH;CsJ-CdCdH """, ) @@ -8000,18 +5968,11 @@ index = 425, label = "C6H9-12 + propene_2 <=> C9H15-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1270, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (74.3078, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1270,'cm^3/(mol*s)'), n=2.41, Ea=(74.3078,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-HH;CsJ-CdCdCs """, ) @@ -8020,18 +5981,11 @@ index = 426, label = "propene_2 + C7H7-3 <=> C10H13-10", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4910, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (46.3169, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4910,'cm^3/(mol*s)'), n=2.41, Ea=(46.3169,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-HH;CsJ-CbHH """, ) @@ -8040,18 +5994,11 @@ index = 427, label = "propene_2 + C8H9 <=> C11H15-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1210, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.4299, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1210,'cm^3/(mol*s)'), n=2.41, Ea=(43.4299,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-HH;CsJ-CbCsH """, ) @@ -8060,18 +6007,11 @@ index = 428, label = "propene_2 + C9H11-15 <=> C12H17-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (193, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (41.1706, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(193,'cm^3/(mol*s)'), n=2.41, Ea=(41.1706,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-HH;CsJ-CbCsCs """, ) @@ -8080,18 +6020,11 @@ index = 429, label = "C3H3 + propene_2 <=> C6H9-18", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4540, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (45.3127, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4540,'cm^3/(mol*s)'), n=2.41, Ea=(45.3127,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-HH;CsJ-CtHH """, ) @@ -8100,18 +6033,11 @@ index = 430, label = "C4H5-12 + propene_2 <=> C7H11-17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1020, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.3462, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1020,'cm^3/(mol*s)'), n=2.41, Ea=(43.3462,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-HH;CsJ-CtCsH """, ) @@ -8120,18 +6046,11 @@ index = 431, label = "C5H7-5 + propene_2 <=> C8H13-13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (261, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (40.5011, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(261,'cm^3/(mol*s)'), n=2.41, Ea=(40.5011,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-HH;CsJ-CtCsCs """, ) @@ -8140,18 +6059,11 @@ index = 432, label = "C2H3 + propene_2 <=> C5H9-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6870, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (13.7235, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6870,'cm^3/(mol*s)'), n=2.41, Ea=(13.7235,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-HH;CdsJ-H """, ) @@ -8160,18 +6072,11 @@ index = 433, label = "C3H5 + propene_2 <=> C6H11-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3640, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (12.8449, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3640,'cm^3/(mol*s)'), n=2.41, Ea=(12.8449,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-HH;CdsJ-Cs """, ) @@ -8180,18 +6085,11 @@ index = 434, label = "propene_2 + C6H5 <=> C9H11-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (10800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (3.72376, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(10800,'cm^3/(mol*s)'), n=2.41, Ea=(3.72376,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-HH;CbJ """, ) @@ -8200,18 +6098,11 @@ index = 435, label = "CH3 + butene2 <=> C5H11-5", degeneracy = 2.0, - kinetics = Arrhenius( - A = (20200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (28.4512, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(20200,'cm^3/(mol*s)'), n=2.41, Ea=(28.4512,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CsH;CsJ-HHH """, ) @@ -8220,18 +6111,11 @@ index = 436, label = "C2H5 + butene2 <=> C6H13-5", degeneracy = 2.0, - kinetics = Arrhenius( - A = (2040, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (26.0663, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2040,'cm^3/(mol*s)'), n=2.41, Ea=(26.0663,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CsH;CsJ-CsHH """, ) @@ -8240,18 +6124,11 @@ index = 437, label = "butene2 + C3H7-2 <=> C7H15-4", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1642, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (21.0455, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1642,'cm^3/(mol*s)'), n=2.41, Ea=(21.0455,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CsH;CsJ-CsCsH """, ) @@ -8260,18 +6137,11 @@ index = 438, label = "butene2 + C4H9 <=> C8H17-2", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1216, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (15.1461, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1216,'cm^3/(mol*s)'), n=2.41, Ea=(15.1461,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CsH;CsJ-CsCsCs """, ) @@ -8280,18 +6150,11 @@ index = 439, label = "allyl + butene2 <=> C7H13_2", degeneracy = 4.0, - kinetics = Arrhenius( - A = (42400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (54.7686, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(42400,'cm^3/(mol*s)'), n=2.41, Ea=(54.7686,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CsH;CsJ-CdHH """, ) @@ -8300,18 +6163,11 @@ index = 440, label = "C4H7-2 + butene2 <=> C8H15-6", degeneracy = 2.0, - kinetics = Arrhenius( - A = (3700, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (53.7644, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3700,'cm^3/(mol*s)'), n=2.41, Ea=(53.7644,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CsH;CsJ-CdCsH """, ) @@ -8320,18 +6176,11 @@ index = 441, label = "C5H9 + butene2 <=> C9H17-3", degeneracy = 2.0, - kinetics = Arrhenius( - A = (480, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (49.6641, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(480,'cm^3/(mol*s)'), n=2.41, Ea=(49.6641,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CsH;CsJ-CdCsCs """, ) @@ -8340,18 +6189,11 @@ index = 442, label = "C5H7-3 + butene2 <=> C9H15-9", degeneracy = 2.0, - kinetics = Arrhenius( - A = (7480, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (73.7639, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7480,'cm^3/(mol*s)'), n=2.41, Ea=(73.7639,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CsH;CsJ-CdCdH """, ) @@ -8360,18 +6202,11 @@ index = 443, label = "C6H9-12 + butene2 <=> C10H17-4", degeneracy = 2.0, - kinetics = Arrhenius( - A = (2560, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (73.0108, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2560,'cm^3/(mol*s)'), n=2.41, Ea=(73.0108,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CsH;CsJ-CdCdCs """, ) @@ -8380,18 +6215,11 @@ index = 444, label = "C7H7-3 + butene2 <=> C11H15-10", degeneracy = 2.0, - kinetics = Arrhenius( - A = (9860, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (45.0198, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9860,'cm^3/(mol*s)'), n=2.41, Ea=(45.0198,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CsH;CsJ-CbHH """, ) @@ -8400,18 +6228,11 @@ index = 445, label = "C8H9 + butene2 <=> C12H17-7", degeneracy = 2.0, - kinetics = Arrhenius( - A = (2420, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (42.091, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2420,'cm^3/(mol*s)'), n=2.41, Ea=(42.091,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CsH;CsJ-CbCsH """, ) @@ -8420,18 +6241,11 @@ index = 446, label = "C9H11-15 + butene2 <=> C13H19-3", degeneracy = 2.0, - kinetics = Arrhenius( - A = (388, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (39.8735, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(388,'cm^3/(mol*s)'), n=2.41, Ea=(39.8735,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CsH;CsJ-CbCsCs """, ) @@ -8440,18 +6254,11 @@ index = 447, label = "C3H3 + butene2 <=> C7H11-18", degeneracy = 2.0, - kinetics = Arrhenius( - A = (9120, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.9738, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9120,'cm^3/(mol*s)'), n=2.41, Ea=(43.9738,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CsH;CsJ-CtHH """, ) @@ -8460,18 +6267,11 @@ index = 448, label = "C4H5-12 + butene2 <=> C8H13-14", degeneracy = 2.0, - kinetics = Arrhenius( - A = (2060, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (42.0492, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2060,'cm^3/(mol*s)'), n=2.41, Ea=(42.0492,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CsH;CsJ-CtCsH """, ) @@ -8480,18 +6280,11 @@ index = 449, label = "C5H7-5 + butene2 <=> C9H15-10", degeneracy = 2.0, - kinetics = Arrhenius( - A = (524, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (39.2041, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(524,'cm^3/(mol*s)'), n=2.41, Ea=(39.2041,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CsH;CsJ-CtCsCs """, ) @@ -8500,18 +6293,11 @@ index = 450, label = "C2H3 + butene2 <=> C6H11-9", degeneracy = 2.0, - kinetics = Arrhenius( - A = (13800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (12.4265, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(13800,'cm^3/(mol*s)'), n=2.41, Ea=(12.4265,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CsH;CdsJ-H """, ) @@ -8520,18 +6306,11 @@ index = 451, label = "C3H5 + butene2 <=> C7H13-10", degeneracy = 2.0, - kinetics = Arrhenius( - A = (7320, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (11.506, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7320,'cm^3/(mol*s)'), n=2.41, Ea=(11.506,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CsH;CdsJ-Cs """, ) @@ -8540,18 +6319,11 @@ index = 452, label = "C6H5 + butene2 <=> C10H13-11", degeneracy = 2.0, - kinetics = Arrhenius( - A = (21800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (2.42672, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(21800,'cm^3/(mol*s)'), n=2.41, Ea=(2.42672,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CsH;CbJ """, ) @@ -8560,18 +6332,11 @@ index = 453, label = "CH3 + C5H10 <=> C6H13-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (12700, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (26.8194, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(12700,'cm^3/(mol*s)'), n=2.41, Ea=(26.8194,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CsCs;CsJ-HHH """, ) @@ -8580,18 +6345,11 @@ index = 454, label = "C2H5 + C5H10 <=> C7H15-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1290, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (24.4346, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1290,'cm^3/(mol*s)'), n=2.41, Ea=(24.4346,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CsCs;CsJ-CsHH """, ) @@ -8600,18 +6358,11 @@ index = 455, label = "C5H10 + C3H7-2 <=> C8H17-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1030, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (19.4556, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1030,'cm^3/(mol*s)'), n=2.41, Ea=(19.4556,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CsCs;CsJ-CsCsH """, ) @@ -8620,18 +6371,11 @@ index = 456, label = "C5H10 + C4H9 <=> C9H19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (765, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (13.5143, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(765,'cm^3/(mol*s)'), n=2.41, Ea=(13.5143,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CsCs;CsJ-CsCsCs """, ) @@ -8640,18 +6384,11 @@ index = 457, label = "allyl + C5H10 <=> C8H15-7", degeneracy = 2.0, - kinetics = Arrhenius( - A = (26800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (53.1368, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(26800,'cm^3/(mol*s)'), n=2.41, Ea=(53.1368,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CsCs;CsJ-CdHH """, ) @@ -8660,18 +6397,11 @@ index = 458, label = "C4H7-2 + C5H10 <=> C9H17-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2330, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (52.1326, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2330,'cm^3/(mol*s)'), n=2.41, Ea=(52.1326,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CsCs;CsJ-CdCsH """, ) @@ -8680,18 +6410,11 @@ index = 459, label = "C5H9 + C5H10 <=> C10H19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (301, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (48.0742, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(301,'cm^3/(mol*s)'), n=2.41, Ea=(48.0742,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CsCs;CsJ-CdCsCs """, ) @@ -8700,18 +6423,11 @@ index = 460, label = "C5H7-3 + C5H10 <=> C10H17-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4700, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (72.174, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4700,'cm^3/(mol*s)'), n=2.41, Ea=(72.174,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CsCs;CsJ-CdCdH """, ) @@ -8720,18 +6436,11 @@ index = 461, label = "C6H9-12 + C5H10 <=> C11H19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (71.379, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1600,'cm^3/(mol*s)'), n=2.41, Ea=(71.379,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CsCs;CsJ-CdCdCs """, ) @@ -8740,18 +6449,11 @@ index = 462, label = "C7H7-3 + C5H10 <=> C12H17-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6210, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.4299, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6210,'cm^3/(mol*s)'), n=2.41, Ea=(43.4299,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CsCs;CsJ-CbHH """, ) @@ -8760,18 +6462,11 @@ index = 463, label = "C8H9 + C5H10 <=> C13H19-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1530, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (40.5011, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1530,'cm^3/(mol*s)'), n=2.41, Ea=(40.5011,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CsCs;CsJ-CbCsH """, ) @@ -8780,18 +6475,11 @@ index = 464, label = "C9H11-15 + C5H10 <=> C14H21", degeneracy = 1.0, - kinetics = Arrhenius( - A = (244, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (38.2418, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(244,'cm^3/(mol*s)'), n=2.41, Ea=(38.2418,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CsCs;CsJ-CbCsCs """, ) @@ -8800,18 +6488,11 @@ index = 465, label = "C3H3 + C5H10 <=> C8H13-15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5740, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (42.3839, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5740,'cm^3/(mol*s)'), n=2.41, Ea=(42.3839,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CsCs;CsJ-CtHH """, ) @@ -8820,18 +6501,11 @@ index = 466, label = "C4H5-12 + C5H10 <=> C9H15-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1290, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (40.4593, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1290,'cm^3/(mol*s)'), n=2.41, Ea=(40.4593,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CsCs;CsJ-CtCsH """, ) @@ -8840,18 +6514,11 @@ index = 467, label = "C5H7-5 + C5H10 <=> C10H17-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (330, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (37.5723, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(330,'cm^3/(mol*s)'), n=2.41, Ea=(37.5723,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CsCs;CsJ-CtCsCs """, ) @@ -8860,18 +6527,11 @@ index = 468, label = "C2H3 + C5H10 <=> C7H13-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8680, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (10.7947, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8680,'cm^3/(mol*s)'), n=2.41, Ea=(10.7947,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CsCs;CdsJ-H """, ) @@ -8880,18 +6540,11 @@ index = 469, label = "C3H5 + C5H10 <=> C8H15-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (9.91608, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4600,'cm^3/(mol*s)'), n=2.41, Ea=(9.91608,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CsCs;CdsJ-Cs """, ) @@ -8900,18 +6553,11 @@ index = 470, label = "C6H5 + C5H10 <=> C11H15-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (13700, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (0.8368, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(13700,'cm^3/(mol*s)'), n=2.41, Ea=(0.8368,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CsCs;CbJ """, ) @@ -8920,18 +6566,11 @@ index = 471, label = "CH3 + C5H8-2 <=> C6H11-10", degeneracy = 1.0, - kinetics = Arrhenius( - A = (11300, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (16.736, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(11300,'cm^3/(mol*s)'), n=2.41, Ea=(16.736,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CdH;CsJ-HHH """, ) @@ -8940,18 +6579,11 @@ index = 472, label = "C5H8-2 + C2H5 <=> C7H13-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1150, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (14.3511, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1150,'cm^3/(mol*s)'), n=2.41, Ea=(14.3511,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CdH;CsJ-CsHH """, ) @@ -8960,18 +6592,11 @@ index = 473, label = "C5H8-2 + C3H7-2 <=> C8H15-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (922, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (9.37216, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(922,'cm^3/(mol*s)'), n=2.41, Ea=(9.37216,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CdH;CsJ-CsCsH """, ) @@ -8980,18 +6605,11 @@ index = 474, label = "C5H8-2 + C4H9 <=> C9H17-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (683, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (3.43088, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(683,'cm^3/(mol*s)'), n=2.41, Ea=(3.43088,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CdH;CsJ-CsCsCs """, ) @@ -9000,18 +6618,11 @@ index = 475, label = "allyl + C5H8-2 <=> C8H13-16", degeneracy = 2.0, - kinetics = Arrhenius( - A = (23800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.0534, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(23800,'cm^3/(mol*s)'), n=2.41, Ea=(43.0534,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CdH;CsJ-CdHH """, ) @@ -9020,18 +6631,11 @@ index = 476, label = "C4H7-2 + C5H8-2 <=> C9H15-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2080, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (42.0492, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2080,'cm^3/(mol*s)'), n=2.41, Ea=(42.0492,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CdH;CsJ-CdCsH """, ) @@ -9040,18 +6644,11 @@ index = 477, label = "C5H9 + C5H8-2 <=> C10H17-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (269, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (37.9907, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(269,'cm^3/(mol*s)'), n=2.41, Ea=(37.9907,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CdH;CsJ-CdCsCs """, ) @@ -9060,18 +6657,11 @@ index = 478, label = "C5H8-2 + C5H7-3 <=> C10H15-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4190, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (62.0906, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4190,'cm^3/(mol*s)'), n=2.41, Ea=(62.0906,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CdH;CsJ-CdCdH """, ) @@ -9080,18 +6670,11 @@ index = 479, label = "C6H9-12 + C5H8-2 <=> C11H17-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1430, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (61.3374, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1430,'cm^3/(mol*s)'), n=2.41, Ea=(61.3374,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CdH;CsJ-CdCdCs """, ) @@ -9100,18 +6683,11 @@ index = 480, label = "C5H8-2 + C7H7-3 <=> C12H15-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5540, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (33.3465, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5540,'cm^3/(mol*s)'), n=2.41, Ea=(33.3465,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CdH;CsJ-CbHH """, ) @@ -9120,18 +6696,11 @@ index = 481, label = "C5H8-2 + C8H9 <=> C13H17-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1360, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (30.4177, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1360,'cm^3/(mol*s)'), n=2.41, Ea=(30.4177,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CdH;CsJ-CbCsH """, ) @@ -9140,18 +6709,11 @@ index = 482, label = "C5H8-2 + C9H11-15 <=> C14H19-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (218, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (28.1583, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(218,'cm^3/(mol*s)'), n=2.41, Ea=(28.1583,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CdH;CsJ-CbCsCs """, ) @@ -9160,18 +6722,11 @@ index = 483, label = "C3H3 + C5H8-2 <=> C8H11-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5120, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (32.3005, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5120,'cm^3/(mol*s)'), n=2.41, Ea=(32.3005,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CdH;CsJ-CtHH """, ) @@ -9180,18 +6735,11 @@ index = 484, label = "C4H5-12 + C5H8-2 <=> C9H13-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1150, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (30.3758, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1150,'cm^3/(mol*s)'), n=2.41, Ea=(30.3758,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CdH;CsJ-CtCsH """, ) @@ -9200,18 +6748,11 @@ index = 485, label = "C5H7-5 + C5H8-2 <=> C10H15-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (295, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (27.5307, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(295,'cm^3/(mol*s)'), n=2.41, Ea=(27.5307,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CdH;CsJ-CtCsCs """, ) @@ -9220,18 +6761,11 @@ index = 486, label = "C2H3 + C5H8-2 <=> C7H11-19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7740, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (0.71128, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7740,'cm^3/(mol*s)'), n=2.41, Ea=(0.71128,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CdH;CdsJ-H """, ) @@ -9240,18 +6774,11 @@ index = 487, label = "C3H5 + C5H8-2 <=> C8H13-17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4110, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-0.16736, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4110,'cm^3/(mol*s)'), n=2.41, Ea=(-0.16736,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CdH;CdsJ-Cs """, ) @@ -9260,18 +6787,11 @@ index = 488, label = "C5H8-2 + C6H5 <=> C11H13-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (12200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-9.24664, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(12200,'cm^3/(mol*s)'), n=2.41, Ea=(-9.24664,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CdH;CbJ """, ) @@ -9280,18 +6800,11 @@ index = 489, label = "CH3 + C6H10 <=> C7H13-13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (12800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (14.9787, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(12800,'cm^3/(mol*s)'), n=2.41, Ea=(14.9787,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CdCs;CsJ-HHH """, ) @@ -9300,18 +6813,11 @@ index = 490, label = "C6H10 + C2H5 <=> C8H15-10", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1300, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (12.5938, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1300,'cm^3/(mol*s)'), n=2.41, Ea=(12.5938,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CdCs;CsJ-CsHH """, ) @@ -9320,18 +6826,11 @@ index = 491, label = "C6H10 + C3H7-2 <=> C9H17-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1050, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (7.61488, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1050,'cm^3/(mol*s)'), n=2.41, Ea=(7.61488,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CdCs;CsJ-CsCsH """, ) @@ -9340,18 +6839,11 @@ index = 492, label = "C6H10 + C4H9 <=> C10H19-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (775, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (1.71544, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(775,'cm^3/(mol*s)'), n=2.41, Ea=(1.71544,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CdCs;CsJ-CsCsCs """, ) @@ -9360,18 +6852,11 @@ index = 493, label = "allyl + C6H10 <=> C9H15-13", degeneracy = 2.0, - kinetics = Arrhenius( - A = (27200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (41.2961, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(27200,'cm^3/(mol*s)'), n=2.41, Ea=(41.2961,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CdCs;CsJ-CdHH """, ) @@ -9380,18 +6865,11 @@ index = 494, label = "C6H10 + C4H7-2 <=> C10H17-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2360, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (40.2919, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2360,'cm^3/(mol*s)'), n=2.41, Ea=(40.2919,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CdCs;CsJ-CdCsH """, ) @@ -9400,18 +6878,11 @@ index = 495, label = "C6H10 + C5H9 <=> C11H19-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (305, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (36.2334, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(305,'cm^3/(mol*s)'), n=2.41, Ea=(36.2334,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CdCs;CsJ-CdCsCs """, ) @@ -9420,18 +6891,11 @@ index = 496, label = "C5H7-3 + C6H10 <=> C11H17-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4760, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (60.3333, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4760,'cm^3/(mol*s)'), n=2.41, Ea=(60.3333,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CdCs;CsJ-CdCdH """, ) @@ -9440,18 +6904,11 @@ index = 497, label = "C6H9-12 + C6H10 <=> C12H19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1630, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (59.5802, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1630,'cm^3/(mol*s)'), n=2.41, Ea=(59.5802,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CdCs;CsJ-CdCdCs """, ) @@ -9460,18 +6917,11 @@ index = 498, label = "C6H10 + C7H7-3 <=> C13H17-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6290, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (31.5892, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6290,'cm^3/(mol*s)'), n=2.41, Ea=(31.5892,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CdCs;CsJ-CbHH """, ) @@ -9480,18 +6930,11 @@ index = 499, label = "C6H10 + C8H9 <=> C14H19-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1550, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (28.6604, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1550,'cm^3/(mol*s)'), n=2.41, Ea=(28.6604,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 2002, 129, 253. in his reaction type 3. Based on the recommendations of [146] Allara, D.L.; Shaw, R. J Phys. Chem. Ref. Data 1980,9,523. @@ -9504,18 +6947,11 @@ index = 500, label = "C6H10 + C9H11-15 <=> C15H21", degeneracy = 1.0, - kinetics = Arrhenius( - A = (247, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (26.401, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(247,'cm^3/(mol*s)'), n=2.41, Ea=(26.401,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 2002, 129, 253. in his reaction type 3. Based on the recommendations of [146] Allara, D.L.; Shaw, R. J Phys. Chem. Ref. Data 1980,9,523. @@ -9528,18 +6964,11 @@ index = 501, label = "C3H3 + C6H10 <=> C9H13-10", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5810, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (30.5432, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5810,'cm^3/(mol*s)'), n=2.41, Ea=(30.5432,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 2002, 129, 253. in his reaction type 3. Based on the recommendations of [146] Allara, D.L.; Shaw, R. J Phys. Chem. Ref. Data 1980,9,523. @@ -9552,18 +6981,11 @@ index = 502, label = "C4H5-12 + C6H10 <=> C10H15-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1310, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (28.6186, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1310,'cm^3/(mol*s)'), n=2.41, Ea=(28.6186,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 2002, 129, 253. in his reaction type 3. Based on the recommendations of [146] Allara, D.L.; Shaw, R. J Phys. Chem. Ref. Data 1980,9,523. @@ -9576,18 +6998,11 @@ index = 503, label = "C5H7-5 + C6H10 <=> C11H17-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (334, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (25.7734, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(334,'cm^3/(mol*s)'), n=2.41, Ea=(25.7734,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 2002, 129, 253. in his reaction type 3. Based on the recommendations of [146] Allara, D.L.; Shaw, R. J Phys. Chem. Ref. Data 1980,9,523. @@ -9600,18 +7015,11 @@ index = 504, label = "C2H3 + C6H10 <=> C8H13-18", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8790, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-1.00416, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8790,'cm^3/(mol*s)'), n=2.41, Ea=(-1.00416,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 2002, 129, 253. in his reaction type 3. Based on the recommendations of [146] Allara, D.L.; Shaw, R. J Phys. Chem. Ref. Data 1980,9,523. @@ -9624,18 +7032,11 @@ index = 505, label = "C3H5 + C6H10 <=> C9H15-14", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4660, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-1.92464, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4660,'cm^3/(mol*s)'), n=2.41, Ea=(-1.92464,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 2002, 129, 253. in his reaction type 20. Based on the recommendations of [146] Allara, D.L.; Shaw, R. J Phys. Chem. Ref. Data 1980,9,523. @@ -9648,18 +7049,11 @@ index = 506, label = "C6H10 + C6H5 <=> C12H15-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (13900, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-11.0039, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(13900,'cm^3/(mol*s)'), n=2.41, Ea=(-11.0039,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 2002, 129, 253. in his reaction type 20. Based on the recommendations of [146] Allara, D.L.; Shaw, R. J Phys. Chem. Ref. Data 1980,9,523. @@ -9672,18 +7066,11 @@ index = 507, label = "CH3 + C7H10-3 <=> C8H13-19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (39100, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (11.2131, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(39100,'cm^3/(mol*s)'), n=2.41, Ea=(11.2131,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 2002, 129, 253. in his reaction type 20. Based on the recommendations of [146] Allara, D.L.; Shaw, R. J Phys. Chem. Ref. Data 1980,9,523. @@ -9696,18 +7083,11 @@ index = 508, label = "C7H10-3 + C2H5 <=> C9H15-15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3980, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (8.82824, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3980,'cm^3/(mol*s)'), n=2.41, Ea=(8.82824,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [94] Baulch,D.L.; Cobos,C.J.;Cox,R.A;Frank,P.;Hayman,G.;Just,T.;Kerr,J.A.;Murells,T.;Philling,M.J.;Troe,J.;Walker,R.W.; Warnatz, J. J Phys Chem. Ref. Data 1994,23,847. literature review. C2H4 + H --> C2H5. C.D.W. divided rate expression by 2, to get rate of addition per site pg.916-920: Discussion on evaluated data @@ -9727,18 +7107,11 @@ index = 509, label = "C7H10-3 + C3H7-2 <=> C10H17-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3190, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (3.84928, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3190,'cm^3/(mol*s)'), n=2.41, Ea=(3.84928,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [89] Tsang, W.; Hampson, R.F. J. Phys. Chem. Ref. Data 1986, 15, 1087. literature review. C2H4 + CH3 --> n-C3H7. C.D.W. divided rate expression by 2, to get rate of addition per site pg. 1191: Discussion on evaluated data @@ -9757,18 +7130,11 @@ index = 510, label = "C7H10-3 + C4H9 <=> C11H19-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2360, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-2.092, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2360,'cm^3/(mol*s)'), n=2.41, Ea=(-2.092,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [147] Knyazev,V.D.;Slagle,I.R. J Phys. Chem. 1996 100, 5318. Pressure up to 10 atm. Excitation; thermal, analysis: mass spectrometry. C2H4 + C2H5--> n-C4H9. C.D.W. divided rate expression by 2, to get rate of addtion per site @@ -9780,18 +7146,11 @@ index = 511, label = "C7H10-3 + allyl <=> C10H15-9", degeneracy = 2.0, - kinetics = Arrhenius( - A = (82600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (37.5305, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(82600,'cm^3/(mol*s)'), n=2.41, Ea=(37.5305,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [90] Tsang,W.J. Phys. Chem. Ref. Data 1987,16,471. literature review. C2H4+ CH2OH --> CH2CH2CH2OH C.D.W. divided rate expression by 2, to get rate of addition per site pg. 502: Discussion on evaluated data @@ -9810,18 +7169,11 @@ index = 512, label = "C7H10-3 + C4H7-2 <=> C11H17-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (36.5263, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7200,'cm^3/(mol*s)'), n=2.41, Ea=(36.5263,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [148] Weissman and Benson. Estimated values. Activation energy is a lower limit. Pressure 1.00 atm. C2H4 + C2H3 --> CH2=CHCH2CH2 C.D.W. divided rate expression by 2, to get rate of addition per site @@ -9833,18 +7185,11 @@ index = 513, label = "C7H10-3 + C5H9 <=> C12H19-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (931, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (32.4678, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(931,'cm^3/(mol*s)'), n=2.41, Ea=(32.4678,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [89] Tsang et al. Literature Review. C2H4 + OH --> CH2CH2OH C.D.W. divided rate expression by 2, to get rate of addition per site @@ -9870,18 +7215,11 @@ index = 514, label = "C5H7-3 + C7H10-3 <=> C12H17-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (14500, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (56.5677, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(14500,'cm^3/(mol*s)'), n=2.41, Ea=(56.5677,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [149] Tsang experiments and limited review. CH3CH=CH2 + H --> iso-C3H7 Converted to training reaction from rate rule: Cds-CsH_Cds-CdCd;CsJ-CdCdH @@ -9892,18 +7230,11 @@ index = 515, label = "C6H9-12 + C7H10-3 <=> C13H19-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4950, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (55.8146, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4950,'cm^3/(mol*s)'), n=2.41, Ea=(55.8146,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [150] Knayzev et al. Data derived from fitting to a complex mechanism. Pressure up to 10 atm. Excitation : flash photolysis, analysis : mass spectrometry CH3CH=CH2 + CH3 --> sec-C4H9 @@ -9915,18 +7246,11 @@ index = 516, label = "C7H10-3 + C7H7-3 <=> C14H17-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (19200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (27.8236, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(19200,'cm^3/(mol*s)'), n=2.41, Ea=(27.8236,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [93] Tsang literature review. CH3CH=CH2 + CH3 --> sec-C4H9 pg.237-239: Discussion on evaluated data @@ -9944,18 +7268,11 @@ index = 517, label = "C7H10-3 + C8H9 <=> C15H19-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4710, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (24.8948, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4710,'cm^3/(mol*s)'), n=2.41, Ea=(24.8948,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [151] Barbe et al. Data is estimated. Pressure 0.04-0.26 atm. CH3CH=CH2 + .CH2CH=CH2 --> CH3CH(.)CH2CH2CH=CH2 Converted to training reaction from rate rule: Cds-CsH_Cds-CdCd;CsJ-CbCsH @@ -9966,18 +7283,11 @@ index = 518, label = "C7H10-3 + C9H11-15 <=> C16H21", degeneracy = 1.0, - kinetics = Arrhenius( - A = (754, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (22.6354, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(754,'cm^3/(mol*s)'), n=2.41, Ea=(22.6354,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [93] Tsang literature review. CH3CH=CH2 + tert-C4H9 --> (CH3)3CCH2CH(.)CH3 pg.247: Discussion on evaluated data @@ -9994,18 +7304,11 @@ index = 519, label = "C3H3 + C7H10-3 <=> C10H13-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (17700, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (26.7776, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(17700,'cm^3/(mol*s)'), n=2.41, Ea=(26.7776,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [152] Perrin et al. Data is estimated. Pressure 0.01-0.13 atm. CH2=CHCH=CH2 + .CH3 --> CH2CH=CHCH2CH3 C.D.W. divied rate expression by 2, to get rate of addition per site. @@ -10017,18 +7320,11 @@ index = 520, label = "C4H5-12 + C7H10-3 <=> C11H15-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3990, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (24.853, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3990,'cm^3/(mol*s)'), n=2.41, Ea=(24.853,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [153] Knayzev et al. Pressure ~ 0.01 atm. Excitation : thermal, analysis : GC Iso-C4H8 + CH3 --> (CH3)2CCH2CH3 Converted to training reaction from rate rule: Cds-CsH_Cds-CdCd;CsJ-CtCsH @@ -10039,18 +7335,11 @@ index = 521, label = "C5H7-5 + C7H10-3 <=> C12H17-10", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1020, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (22.0078, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1020,'cm^3/(mol*s)'), n=2.41, Ea=(22.0078,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [303] Seres et al. Data derived from fitting to a complex mechanism. Excitation : thermal, analysis : GC Iso-C4H8 + CH3 --> (CH3)2CCH2CH3 Converted to training reaction from rate rule: Cds-CsH_Cds-CdCd;CsJ-CtCsCs @@ -10061,18 +7350,11 @@ index = 522, label = "C2H3 + C7H10-3 <=> C9H13-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (26800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-4.8116, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(26800,'cm^3/(mol*s)'), n=2.41, Ea=(-4.8116,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [149] Tsang experiments and limited review. CH3CH=CH2 + H --> n-C3H7 Converted to training reaction from rate rule: Cds-CsH_Cds-CdCd;CdsJ-H @@ -10083,18 +7365,11 @@ index = 523, label = "C3H5 + C7H10-3 <=> C10H15-10", degeneracy = 1.0, - kinetics = Arrhenius( - A = (14200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-5.69024, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(14200,'cm^3/(mol*s)'), n=2.41, Ea=(-5.69024,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [147] Knyazev et al. Pressure up to 10 atm. Excitation : thermal, analysis : mass spectrometry. CH3CH=CH2 + CH3 --> iso-C4H9 @@ -10106,18 +7381,11 @@ index = 524, label = "C7H10-3 + C6H5 <=> C13H15-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (42300, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-14.7695, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(42300,'cm^3/(mol*s)'), n=2.41, Ea=(-14.7695,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [93] literature review. CH3CH=CH2 + CH3 --> iso-C4H9 pg.237-239: Discussion on evaluated data @@ -10135,18 +7403,11 @@ index = 525, label = "CH3 + C9H10-7 <=> C10H13-13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3690, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (24.0998, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3690,'cm^3/(mol*s)'), n=2.41, Ea=(24.0998,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [155] Slagle et al. Data deriver from detailed balance/reverse rate. Pressure ~ 0.01 atm. Iso-C4H8 + .CH3 --> (CH3)3CCH2 @@ -10158,18 +7419,11 @@ index = 526, label = "C2H5 + C9H10-7 <=> C11H15-13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (375, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (21.715, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(375,'cm^3/(mol*s)'), n=2.41, Ea=(21.715,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [8] Curran et al. in his reaction type 3. Based on recommendations of Allara and Shaw. [146] Converted to training reaction from rate rule: Cds-CsH_Cds-CbH;CsJ-CsHH @@ -10180,18 +7434,11 @@ index = 527, label = "C9H10-7 + C3H7-2 <=> C12H17-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (301, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (16.6942, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(301,'cm^3/(mol*s)'), n=2.41, Ea=(16.6942,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [8] Curran et al. in his reaction type 3. Based on recommendations of Allara and Shaw. [146] Converted to training reaction from rate rule: Cds-CsH_Cds-CbH;CsJ-CsCsH @@ -10202,18 +7449,11 @@ index = 528, label = "C9H10-7 + C4H9 <=> C13H19-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (223, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (10.7947, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(223,'cm^3/(mol*s)'), n=2.41, Ea=(10.7947,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [8] Curran et al. in his reaction type 3. Based on recommendations of Allara and Shaw. [146] Converted to training reaction from rate rule: Cds-CsH_Cds-CbH;CsJ-CsCsCs @@ -10224,18 +7464,11 @@ index = 529, label = "allyl + C9H10-7 <=> C12H15-9", degeneracy = 2.0, - kinetics = Arrhenius( - A = (7800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (50.4172, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7800,'cm^3/(mol*s)'), n=2.41, Ea=(50.4172,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [8] Curran et al. in his reaction type 3. Based on recommendations of Allara and Shaw. [146] Converted to training reaction from rate rule: Cds-CsH_Cds-CbH;CsJ-CdHH @@ -10246,18 +7479,11 @@ index = 530, label = "C4H7-2 + C9H10-7 <=> C13H17-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (679, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (49.413, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(679,'cm^3/(mol*s)'), n=2.41, Ea=(49.413,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [8] Curran et al. in his reaction type 3. Based on recommendations of Allara and Shaw. [146] Converted to training reaction from rate rule: Cds-CsH_Cds-CbH;CsJ-CdCsH @@ -10268,18 +7494,11 @@ index = 531, label = "C5H9 + C9H10-7 <=> C14H19-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (87.8, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (45.3127, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(87.8,'cm^3/(mol*s)'), n=2.41, Ea=(45.3127,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CbH;CsJ-CdCsCs """, ) @@ -10288,18 +7507,11 @@ index = 532, label = "C5H7-3 + C9H10-7 <=> C14H17-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1370, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (69.4126, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1370,'cm^3/(mol*s)'), n=2.41, Ea=(69.4126,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [156] Scherzer et al. Data derived from fitting to a complex mechanism. Pressure 0.04 atm. Excitation: thermal, analysis: GC. CH2=C=CH2 + .CH3 --> CH3CH2C=CH2 @@ -10311,18 +7523,11 @@ index = 533, label = "C6H9-12 + C9H10-7 <=> C15H19-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (467, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (68.6594, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(467,'cm^3/(mol*s)'), n=2.41, Ea=(68.6594,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [157] Tsang et al. Absolute Value Measured directly. Pressure 2 - 7 atm. Excitation: thermal, analysis : GC. CH2=C=CH2 + H --> .CH2CH=CH2 @@ -10334,18 +7539,11 @@ index = 534, label = "C7H7-3 + C9H10-7 <=> C16H17-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1810, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (40.6685, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1810,'cm^3/(mol*s)'), n=2.41, Ea=(40.6685,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [158] Tsang. Data is estimated. Pressure 1.50-5.00 atm. CH2=C=CH2 + CH3 --> CH2C(CH3)=CH2 Converted to training reaction from rate rule: Cds-CsH_Cds-CbH;CsJ-CbHH @@ -10356,18 +7554,11 @@ index = 535, label = "C8H9 + C9H10-7 <=> C17H19-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (445, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (37.7397, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(445,'cm^3/(mol*s)'), n=2.41, Ea=(37.7397,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [8] Curran et al. In his reaction type 18. Converted to training reaction from rate rule: Cds-CsH_Cds-CbH;CsJ-CbCsH @@ -10378,18 +7569,11 @@ index = 536, label = "C9H11-15 + C9H10-7 <=> C18H21-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (71.1, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (35.5222, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(71.1,'cm^3/(mol*s)'), n=2.41, Ea=(35.5222,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [8] Curran et al. In his reaction type 18. Converted to training reaction from rate rule: Cds-CsH_Cds-CbH;CsJ-CbCsCs @@ -10400,18 +7584,11 @@ index = 537, label = "C3H3 + C9H10-7 <=> C12H13-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1670, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (39.6225, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1670,'cm^3/(mol*s)'), n=2.41, Ea=(39.6225,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [144] Bozzelli et al. Based upon CH3 addition to CO (Anastasi and Maw) Converted to training reaction from rate rule: Cds-CsH_Cds-CbH;CsJ-CtHH @@ -10422,18 +7599,11 @@ index = 538, label = "C4H5-12 + C9H10-7 <=> C13H15-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (377, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (37.6978, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(377,'cm^3/(mol*s)'), n=2.41, Ea=(37.6978,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [159] Curran et al. His estimation in DME oxidation modeling for ketohydroperoxide decomposition. H2CO + HCO2. (formic acid radical) --> + .OCH2OCHO (ester) (Rxn. 338, p. 234) @@ -10447,18 +7617,11 @@ index = 539, label = "C5H7-5 + C9H10-7 <=> C14H17-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (96.1, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (34.8527, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(96.1,'cm^3/(mol*s)'), n=2.41, Ea=(34.8527,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [160] Knoll et al. Data derived from fitting to a complex mechanism. Pressure 0.08 atm. Excitation : direct photolysis, analysis : mass spectrometry. N-C3H7 + C2HO --> N-C4H9O @@ -10470,18 +7633,11 @@ index = 540, label = "C2H3 + C9H10-7 <=> C11H13-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2530, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (8.07512, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2530,'cm^3/(mol*s)'), n=2.41, Ea=(8.07512,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [161] Knoll et al. Absolute value measured directly. Pressure 0.28 - 1.17 atm. Excitation : thermal, analysis : mass spectrometry. (CH3)2CO + .CH3 --> (CH3)3CO @@ -10493,18 +7649,11 @@ index = 541, label = "C3H5 + C9H10-7 <=> C12H15-10", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1340, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (7.15464, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1340,'cm^3/(mol*s)'), n=2.41, Ea=(7.15464,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [134] Warnatz literature review. C.D.W divided rate expression by 2, to get rate of addition per site. C2H2 + H --> C2H3 @@ -10516,18 +7665,11 @@ index = 542, label = "C6H5 + C9H10-7 <=> C15H15-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3990, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-1.92464, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3990,'cm^3/(mol*s)'), n=2.41, Ea=(-1.92464,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [162] E.W.Diau and M.C.Lin. RRK(M) extrapolation. C.D.W divided rate expression by 2, to get rate of addition per site. C2H2 + CH3 --> CH3CH=CH @@ -10539,18 +7681,11 @@ index = 543, label = "CH3 + C10H12 <=> C11H15-14", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7840, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (23.4304, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7840,'cm^3/(mol*s)'), n=2.41, Ea=(23.4304,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [163] Kerr et al. literature review. Pressure 0.03-0.20 atm. C.D.W divided rate expression by 2, to get rate of addition per site. C2H2 + .C2H5 --> CH3CH2CH=CH @@ -10562,18 +7697,11 @@ index = 544, label = "C2H5 + C10H12 <=> C12H17-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (796, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (21.0455, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(796,'cm^3/(mol*s)'), n=2.41, Ea=(21.0455,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [93] Tsang et al. literature review. Pressure 0.03-0.20 atm. C.D.W divided rate expression by 2, to get rate of addition per site. C2H2 + .CH2CH=CH2 --> CHCH2CH=CH @@ -10593,18 +7721,11 @@ index = 545, label = "C10H12 + C3H7-2 <=> C13H19-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (638, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (16.0247, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(638,'cm^3/(mol*s)'), n=2.41, Ea=(16.0247,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [163] Kerr et al. literature review. Pressure 0.07-0.13 atm. C.D.W divided rate expression by 2, to get rate of addition per site. C2H2 + Iso-C3H7 --> (CH3)2CHCH=CH @@ -10616,18 +7737,11 @@ index = 546, label = "C10H12 + C4H9 <=> C14H21-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (473, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (10.1253, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(473,'cm^3/(mol*s)'), n=2.41, Ea=(10.1253,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [164] Dominguez et al. Data derived from fitting to a complex mechanism. Pressure 0.01-0.32 atm. Excitation : direct photolysis, analysis : GC. C2H2 + Tert-C4H9 --> (CH3)3CCH=CH C.D.W divided rate expression by 2, to get rate of addition per site. @@ -10639,18 +7753,11 @@ index = 547, label = "allyl + C10H12 <=> C13H17-8", degeneracy = 2.0, - kinetics = Arrhenius( - A = (16540, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (49.7478, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(16540,'cm^3/(mol*s)'), n=2.41, Ea=(49.7478,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [121] Weissman et al. Transition state theory. C.D.W divided rate expression by 2, to get rate of addition per site. C2H2 + C2H3 --> CH2=CHCH=CH. @@ -10662,18 +7769,11 @@ index = 548, label = "C4H7-2 + C10H12 <=> C14H19-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1440, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (48.7436, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1440,'cm^3/(mol*s)'), n=2.41, Ea=(48.7436,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [165] Duran et al. Ab initio. C.D.W divided rate expression by 2, to get rate of addition per site. C2H2 + C2H3 --> CH2=CHCH=CH. (Rxn. -5?) @@ -10687,18 +7787,11 @@ index = 549, label = "C5H9 + C10H12 <=> C15H21-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (186, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (44.6433, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(186,'cm^3/(mol*s)'), n=2.41, Ea=(44.6433,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [165] Duran et al. Ab initio. C.D.W divided rate expression by 2, to get rate of addition per site. C2H2 + CCH --> HC(tb)CCH=CH. (Rxn. 18?) @@ -10713,18 +7806,11 @@ index = 550, label = "C5H7-3 + C10H12 <=> C15H19-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2900, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (68.7431, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2900,'cm^3/(mol*s)'), n=2.41, Ea=(68.7431,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [95] Baulch et al. literature review. C.D.W divided rate expression by 2, to get rate of addition per site. C2H2 + .OH --> HOCH=CH @@ -10747,18 +7833,11 @@ index = 551, label = "C6H9-12 + C10H12 <=> C16H21-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (991, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (67.99, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(991,'cm^3/(mol*s)'), n=2.41, Ea=(67.99,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [166] Miller et al. Transition State Theory. C.D.W divided rate expression by 2, to get rate of addition per site. Same reaction as #332, #333 ranked as more accurate in rate library than #332, but they are both from relatively old sources from the early '90s. @@ -10772,18 +7851,11 @@ index = 552, label = "C7H7-3 + C10H12 <=> C17H19-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3830, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (39.999, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3830,'cm^3/(mol*s)'), n=2.41, Ea=(39.999,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [144] Bozzelli et al. Based upon CH3 addition to C2H2 (NIST) Converted to training reaction from rate rule: Cds-CsH_Cds-CbCs;CsJ-CbHH @@ -10794,18 +7866,11 @@ index = 553, label = "C10H12 + C8H9 <=> C18H21-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (943, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (37.0702, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(943,'cm^3/(mol*s)'), n=2.41, Ea=(37.0702,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Cds-CbCs;CsJ-CbCsH @@ -10816,18 +7881,11 @@ index = 554, label = "C9H11-15 + C10H12 <=> C19H23", degeneracy = 1.0, - kinetics = Arrhenius( - A = (151, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (34.8527, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(151,'cm^3/(mol*s)'), n=2.41, Ea=(34.8527,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Cds-CbCs;CsJ-CbCsCs @@ -10838,18 +7896,11 @@ index = 555, label = "C3H3 + C10H12 <=> C13H15-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3540, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (38.953, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3540,'cm^3/(mol*s)'), n=2.41, Ea=(38.953,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Cds-CbCs;CsJ-CtHH @@ -10860,18 +7911,11 @@ index = 556, label = "C4H5-12 + C10H12 <=> C14H17-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (799, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (37.0284, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(799,'cm^3/(mol*s)'), n=2.41, Ea=(37.0284,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Cds-CbCs;CsJ-CtCsH @@ -10882,18 +7926,11 @@ index = 557, label = "C5H7-5 + C10H12 <=> C15H19-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (204, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (34.1833, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(204,'cm^3/(mol*s)'), n=2.41, Ea=(34.1833,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Cds-CbCs;CsJ-CtCsCs @@ -10904,18 +7941,11 @@ index = 558, label = "C2H3 + C10H12 <=> C12H15-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5360, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (7.40568, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5360,'cm^3/(mol*s)'), n=2.41, Ea=(7.40568,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Cds-CbCs;CdsJ-H @@ -10926,18 +7956,11 @@ index = 559, label = "C3H5 + C10H12 <=> C13H17-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2840, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (6.4852, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2840,'cm^3/(mol*s)'), n=2.41, Ea=(6.4852,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Cds-CbCs;CdsJ-Cs @@ -10948,18 +7971,11 @@ index = 560, label = "C6H5 + C10H12 <=> C16H17-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8470, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-2.59408, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8470,'cm^3/(mol*s)'), n=2.41, Ea=(-2.59408,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Cds-CbCs;CbJ @@ -10970,18 +7986,11 @@ index = 561, label = "C5H6-4 + CH3 <=> C6H9-19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (14700, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (16.1084, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(14700,'cm^3/(mol*s)'), n=2.41, Ea=(16.1084,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Cds-CtH;CsJ-HHH @@ -10992,18 +8001,11 @@ index = 562, label = "C5H6-4 + C2H5 <=> C7H11-20", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1490, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (13.7235, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1490,'cm^3/(mol*s)'), n=2.41, Ea=(13.7235,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Cds-CtH;CsJ-CsHH @@ -11014,18 +8016,11 @@ index = 563, label = "C5H6-4 + C3H7-2 <=> C8H13-20", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (8.70272, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1200,'cm^3/(mol*s)'), n=2.41, Ea=(8.70272,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Cds-CtH;CsJ-CsCsH @@ -11036,18 +8031,11 @@ index = 564, label = "C5H6-4 + C4H9 <=> C9H15-16", degeneracy = 1.0, - kinetics = Arrhenius( - A = (885, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (2.80328, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(885,'cm^3/(mol*s)'), n=2.41, Ea=(2.80328,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Cds-CtH;CsJ-CsCsCs @@ -11058,18 +8046,11 @@ index = 565, label = "C5H6-4 + allyl <=> C8H11-10", degeneracy = 2.0, - kinetics = Arrhenius( - A = (31000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (42.4258, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(31000,'cm^3/(mol*s)'), n=2.41, Ea=(42.4258,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Cds-CtH;CsJ-CdHH @@ -11080,18 +8061,11 @@ index = 566, label = "C5H6-4 + C4H7-2 <=> C9H13-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2700, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (41.4216, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2700,'cm^3/(mol*s)'), n=2.41, Ea=(41.4216,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Cds-CtH;CsJ-CdCsH @@ -11102,18 +8076,11 @@ index = 567, label = "C5H6-4 + C5H9 <=> C10H15-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (349, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (37.3213, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(349,'cm^3/(mol*s)'), n=2.41, Ea=(37.3213,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Cds-CtH;CsJ-CdCsCs @@ -11124,18 +8091,11 @@ index = 568, label = "C5H6-4 + C5H7-3 <=> C10H13-14", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5440, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (61.4211, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5440,'cm^3/(mol*s)'), n=2.41, Ea=(61.4211,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Cds-CtH;CsJ-CdCdH @@ -11146,18 +8106,11 @@ index = 569, label = "C5H6-4 + C6H9-12 <=> C11H15-15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1860, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (60.668, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1860,'cm^3/(mol*s)'), n=2.41, Ea=(60.668,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Cds-CtH;CsJ-CdCdCs @@ -11168,18 +8121,11 @@ index = 570, label = "C5H6-4 + C7H7-3 <=> C12H13-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7180, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (32.677, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7180,'cm^3/(mol*s)'), n=2.41, Ea=(32.677,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Cds-CtH;CsJ-CbHH @@ -11190,18 +8136,11 @@ index = 571, label = "C5H6-4 + C8H9 <=> C13H15-10", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1770, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (29.7901, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1770,'cm^3/(mol*s)'), n=2.41, Ea=(29.7901,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Cds-CtH;CsJ-CbCsH @@ -11212,18 +8151,11 @@ index = 572, label = "C5H6-4 + C9H11-15 <=> C14H17-10", degeneracy = 1.0, - kinetics = Arrhenius( - A = (283, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (27.5307, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(283,'cm^3/(mol*s)'), n=2.41, Ea=(27.5307,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Cds-CtH;CsJ-CbCsCs @@ -11234,18 +8166,11 @@ index = 573, label = "C3H3 + C5H6-4 <=> C8H9-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6640, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (31.6729, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6640,'cm^3/(mol*s)'), n=2.41, Ea=(31.6729,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Cds-CtH;CsJ-CtHH @@ -11256,18 +8181,11 @@ index = 574, label = "C5H6-4 + C4H5-12 <=> C9H11-20", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1500, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (29.7064, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1500,'cm^3/(mol*s)'), n=2.41, Ea=(29.7064,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Cds-CtH;CsJ-CtCsH @@ -11278,18 +8196,11 @@ index = 575, label = "C5H6-4 + C5H7-5 <=> C10H13-15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (382, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (26.8613, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(382,'cm^3/(mol*s)'), n=2.41, Ea=(26.8613,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Cds-CtH;CsJ-CtCsCs @@ -11300,18 +8211,11 @@ index = 576, label = "C5H6-4 + C2H3 <=> C7H9-35", degeneracy = 1.0, - kinetics = Arrhenius( - A = (10000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (0.08368, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(10000,'cm^3/(mol*s)'), n=2.41, Ea=(0.08368,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Cds-CtH;CdsJ-H @@ -11322,18 +8226,11 @@ index = 577, label = "C5H6-4 + C3H5 <=> C8H11-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5320, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-0.79496, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5320,'cm^3/(mol*s)'), n=2.41, Ea=(-0.79496,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Cds-CtH;CdsJ-Cs @@ -11344,18 +8241,11 @@ index = 578, label = "C5H6-4 + C6H5 <=> C11H11-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (15900, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-9.91608, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(15900,'cm^3/(mol*s)'), n=2.41, Ea=(-9.91608,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Cds-CtH;CbJ @@ -11366,18 +8256,11 @@ index = 579, label = "C6H8-8 + CH3 <=> C7H11-21", degeneracy = 1.0, - kinetics = Arrhenius( - A = (15000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (15.7318, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(15000,'cm^3/(mol*s)'), n=2.41, Ea=(15.7318,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Cds-CtCs;CsJ-HHH @@ -11388,18 +8271,11 @@ index = 580, label = "C6H8-8 + C2H5 <=> C8H13-21", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1530, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (13.347, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1530,'cm^3/(mol*s)'), n=2.41, Ea=(13.347,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Cds-CtCs;CsJ-CsHH @@ -11410,18 +8286,11 @@ index = 581, label = "C6H8-8 + C3H7-2 <=> C9H15-17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1220, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (8.368, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1220,'cm^3/(mol*s)'), n=2.41, Ea=(8.368,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Cds-CtCs;CsJ-CsCsH @@ -11432,18 +8301,11 @@ index = 582, label = "C6H8-8 + C4H9 <=> C10H17-10", degeneracy = 1.0, - kinetics = Arrhenius( - A = (906, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (2.42672, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(906,'cm^3/(mol*s)'), n=2.41, Ea=(2.42672,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Cds-CtCs;CsJ-CsCsCs @@ -11454,18 +8316,11 @@ index = 583, label = "C6H8-8 + allyl <=> C9H13-13", degeneracy = 2.0, - kinetics = Arrhenius( - A = (31800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (42.0492, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(31800,'cm^3/(mol*s)'), n=2.41, Ea=(42.0492,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Cds-CtCs;CsJ-CdHH @@ -11476,18 +8331,11 @@ index = 584, label = "C6H8-8 + C4H7-2 <=> C10H15-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2760, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (41.045, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2760,'cm^3/(mol*s)'), n=2.41, Ea=(41.045,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Cds-CtCs;CsJ-CdCsH @@ -11498,18 +8346,11 @@ index = 585, label = "C6H8-8 + C5H9 <=> C11H17-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (357, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (36.9866, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(357,'cm^3/(mol*s)'), n=2.41, Ea=(36.9866,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Cds-CtCs;CsJ-CdCsCs @@ -11520,18 +8361,11 @@ index = 586, label = "C6H8-8 + C5H7-3 <=> C11H15-16", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5570, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (61.0864, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5570,'cm^3/(mol*s)'), n=2.41, Ea=(61.0864,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Cds-CtCs;CsJ-CdCdH @@ -11542,18 +8376,11 @@ index = 587, label = "C6H8-8 + C6H9-12 <=> C12H17-13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1900, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (60.3333, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1900,'cm^3/(mol*s)'), n=2.41, Ea=(60.3333,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Cds-CtCs;CsJ-CdCdCs @@ -11564,18 +8391,11 @@ index = 588, label = "C6H8-8 + C7H7-3 <=> C13H15-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7350, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (32.3423, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7350,'cm^3/(mol*s)'), n=2.41, Ea=(32.3423,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Cds-CtCs;CsJ-CbHH @@ -11586,18 +8406,11 @@ index = 589, label = "C6H8-8 + C8H9 <=> C14H17-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1810, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (29.4135, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1810,'cm^3/(mol*s)'), n=2.41, Ea=(29.4135,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Cds-CtCs;CsJ-CbCsH @@ -11608,18 +8421,11 @@ index = 590, label = "C6H8-8 + C9H11-15 <=> C15H19-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (289, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (27.1542, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(289,'cm^3/(mol*s)'), n=2.41, Ea=(27.1542,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Cds-CtCs;CsJ-CbCsCs @@ -11630,18 +8436,11 @@ index = 591, label = "C6H8-8 + C3H3 <=> C9H11-21", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6790, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (31.2963, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6790,'cm^3/(mol*s)'), n=2.41, Ea=(31.2963,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Cds-CtCs;CsJ-CtHH @@ -11652,18 +8451,11 @@ index = 592, label = "C4H5-12 + C6H8-8 <=> C10H13-16", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1530, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (29.3717, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1530,'cm^3/(mol*s)'), n=2.41, Ea=(29.3717,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Cds-CtCs;CsJ-CtCsH @@ -11674,18 +8466,11 @@ index = 593, label = "C5H7-5 + C6H8-8 <=> C11H15-17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (391, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (26.5266, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(391,'cm^3/(mol*s)'), n=2.41, Ea=(26.5266,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Cds-CtCs;CsJ-CtCsCs @@ -11696,18 +8481,11 @@ index = 594, label = "C6H8-8 + C2H3 <=> C8H11-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (10300, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-0.29288, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(10300,'cm^3/(mol*s)'), n=2.41, Ea=(-0.29288,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Cds-CtCs;CdsJ-H @@ -11718,18 +8496,11 @@ index = 595, label = "C6H8-8 + C3H5 <=> C9H13-14", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5450, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-1.17152, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5450,'cm^3/(mol*s)'), n=2.41, Ea=(-1.17152,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Cds-CtCs;CdsJ-Cs @@ -11740,18 +8511,11 @@ index = 596, label = "C6H8-8 + C6H5 <=> C12H13-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (16200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-10.2508, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(16200,'cm^3/(mol*s)'), n=2.41, Ea=(-10.2508,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Cds-CtCs;CbJ @@ -11762,18 +8526,11 @@ index = 597, label = "CH3 + C4H6-3 <=> C5H9-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (10800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (32.1331, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(10800,'cm^3/(mol*s)'), n=2.41, Ea=(32.1331,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Ca;CsJ-HHH @@ -11784,18 +8541,11 @@ index = 598, label = "C4H6-3 + C2H5 <=> C6H11-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1100, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (29.7482, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1100,'cm^3/(mol*s)'), n=2.41, Ea=(29.7482,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Ca;CsJ-CsHH @@ -11806,18 +8556,11 @@ index = 599, label = "C4H6-3 + C3H7-2 <=> C7H13-14", degeneracy = 1.0, - kinetics = Arrhenius( - A = (883, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (24.7274, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(883,'cm^3/(mol*s)'), n=2.41, Ea=(24.7274,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Ca;CsJ-CsCsH @@ -11828,18 +8571,11 @@ index = 600, label = "C4H6-3 + C4H9 <=> C8H15-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (654, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (18.828, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(654,'cm^3/(mol*s)'), n=2.41, Ea=(18.828,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Ca;CsJ-CsCsCs @@ -11850,18 +8586,11 @@ index = 601, label = "C4H6-3 + allyl <=> C7H11-22", degeneracy = 2.0, - kinetics = Arrhenius( - A = (22800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (58.4505, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(22800,'cm^3/(mol*s)'), n=2.41, Ea=(58.4505,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Ca;CsJ-CdHH @@ -11872,18 +8601,11 @@ index = 602, label = "C4H6-3 + C4H7-2 <=> C8H13-22", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1990, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (57.4463, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1990,'cm^3/(mol*s)'), n=2.41, Ea=(57.4463,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Ca;CsJ-CdCsH @@ -11894,18 +8616,11 @@ index = 603, label = "C4H6-3 + C5H9 <=> C9H15-18", degeneracy = 1.0, - kinetics = Arrhenius( - A = (258, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (53.346, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(258,'cm^3/(mol*s)'), n=2.41, Ea=(53.346,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Ca;CsJ-CdCsCs @@ -11916,18 +8631,11 @@ index = 604, label = "C4H6-3 + C5H7-3 <=> C9H13-15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4020, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (77.4458, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4020,'cm^3/(mol*s)'), n=2.41, Ea=(77.4458,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Ca;CsJ-CdCdH @@ -11938,18 +8646,11 @@ index = 605, label = "C4H6-3 + C6H9-12 <=> C10H15-13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1370, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (76.6927, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1370,'cm^3/(mol*s)'), n=2.41, Ea=(76.6927,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Ca;CsJ-CdCdCs @@ -11960,18 +8661,11 @@ index = 606, label = "C4H6-3 + C7H7-3 <=> C11H13-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5300, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (48.7018, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5300,'cm^3/(mol*s)'), n=2.41, Ea=(48.7018,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Ca;CsJ-CbHH @@ -11982,18 +8676,11 @@ index = 607, label = "C4H6-3 + C8H9 <=> C12H15-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1300, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (45.773, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1300,'cm^3/(mol*s)'), n=2.41, Ea=(45.773,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Ca;CsJ-CbCsH @@ -12004,18 +8691,11 @@ index = 608, label = "C4H6-3 + C9H11-15 <=> C13H17-10", degeneracy = 1.0, - kinetics = Arrhenius( - A = (209, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.5554, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(209,'cm^3/(mol*s)'), n=2.41, Ea=(43.5554,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Ca;CsJ-CbCsCs @@ -12026,18 +8706,11 @@ index = 609, label = "C3H3 + C4H6-3 <=> C7H9-36", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4900, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (47.6558, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4900,'cm^3/(mol*s)'), n=2.41, Ea=(47.6558,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Ca;CsJ-CtHH @@ -12048,18 +8721,11 @@ index = 610, label = "C4H5-12 + C4H6-3 <=> C8H11-13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1110, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (45.7311, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1110,'cm^3/(mol*s)'), n=2.41, Ea=(45.7311,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Ca;CsJ-CtCsH @@ -12070,18 +8736,11 @@ index = 611, label = "C5H7-5 + C4H6-3 <=> C9H13-16", degeneracy = 1.0, - kinetics = Arrhenius( - A = (282, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (42.886, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(282,'cm^3/(mol*s)'), n=2.41, Ea=(42.886,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Ca;CsJ-CtCsCs @@ -12092,18 +8751,11 @@ index = 612, label = "C2H3 + C4H6-3 <=> C6H9-20", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7420, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (16.1084, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7420,'cm^3/(mol*s)'), n=2.41, Ea=(16.1084,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Ca;CdsJ-H @@ -12114,18 +8766,11 @@ index = 613, label = "C4H6-3 + C3H5 <=> C7H11-23", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3930, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (15.1879, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3930,'cm^3/(mol*s)'), n=2.41, Ea=(15.1879,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Ca;CdsJ-Cs @@ -12136,18 +8781,11 @@ index = 614, label = "C4H6-3 + C6H5 <=> C10H11-27", degeneracy = 1.0, - kinetics = Arrhenius( - A = (11700, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (6.10864, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(11700,'cm^3/(mol*s)'), n=2.41, Ea=(6.10864,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Ca;CbJ @@ -12158,18 +8796,11 @@ index = 615, label = "CH3 + C4H8-2 <=> C5H11-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6240, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (33.6394, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6240,'cm^3/(mol*s)'), n=2.41, Ea=(33.6394,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsCs_Cds-HH;CsJ-HHH @@ -12180,18 +8811,11 @@ index = 616, label = "C4H8-2 + C2H5 <=> C6H13-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (634, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (31.2545, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(634,'cm^3/(mol*s)'), n=2.41, Ea=(31.2545,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsCs_Cds-HH;CsJ-CsHH @@ -12202,18 +8826,11 @@ index = 617, label = "C4H8-2 + C3H7-2 <=> C7H15-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (508, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (26.2755, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(508,'cm^3/(mol*s)'), n=2.41, Ea=(26.2755,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsCs_Cds-HH;CsJ-CsCsH @@ -12224,18 +8841,11 @@ index = 618, label = "C4H8-2 + C4H9 <=> C8H17-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (376, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (20.3342, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(376,'cm^3/(mol*s)'), n=2.41, Ea=(20.3342,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsCs_Cds-HH;CsJ-CsCsCs @@ -12246,18 +8856,11 @@ index = 619, label = "allyl + C4H8-2 <=> C7H13-15", degeneracy = 2.0, - kinetics = Arrhenius( - A = (13160, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (59.9567, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(13160,'cm^3/(mol*s)'), n=2.41, Ea=(59.9567,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsCs_Cds-HH;CsJ-CdHH @@ -12268,18 +8871,11 @@ index = 620, label = "C4H7-2 + C4H8-2 <=> C8H15-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1150, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (58.9526, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1150,'cm^3/(mol*s)'), n=2.41, Ea=(58.9526,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsCs_Cds-HH;CsJ-CdCsH @@ -12290,18 +8886,11 @@ index = 621, label = "C5H9 + C4H8-2 <=> C9H17-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (148, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (54.8941, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(148,'cm^3/(mol*s)'), n=2.41, Ea=(54.8941,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsCs_Cds-HH;CsJ-CdCsCs @@ -12312,18 +8901,11 @@ index = 622, label = "C5H7-3 + C4H8-2 <=> C9H15-19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2310, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (78.9521, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2310,'cm^3/(mol*s)'), n=2.41, Ea=(78.9521,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsCs_Cds-HH;CsJ-CdCdH @@ -12334,18 +8916,11 @@ index = 623, label = "C6H9-12 + C4H8-2 <=> C10H17-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (789, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (78.199, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(789,'cm^3/(mol*s)'), n=2.41, Ea=(78.199,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsCs_Cds-HH;CsJ-CdCdCs @@ -12356,18 +8931,11 @@ index = 624, label = "C7H7-3 + C4H8-2 <=> C11H15-18", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3050, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (50.208, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3050,'cm^3/(mol*s)'), n=2.41, Ea=(50.208,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsCs_Cds-HH;CsJ-CbHH @@ -12378,18 +8946,11 @@ index = 625, label = "C4H8-2 + C8H9 <=> C12H17-14", degeneracy = 1.0, - kinetics = Arrhenius( - A = (751, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (47.321, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(751,'cm^3/(mol*s)'), n=2.41, Ea=(47.321,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsCs_Cds-HH;CsJ-CbCsH @@ -12400,18 +8961,11 @@ index = 626, label = "C4H8-2 + C9H11-15 <=> C13H19-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (120, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (45.0617, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(120,'cm^3/(mol*s)'), n=2.41, Ea=(45.0617,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsCs_Cds-HH;CsJ-CbCsCs @@ -12422,18 +8976,11 @@ index = 627, label = "C3H3 + C4H8-2 <=> C7H11-24", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2820, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (49.2038, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2820,'cm^3/(mol*s)'), n=2.41, Ea=(49.2038,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsCs_Cds-HH;CsJ-CtHH @@ -12444,18 +8991,11 @@ index = 628, label = "C4H5-12 + C4H8-2 <=> C8H13-23", degeneracy = 1.0, - kinetics = Arrhenius( - A = (636, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (47.2374, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(636,'cm^3/(mol*s)'), n=2.41, Ea=(47.2374,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsCs_Cds-HH;CsJ-CtCsH @@ -12466,18 +9006,11 @@ index = 629, label = "C5H7-5 + C4H8-2 <=> C9H15-20", degeneracy = 1.0, - kinetics = Arrhenius( - A = (162, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (44.3922, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(162,'cm^3/(mol*s)'), n=2.41, Ea=(44.3922,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsCs_Cds-HH;CsJ-CtCsCs @@ -12488,18 +9021,11 @@ index = 630, label = "C2H3 + C4H8-2 <=> C6H11-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4270, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (17.6146, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4270,'cm^3/(mol*s)'), n=2.41, Ea=(17.6146,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsCs_Cds-HH;CdsJ-H @@ -12510,18 +9036,11 @@ index = 631, label = "C3H5 + C4H8-2 <=> C7H13-16", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2260, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (16.736, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2260,'cm^3/(mol*s)'), n=2.41, Ea=(16.736,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsCs_Cds-HH;CdsJ-Cs @@ -12532,18 +9051,11 @@ index = 632, label = "C4H8-2 + C6H5 <=> C10H13-17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6740, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (7.61488, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6740,'cm^3/(mol*s)'), n=2.41, Ea=(7.61488,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsCs_Cds-HH;CbJ @@ -12554,18 +9066,11 @@ index = 633, label = "CH3 + C5H10-2 <=> C6H13-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6260, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (32.3423, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6260,'cm^3/(mol*s)'), n=2.41, Ea=(32.3423,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsCs_Cds-CsH;CsJ-HHH @@ -12576,18 +9081,11 @@ index = 634, label = "C2H5 + C5H10-2 <=> C7H15-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (636, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (29.9574, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(636,'cm^3/(mol*s)'), n=2.41, Ea=(29.9574,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Sandeep CBS-QB3 calculations Converted to training reaction from rate rule: Cds-CsCs_Cds-CsH;CsJ-CsHH @@ -12598,18 +9096,11 @@ index = 635, label = "C5H10-2 + C3H7-2 <=> C8H17-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (510, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (24.9366, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(510,'cm^3/(mol*s)'), n=2.41, Ea=(24.9366,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CsH;CsJ-CsCsH """, ) @@ -12618,18 +9109,11 @@ index = 636, label = "C5H10-2 + C4H9 <=> C9H19-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (378, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (19.0372, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(378,'cm^3/(mol*s)'), n=2.41, Ea=(19.0372,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CsH;CsJ-CsCsCs """, ) @@ -12638,18 +9122,11 @@ index = 637, label = "allyl + C5H10-2 <=> C8H15-13", degeneracy = 2.0, - kinetics = Arrhenius( - A = (13220, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (58.6597, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(13220,'cm^3/(mol*s)'), n=2.41, Ea=(58.6597,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CsH;CsJ-CdHH """, ) @@ -12658,18 +9135,11 @@ index = 638, label = "C4H7-2 + C5H10-2 <=> C9H17-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1150, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (57.6555, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1150,'cm^3/(mol*s)'), n=2.41, Ea=(57.6555,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CsH;CsJ-CdCsH """, ) @@ -12678,18 +9148,11 @@ index = 639, label = "C5H9 + C5H10-2 <=> C10H19-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (149, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (53.5552, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(149,'cm^3/(mol*s)'), n=2.41, Ea=(53.5552,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CsH;CsJ-CdCsCs """, ) @@ -12698,18 +9161,11 @@ index = 640, label = "C5H7-3 + C5H10-2 <=> C10H17-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2320, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (77.655, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2320,'cm^3/(mol*s)'), n=2.41, Ea=(77.655,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CsH;CsJ-CdCdH """, ) @@ -12718,18 +9174,11 @@ index = 641, label = "C6H9-12 + C5H10-2 <=> C11H19-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (793, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (76.9019, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(793,'cm^3/(mol*s)'), n=2.41, Ea=(76.9019,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CsH;CsJ-CdCdCs """, ) @@ -12738,18 +9187,11 @@ index = 642, label = "C7H7-3 + C5H10-2 <=> C12H17-15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3070, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (48.911, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3070,'cm^3/(mol*s)'), n=2.41, Ea=(48.911,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CsH;CsJ-CbHH """, ) @@ -12758,18 +9200,11 @@ index = 643, label = "C8H9 + C5H10-2 <=> C13H19-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (754, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (45.9822, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(754,'cm^3/(mol*s)'), n=2.41, Ea=(45.9822,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CsH;CsJ-CbCsH """, ) @@ -12778,18 +9213,11 @@ index = 644, label = "C9H11-15 + C5H10-2 <=> C14H21-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (121, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.7646, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(121,'cm^3/(mol*s)'), n=2.41, Ea=(43.7646,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CsH;CsJ-CbCsCs """, ) @@ -12798,18 +9226,11 @@ index = 645, label = "C3H3 + C5H10-2 <=> C8H13-24", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2830, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (47.865, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2830,'cm^3/(mol*s)'), n=2.41, Ea=(47.865,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CsH;CsJ-CtHH """, ) @@ -12818,18 +9239,11 @@ index = 646, label = "C4H5-12 + C5H10-2 <=> C9H15-21", degeneracy = 1.0, - kinetics = Arrhenius( - A = (639, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (45.9403, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(639,'cm^3/(mol*s)'), n=2.41, Ea=(45.9403,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CsH;CsJ-CtCsH """, ) @@ -12838,18 +9252,11 @@ index = 647, label = "C5H7-5 + C5H10-2 <=> C10H17-13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (163, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.0952, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(163,'cm^3/(mol*s)'), n=2.41, Ea=(43.0952,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CsH;CsJ-CtCsCs """, ) @@ -12858,18 +9265,11 @@ index = 648, label = "C2H3 + C5H10-2 <=> C7H13-17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4290, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (16.3176, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4290,'cm^3/(mol*s)'), n=2.41, Ea=(16.3176,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CsH;CdsJ-H """, ) @@ -12878,18 +9278,11 @@ index = 649, label = "C3H5 + C5H10-2 <=> C8H15-14", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2270, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (15.3971, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2270,'cm^3/(mol*s)'), n=2.41, Ea=(15.3971,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CsH;CdsJ-Cs """, ) @@ -12898,18 +9291,11 @@ index = 650, label = "C6H5 + C5H10-2 <=> C11H15-19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6770, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (6.31784, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6770,'cm^3/(mol*s)'), n=2.41, Ea=(6.31784,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CsH;CbJ """, ) @@ -12918,18 +9304,11 @@ index = 651, label = "CH3 + C6H12 <=> C7H15-8", degeneracy = 2.0, - kinetics = Arrhenius( - A = (15760, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (30.7106, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(15760,'cm^3/(mol*s)'), n=2.41, Ea=(30.7106,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CsCs;CsJ-HHH """, ) @@ -12938,18 +9317,11 @@ index = 652, label = "C2H5 + C6H12 <=> C8H17-6", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1602, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (28.3257, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1602,'cm^3/(mol*s)'), n=2.41, Ea=(28.3257,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CsCs;CsJ-CsHH """, ) @@ -12958,18 +9330,11 @@ index = 653, label = "C3H7-2 + C6H12 <=> C9H19-3", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1284, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (23.3467, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1284,'cm^3/(mol*s)'), n=2.41, Ea=(23.3467,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CsCs;CsJ-CsCsH """, ) @@ -12978,18 +9343,11 @@ index = 654, label = "C6H12 + C4H9 <=> C10H21", degeneracy = 2.0, - kinetics = Arrhenius( - A = (952, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (17.4054, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(952,'cm^3/(mol*s)'), n=2.41, Ea=(17.4054,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CsCs;CsJ-CsCsCs """, ) @@ -12998,18 +9356,11 @@ index = 655, label = "allyl + C6H12 <=> C9H17-9", degeneracy = 4.0, - kinetics = Arrhenius( - A = (33280, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (57.0279, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(33280,'cm^3/(mol*s)'), n=2.41, Ea=(57.0279,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CsCs;CsJ-CdHH """, ) @@ -13018,18 +9369,11 @@ index = 656, label = "C4H7-2 + C6H12 <=> C10H19-4", degeneracy = 2.0, - kinetics = Arrhenius( - A = (2900, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (56.0238, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2900,'cm^3/(mol*s)'), n=2.41, Ea=(56.0238,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CsCs;CsJ-CdCsH """, ) @@ -13038,18 +9382,11 @@ index = 657, label = "C5H9 + C6H12 <=> C11H21", degeneracy = 2.0, - kinetics = Arrhenius( - A = (374, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (51.9653, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(374,'cm^3/(mol*s)'), n=2.41, Ea=(51.9653,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CsCs;CsJ-CdCsCs """, ) @@ -13058,18 +9395,11 @@ index = 658, label = "C5H7-3 + C6H12 <=> C11H19-5", degeneracy = 2.0, - kinetics = Arrhenius( - A = (5840, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (76.0651, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5840,'cm^3/(mol*s)'), n=2.41, Ea=(76.0651,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CsCs;CsJ-CdCdH """, ) @@ -13078,18 +9408,11 @@ index = 659, label = "C6H9-12 + C6H12 <=> C12H21", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1994, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (75.2702, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1994,'cm^3/(mol*s)'), n=2.41, Ea=(75.2702,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CsCs;CsJ-CdCdCs """, ) @@ -13098,18 +9421,11 @@ index = 660, label = "C7H7-3 + C6H12 <=> C13H19-10", degeneracy = 2.0, - kinetics = Arrhenius( - A = (7720, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (47.321, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7720,'cm^3/(mol*s)'), n=2.41, Ea=(47.321,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CsCs;CsJ-CbHH """, ) @@ -13118,18 +9434,11 @@ index = 661, label = "C8H9 + C6H12 <=> C14H21-4", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1898, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (44.3922, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1898,'cm^3/(mol*s)'), n=2.41, Ea=(44.3922,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CsCs;CsJ-CbCsH """, ) @@ -13138,18 +9447,11 @@ index = 662, label = "C9H11-15 + C6H12 <=> C15H23", degeneracy = 2.0, - kinetics = Arrhenius( - A = (304, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (42.1329, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(304,'cm^3/(mol*s)'), n=2.41, Ea=(42.1329,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CsCs;CsJ-CbCsCs """, ) @@ -13158,18 +9460,11 @@ index = 663, label = "C3H3 + C6H12 <=> C9H15-22", degeneracy = 2.0, - kinetics = Arrhenius( - A = (7140, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (46.275, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7140,'cm^3/(mol*s)'), n=2.41, Ea=(46.275,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CsCs;CsJ-CtHH """, ) @@ -13178,18 +9473,11 @@ index = 664, label = "C4H5-12 + C6H12 <=> C10H17-14", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1608, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (44.3504, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1608,'cm^3/(mol*s)'), n=2.41, Ea=(44.3504,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CsCs;CsJ-CtCsH """, ) @@ -13198,18 +9486,11 @@ index = 665, label = "C5H7-5 + C6H12 <=> C11H19-6", degeneracy = 2.0, - kinetics = Arrhenius( - A = (410, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (41.4634, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(410,'cm^3/(mol*s)'), n=2.41, Ea=(41.4634,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CsCs;CsJ-CtCsCs """, ) @@ -13218,18 +9499,11 @@ index = 666, label = "C2H3 + C6H12 <=> C8H15-15", degeneracy = 2.0, - kinetics = Arrhenius( - A = (10780, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (14.6858, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(10780,'cm^3/(mol*s)'), n=2.41, Ea=(14.6858,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CsCs;CdsJ-H """, ) @@ -13238,18 +9512,11 @@ index = 667, label = "C3H5 + C6H12 <=> C9H17-10", degeneracy = 2.0, - kinetics = Arrhenius( - A = (5720, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (13.8072, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5720,'cm^3/(mol*s)'), n=2.41, Ea=(13.8072,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CsCs;CdsJ-Cs """, ) @@ -13258,18 +9525,11 @@ index = 668, label = "C6H5 + C6H12 <=> C12H17-16", degeneracy = 2.0, - kinetics = Arrhenius( - A = (17040, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (4.72792, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(17040,'cm^3/(mol*s)'), n=2.41, Ea=(4.72792,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CsCs;CbJ """, ) @@ -13278,18 +9538,11 @@ index = 669, label = "CH3 + C6H10-2 <=> C7H13-18", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7030, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (20.6271, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7030,'cm^3/(mol*s)'), n=2.41, Ea=(20.6271,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdH;CsJ-HHH """, ) @@ -13298,18 +9551,11 @@ index = 670, label = "C6H10-2 + C2H5 <=> C8H15-16", degeneracy = 1.0, - kinetics = Arrhenius( - A = (714, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (18.2422, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(714,'cm^3/(mol*s)'), n=2.41, Ea=(18.2422,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdH;CsJ-CsHH """, ) @@ -13318,18 +9564,11 @@ index = 671, label = "C6H10-2 + C3H7-2 <=> C9H17-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (573, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (13.2633, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(573,'cm^3/(mol*s)'), n=2.41, Ea=(13.2633,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdH;CsJ-CsCsH """, ) @@ -13338,18 +9577,11 @@ index = 672, label = "C6H10-2 + C4H9 <=> C10H19-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (425, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (7.322, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(425,'cm^3/(mol*s)'), n=2.41, Ea=(7.322,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdH;CsJ-CsCsCs """, ) @@ -13358,18 +9590,11 @@ index = 673, label = "C6H10-2 + allyl <=> C9H15-23", degeneracy = 2.0, - kinetics = Arrhenius( - A = (14840, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (46.9445, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(14840,'cm^3/(mol*s)'), n=2.41, Ea=(46.9445,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdH;CsJ-CdHH """, ) @@ -13378,18 +9603,11 @@ index = 674, label = "C6H10-2 + C4H7-2 <=> C10H17-15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1290, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (45.9403, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1290,'cm^3/(mol*s)'), n=2.41, Ea=(45.9403,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdH;CsJ-CdCsH """, ) @@ -13398,18 +9616,11 @@ index = 675, label = "C6H10-2 + C5H9 <=> C11H19-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (167, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (41.8818, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(167,'cm^3/(mol*s)'), n=2.41, Ea=(41.8818,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdH;CsJ-CdCsCs """, ) @@ -13418,18 +9629,11 @@ index = 676, label = "C6H10-2 + C5H7-3 <=> C11H17-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2610, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (65.9817, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2610,'cm^3/(mol*s)'), n=2.41, Ea=(65.9817,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdH;CsJ-CdCdH """, ) @@ -13438,18 +9642,11 @@ index = 677, label = "C6H9-12 + C6H10-2 <=> C12H19-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (890, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (65.2286, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(890,'cm^3/(mol*s)'), n=2.41, Ea=(65.2286,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdH;CsJ-CdCdCs """, ) @@ -13458,18 +9655,11 @@ index = 678, label = "C6H10-2 + C7H7-3 <=> C13H17-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3440, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (37.2376, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3440,'cm^3/(mol*s)'), n=2.41, Ea=(37.2376,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdH;CsJ-CbHH """, ) @@ -13478,18 +9668,11 @@ index = 679, label = "C6H10-2 + C8H9 <=> C14H19-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (847, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (34.3088, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(847,'cm^3/(mol*s)'), n=2.41, Ea=(34.3088,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdH;CsJ-CbCsH """, ) @@ -13498,18 +9681,11 @@ index = 680, label = "C6H10-2 + C9H11-15 <=> C15H21-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (135, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (32.0494, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(135,'cm^3/(mol*s)'), n=2.41, Ea=(32.0494,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdH;CsJ-CbCsCs """, ) @@ -13518,18 +9694,11 @@ index = 681, label = "C3H3 + C6H10-2 <=> C9H13-17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3180, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (36.1916, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3180,'cm^3/(mol*s)'), n=2.41, Ea=(36.1916,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdH;CsJ-CtHH """, ) @@ -13538,18 +9707,11 @@ index = 682, label = "C4H5-12 + C6H10-2 <=> C10H15-14", degeneracy = 1.0, - kinetics = Arrhenius( - A = (717, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (34.267, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(717,'cm^3/(mol*s)'), n=2.41, Ea=(34.267,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdH;CsJ-CtCsH """, ) @@ -13558,18 +9720,11 @@ index = 683, label = "C5H7-5 + C6H10-2 <=> C11H17-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (183, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (31.4218, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(183,'cm^3/(mol*s)'), n=2.41, Ea=(31.4218,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdH;CsJ-CtCsCs """, ) @@ -13578,18 +9733,11 @@ index = 684, label = "C2H3 + C6H10-2 <=> C8H13-25", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4810, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (4.6024, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4810,'cm^3/(mol*s)'), n=2.41, Ea=(4.6024,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdH;CdsJ-H """, ) @@ -13598,18 +9746,11 @@ index = 685, label = "C3H5 + C6H10-2 <=> C9H15-24", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2550, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (3.72376, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2550,'cm^3/(mol*s)'), n=2.41, Ea=(3.72376,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdH;CdsJ-Cs """, ) @@ -13618,18 +9759,11 @@ index = 686, label = "C6H10-2 + C6H5 <=> C12H15-13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-5.35552, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7600,'cm^3/(mol*s)'), n=2.41, Ea=(-5.35552,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdH;CbJ """, ) @@ -13638,18 +9772,11 @@ index = 687, label = "CH3 + C7H12 <=> C8H15-17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7980, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (18.8698, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7980,'cm^3/(mol*s)'), n=2.41, Ea=(18.8698,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdCs;CsJ-HHH """, ) @@ -13658,18 +9785,11 @@ index = 688, label = "C7H12 + C2H5 <=> C9H17-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (811, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (16.485, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(811,'cm^3/(mol*s)'), n=2.41, Ea=(16.485,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdCs;CsJ-CsHH """, ) @@ -13678,18 +9798,11 @@ index = 689, label = "C7H12 + C3H7-2 <=> C10H19-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (650, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (11.506, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(650,'cm^3/(mol*s)'), n=2.41, Ea=(11.506,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdCs;CsJ-CsCsH """, ) @@ -13698,18 +9811,11 @@ index = 690, label = "C7H12 + C4H9 <=> C11H21-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (482, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (5.60656, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(482,'cm^3/(mol*s)'), n=2.41, Ea=(5.60656,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdCs;CsJ-CsCsCs """, ) @@ -13718,18 +9824,11 @@ index = 691, label = "allyl + C7H12 <=> C10H17-16", degeneracy = 2.0, - kinetics = Arrhenius( - A = (16860, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (45.1872, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(16860,'cm^3/(mol*s)'), n=2.41, Ea=(45.1872,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdCs;CsJ-CdHH """, ) @@ -13738,18 +9837,11 @@ index = 692, label = "C7H12 + C4H7-2 <=> C11H19-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1470, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (44.183, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1470,'cm^3/(mol*s)'), n=2.41, Ea=(44.183,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdCs;CsJ-CdCsH """, ) @@ -13758,18 +9850,11 @@ index = 693, label = "C7H12 + C5H9 <=> C12H21-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (190, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (40.1246, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(190,'cm^3/(mol*s)'), n=2.41, Ea=(40.1246,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdCs;CsJ-CdCsCs """, ) @@ -13778,18 +9863,11 @@ index = 694, label = "C5H7-3 + C7H12 <=> C12H19-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2960, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (64.2244, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2960,'cm^3/(mol*s)'), n=2.41, Ea=(64.2244,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdCs;CsJ-CdCdH """, ) @@ -13798,18 +9876,11 @@ index = 695, label = "C6H9-12 + C7H12 <=> C13H21", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1010, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (63.4713, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1010,'cm^3/(mol*s)'), n=2.41, Ea=(63.4713,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdCs;CsJ-CdCdCs """, ) @@ -13818,18 +9889,11 @@ index = 696, label = "C7H12 + C7H7-3 <=> C14H19-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3910, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (35.4803, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3910,'cm^3/(mol*s)'), n=2.41, Ea=(35.4803,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdCs;CsJ-CbHH """, ) @@ -13838,18 +9902,11 @@ index = 697, label = "C7H12 + C8H9 <=> C15H21-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (961, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (32.5515, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(961,'cm^3/(mol*s)'), n=2.41, Ea=(32.5515,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdCs;CsJ-CbCsH """, ) @@ -13858,18 +9915,11 @@ index = 698, label = "C7H12 + C9H11-15 <=> C16H23", degeneracy = 1.0, - kinetics = Arrhenius( - A = (154, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (30.2922, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(154,'cm^3/(mol*s)'), n=2.41, Ea=(30.2922,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdCs;CsJ-CbCsCs """, ) @@ -13878,18 +9928,11 @@ index = 699, label = "C3H3 + C7H12 <=> C10H15-15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3610, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (34.4343, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3610,'cm^3/(mol*s)'), n=2.41, Ea=(34.4343,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdCs;CsJ-CtHH """, ) @@ -13898,18 +9941,11 @@ index = 700, label = "C4H5-12 + C7H12 <=> C11H17-10", degeneracy = 1.0, - kinetics = Arrhenius( - A = (814, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (32.5097, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(814,'cm^3/(mol*s)'), n=2.41, Ea=(32.5097,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdCs;CsJ-CtCsH """, ) @@ -13918,18 +9954,11 @@ index = 701, label = "C5H7-5 + C7H12 <=> C12H19-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (208, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (29.6646, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(208,'cm^3/(mol*s)'), n=2.41, Ea=(29.6646,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdCs;CsJ-CtCsCs """, ) @@ -13938,18 +9967,11 @@ index = 702, label = "C2H3 + C7H12 <=> C9H15-25", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5460, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (2.84512, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5460,'cm^3/(mol*s)'), n=2.41, Ea=(2.84512,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdCs;CdsJ-H """, ) @@ -13958,18 +9980,11 @@ index = 703, label = "C3H5 + C7H12 <=> C10H17-17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2900, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (1.96648, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2900,'cm^3/(mol*s)'), n=2.41, Ea=(1.96648,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdCs;CdsJ-Cs """, ) @@ -13978,18 +9993,11 @@ index = 704, label = "C7H12 + C6H5 <=> C13H17-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8630, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-7.1128, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8630,'cm^3/(mol*s)'), n=2.41, Ea=(-7.1128,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdCs;CbJ """, ) @@ -13998,18 +10006,11 @@ index = 705, label = "CH3 + C8H12 <=> C9H15-26", degeneracy = 1.0, - kinetics = Arrhenius( - A = (24300, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (15.1042, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(24300,'cm^3/(mol*s)'), n=2.41, Ea=(15.1042,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdCd;CsJ-HHH """, ) @@ -14018,18 +10019,11 @@ index = 706, label = "C8H12 + C2H5 <=> C10H17-18", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2470, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (12.7194, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2470,'cm^3/(mol*s)'), n=2.41, Ea=(12.7194,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdCd;CsJ-CsHH """, ) @@ -14038,18 +10032,11 @@ index = 707, label = "C8H12 + C3H7-2 <=> C11H19-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1980, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (7.7404, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1980,'cm^3/(mol*s)'), n=2.41, Ea=(7.7404,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdCd;CsJ-CsCsH """, ) @@ -14058,18 +10045,11 @@ index = 708, label = "C8H12 + C4H9 <=> C12H21-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1470, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (1.79912, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1470,'cm^3/(mol*s)'), n=2.41, Ea=(1.79912,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdCd;CsJ-CsCsCs """, ) @@ -14078,18 +10058,11 @@ index = 709, label = "C8H12 + allyl <=> C11H17-11", degeneracy = 2.0, - kinetics = Arrhenius( - A = (51400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (41.4216, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(51400,'cm^3/(mol*s)'), n=2.41, Ea=(41.4216,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdCd;CsJ-CdHH """, ) @@ -14098,18 +10071,11 @@ index = 710, label = "C8H12 + C4H7-2 <=> C12H19-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4470, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (40.4174, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4470,'cm^3/(mol*s)'), n=2.41, Ea=(40.4174,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdCd;CsJ-CdCsH """, ) @@ -14118,18 +10084,11 @@ index = 711, label = "C8H12 + C5H9 <=> C13H21-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (578, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (36.359, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(578,'cm^3/(mol*s)'), n=2.41, Ea=(36.359,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdCd;CsJ-CdCsCs """, ) @@ -14138,18 +10097,11 @@ index = 712, label = "C5H7-3 + C8H12 <=> C13H19-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9020, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (60.4588, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9020,'cm^3/(mol*s)'), n=2.41, Ea=(60.4588,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdCd;CsJ-CdCdH """, ) @@ -14158,18 +10110,11 @@ index = 713, label = "C8H12 + C6H9-12 <=> C14H21-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3080, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (59.7057, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3080,'cm^3/(mol*s)'), n=2.41, Ea=(59.7057,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdCd;CsJ-CdCdCs """, ) @@ -14178,18 +10123,11 @@ index = 714, label = "C8H12 + C7H7-3 <=> C15H19-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (11900, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (31.7147, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(11900,'cm^3/(mol*s)'), n=2.41, Ea=(31.7147,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdCd;CsJ-CbHH """, ) @@ -14198,18 +10136,11 @@ index = 715, label = "C8H12 + C8H9 <=> C16H21-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2930, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (28.7859, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2930,'cm^3/(mol*s)'), n=2.41, Ea=(28.7859,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdCd;CsJ-CbCsH """, ) @@ -14218,18 +10149,11 @@ index = 716, label = "C8H12 + C9H11-15 <=> C17H23", degeneracy = 1.0, - kinetics = Arrhenius( - A = (468, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (26.5266, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(468,'cm^3/(mol*s)'), n=2.41, Ea=(26.5266,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdCd;CsJ-CbCsCs """, ) @@ -14238,18 +10162,11 @@ index = 717, label = "C3H3 + C8H12 <=> C11H15-20", degeneracy = 1.0, - kinetics = Arrhenius( - A = (11000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (30.6687, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(11000,'cm^3/(mol*s)'), n=2.41, Ea=(30.6687,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdCd;CsJ-CtHH """, ) @@ -14258,18 +10175,11 @@ index = 718, label = "C4H5-12 + C8H12 <=> C12H17-17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2480, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (28.7441, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2480,'cm^3/(mol*s)'), n=2.41, Ea=(28.7441,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdCd;CsJ-CtCsH """, ) @@ -14278,18 +10188,11 @@ index = 719, label = "C5H7-5 + C8H12 <=> C13H19-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (633, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (25.8571, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(633,'cm^3/(mol*s)'), n=2.41, Ea=(25.8571,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdCd;CsJ-CtCsCs """, ) @@ -14298,18 +10201,11 @@ index = 720, label = "C2H3 + C8H12 <=> C10H15-16", degeneracy = 1.0, - kinetics = Arrhenius( - A = (16600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-0.92048, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(16600,'cm^3/(mol*s)'), n=2.41, Ea=(-0.92048,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdCd;CdsJ-H """, ) @@ -14318,18 +10214,11 @@ index = 721, label = "C3H5 + C8H12 <=> C11H17-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8830, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-1.79912, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8830,'cm^3/(mol*s)'), n=2.41, Ea=(-1.79912,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdCd;CdsJ-Cs """, ) @@ -14338,18 +10227,11 @@ index = 722, label = "C8H12 + C6H5 <=> C14H17-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (26300, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-10.8784, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(26300,'cm^3/(mol*s)'), n=2.41, Ea=(-10.8784,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdCd;CbJ """, ) @@ -14358,18 +10240,11 @@ index = 723, label = "CH3 + C10H12-2 <=> C11H15-21", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2300, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (27.991, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2300,'cm^3/(mol*s)'), n=2.41, Ea=(27.991,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CbH;CsJ-HHH """, ) @@ -14378,18 +10253,11 @@ index = 724, label = "C2H5 + C10H12-2 <=> C12H17-18", degeneracy = 1.0, - kinetics = Arrhenius( - A = (233, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (25.6061, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(233,'cm^3/(mol*s)'), n=2.41, Ea=(25.6061,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CbH;CsJ-CsHH """, ) @@ -14398,18 +10266,11 @@ index = 725, label = "C10H12-2 + C3H7-2 <=> C13H19-13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (187, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (20.5853, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(187,'cm^3/(mol*s)'), n=2.41, Ea=(20.5853,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CbH;CsJ-CsCsH """, ) @@ -14418,18 +10279,11 @@ index = 726, label = "C10H12-2 + C4H9 <=> C14H21-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (139, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (14.6858, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(139,'cm^3/(mol*s)'), n=2.41, Ea=(14.6858,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CbH;CsJ-CsCsCs """, ) @@ -14438,18 +10292,11 @@ index = 727, label = "allyl + C10H12-2 <=> C13H17-13", degeneracy = 2.0, - kinetics = Arrhenius( - A = (4840, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (54.3083, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4840,'cm^3/(mol*s)'), n=2.41, Ea=(54.3083,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CbH;CsJ-CdHH """, ) @@ -14458,18 +10305,11 @@ index = 728, label = "C4H7-2 + C10H12-2 <=> C14H19-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (422, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (53.3042, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(422,'cm^3/(mol*s)'), n=2.41, Ea=(53.3042,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CbH;CsJ-CdCsH """, ) @@ -14478,18 +10318,11 @@ index = 729, label = "C5H9 + C10H12-2 <=> C15H21-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (54.6, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (49.2038, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(54.6,'cm^3/(mol*s)'), n=2.41, Ea=(49.2038,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CbH;CsJ-CdCsCs """, ) @@ -14498,18 +10331,11 @@ index = 730, label = "C5H7-3 + C10H12-2 <=> C15H19-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (851, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (73.3037, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(851,'cm^3/(mol*s)'), n=2.41, Ea=(73.3037,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CbH;CsJ-CdCdH """, ) @@ -14518,18 +10344,11 @@ index = 731, label = "C6H9-12 + C10H12-2 <=> C16H21-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (291, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (72.5506, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(291,'cm^3/(mol*s)'), n=2.41, Ea=(72.5506,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CbH;CsJ-CdCdCs """, ) @@ -14538,18 +10357,11 @@ index = 732, label = "C7H7-3 + C10H12-2 <=> C17H19-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1120, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (44.5596, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1120,'cm^3/(mol*s)'), n=2.41, Ea=(44.5596,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CbH;CsJ-CbHH """, ) @@ -14558,18 +10370,11 @@ index = 733, label = "C10H12-2 + C8H9 <=> C18H21-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (276, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (41.6308, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(276,'cm^3/(mol*s)'), n=2.41, Ea=(41.6308,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CbH;CsJ-CbCsH """, ) @@ -14578,18 +10383,11 @@ index = 734, label = "C9H11-15 + C10H12-2 <=> C19H23-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (44.2, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (39.4133, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(44.2,'cm^3/(mol*s)'), n=2.41, Ea=(39.4133,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CbH;CsJ-CbCsCs """, ) @@ -14598,18 +10396,11 @@ index = 735, label = "C3H3 + C10H12-2 <=> C13H15-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1040, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.5136, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1040,'cm^3/(mol*s)'), n=2.41, Ea=(43.5136,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CbH;CsJ-CtHH """, ) @@ -14618,18 +10409,11 @@ index = 736, label = "C4H5-12 + C10H12-2 <=> C14H17-13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (234, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (41.589, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(234,'cm^3/(mol*s)'), n=2.41, Ea=(41.589,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CbH;CsJ-CtCsH """, ) @@ -14638,18 +10422,11 @@ index = 737, label = "C5H7-5 + C10H12-2 <=> C15H19-10", degeneracy = 1.0, - kinetics = Arrhenius( - A = (59.7, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (38.7438, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(59.7,'cm^3/(mol*s)'), n=2.41, Ea=(38.7438,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CbH;CsJ-CtCsCs """, ) @@ -14658,18 +10435,11 @@ index = 738, label = "C2H3 + C10H12-2 <=> C12H15-14", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1570, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (11.9662, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1570,'cm^3/(mol*s)'), n=2.41, Ea=(11.9662,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CbH;CdsJ-H """, ) @@ -14678,18 +10448,11 @@ index = 739, label = "C3H5 + C10H12-2 <=> C13H17-14", degeneracy = 1.0, - kinetics = Arrhenius( - A = (833, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (11.0458, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(833,'cm^3/(mol*s)'), n=2.41, Ea=(11.0458,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CbH;CdsJ-Cs """, ) @@ -14698,18 +10461,11 @@ index = 740, label = "C6H5 + C10H12-2 <=> C16H17-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2480, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (1.96648, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2480,'cm^3/(mol*s)'), n=2.41, Ea=(1.96648,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CbH;CbJ """, ) @@ -14718,18 +10474,11 @@ index = 741, label = "CH3 + C11H14 <=> C12H17-19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4870, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (27.3215, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4870,'cm^3/(mol*s)'), n=2.41, Ea=(27.3215,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CbCs;CsJ-HHH """, ) @@ -14738,18 +10487,11 @@ index = 742, label = "C2H5 + C11H14 <=> C13H19-14", degeneracy = 1.0, - kinetics = Arrhenius( - A = (495, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (24.9366, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(495,'cm^3/(mol*s)'), n=2.41, Ea=(24.9366,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CbCs;CsJ-CsHH """, ) @@ -14758,18 +10500,11 @@ index = 743, label = "C11H14 + C3H7-2 <=> C14H21-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (397, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (19.9158, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(397,'cm^3/(mol*s)'), n=2.41, Ea=(19.9158,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CbCs;CsJ-CsCsH """, ) @@ -14778,18 +10513,11 @@ index = 744, label = "C11H14 + C4H9 <=> C15H23-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (294, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (14.0164, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(294,'cm^3/(mol*s)'), n=2.41, Ea=(14.0164,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CbCs;CsJ-CsCsCs """, ) @@ -14798,18 +10526,11 @@ index = 745, label = "allyl + C11H14 <=> C14H19-10", degeneracy = 2.0, - kinetics = Arrhenius( - A = (10280, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (53.6389, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(10280,'cm^3/(mol*s)'), n=2.41, Ea=(53.6389,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CbCs;CsJ-CdHH """, ) @@ -14818,18 +10539,11 @@ index = 746, label = "C4H7-2 + C11H14 <=> C15H21-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (895, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (52.6347, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(895,'cm^3/(mol*s)'), n=2.41, Ea=(52.6347,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CbCs;CsJ-CdCsH """, ) @@ -14838,18 +10552,11 @@ index = 747, label = "C5H9 + C11H14 <=> C16H23-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (116, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (48.5344, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(116,'cm^3/(mol*s)'), n=2.41, Ea=(48.5344,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CbCs;CsJ-CdCsCs """, ) @@ -14858,18 +10565,11 @@ index = 748, label = "C5H7-3 + C11H14 <=> C16H21-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (72.6342, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1800,'cm^3/(mol*s)'), n=2.41, Ea=(72.6342,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CbCs;CsJ-CdCdH """, ) @@ -14878,18 +10578,11 @@ index = 749, label = "C6H9-12 + C11H14 <=> C17H23-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (616, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (71.8811, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(616,'cm^3/(mol*s)'), n=2.41, Ea=(71.8811,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CbCs;CsJ-CdCdCs """, ) @@ -14898,18 +10591,11 @@ index = 750, label = "C7H7-3 + C11H14 <=> C18H21-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2380, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.8902, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2380,'cm^3/(mol*s)'), n=2.41, Ea=(43.8902,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CbCs;CsJ-CbHH """, ) @@ -14918,18 +10604,11 @@ index = 751, label = "C8H9 + C11H14 <=> C19H23-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (586, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (40.9614, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(586,'cm^3/(mol*s)'), n=2.41, Ea=(40.9614,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CbCs;CsJ-CbCsH """, ) @@ -14938,18 +10617,11 @@ index = 752, label = "C9H11-15 + C11H14 <=> C20H25", degeneracy = 1.0, - kinetics = Arrhenius( - A = (93.8, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (38.7438, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(93.8,'cm^3/(mol*s)'), n=2.41, Ea=(38.7438,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CbCs;CsJ-CbCsCs """, ) @@ -14958,18 +10630,11 @@ index = 753, label = "C3H3 + C11H14 <=> C14H17-14", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (42.8442, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2200,'cm^3/(mol*s)'), n=2.41, Ea=(42.8442,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CbCs;CsJ-CtHH """, ) @@ -14978,18 +10643,11 @@ index = 754, label = "C4H5-12 + C11H14 <=> C15H19-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (497, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (40.9195, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(497,'cm^3/(mol*s)'), n=2.41, Ea=(40.9195,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CbCs;CsJ-CtCsH """, ) @@ -14998,18 +10656,11 @@ index = 755, label = "C5H7-5 + C11H14 <=> C16H21-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (127, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (38.0744, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(127,'cm^3/(mol*s)'), n=2.41, Ea=(38.0744,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CbCs;CsJ-CtCsCs """, ) @@ -15018,18 +10669,11 @@ index = 756, label = "C2H3 + C11H14 <=> C13H17-15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3330, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (11.2968, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3330,'cm^3/(mol*s)'), n=2.41, Ea=(11.2968,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CbCs;CdsJ-H """, ) @@ -15038,18 +10682,11 @@ index = 757, label = "C3H5 + C11H14 <=> C14H19-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1770, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (10.3763, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1770,'cm^3/(mol*s)'), n=2.41, Ea=(10.3763,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CbCs;CdsJ-Cs """, ) @@ -15058,18 +10695,11 @@ index = 758, label = "C6H5 + C11H14 <=> C17H19-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5260, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (1.29704, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5260,'cm^3/(mol*s)'), n=2.41, Ea=(1.29704,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CbCs;CbJ """, ) @@ -15078,18 +10708,11 @@ index = 759, label = "C6H8-9 + CH3 <=> C7H11-25", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9120, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (19.9995, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9120,'cm^3/(mol*s)'), n=2.41, Ea=(19.9995,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CtH;CsJ-HHH """, ) @@ -15098,18 +10721,11 @@ index = 760, label = "C6H8-9 + C2H5 <=> C8H13-26", degeneracy = 1.0, - kinetics = Arrhenius( - A = (926, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (17.6146, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(926,'cm^3/(mol*s)'), n=2.41, Ea=(17.6146,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CtH;CsJ-CsHH """, ) @@ -15118,18 +10734,11 @@ index = 761, label = "C6H8-9 + C3H7-2 <=> C9H15-27", degeneracy = 1.0, - kinetics = Arrhenius( - A = (743, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (12.5938, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(743,'cm^3/(mol*s)'), n=2.41, Ea=(12.5938,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CtH;CsJ-CsCsH """, ) @@ -15138,18 +10747,11 @@ index = 762, label = "C6H8-9 + C4H9 <=> C10H17-19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (550, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (6.6944, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(550,'cm^3/(mol*s)'), n=2.41, Ea=(6.6944,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CtH;CsJ-CsCsCs """, ) @@ -15158,18 +10760,11 @@ index = 763, label = "C6H8-9 + allyl <=> C9H13-18", degeneracy = 2.0, - kinetics = Arrhenius( - A = (19240, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (46.3169, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(19240,'cm^3/(mol*s)'), n=2.41, Ea=(46.3169,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CtH;CsJ-CdHH """, ) @@ -15178,18 +10773,11 @@ index = 764, label = "C6H8-9 + C4H7-2 <=> C10H15-17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1680, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (45.3127, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1680,'cm^3/(mol*s)'), n=2.41, Ea=(45.3127,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CtH;CsJ-CdCsH """, ) @@ -15198,18 +10786,11 @@ index = 765, label = "C6H8-9 + C5H9 <=> C11H17-13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (217, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (41.2124, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(217,'cm^3/(mol*s)'), n=2.41, Ea=(41.2124,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CtH;CsJ-CdCsCs """, ) @@ -15218,18 +10799,11 @@ index = 766, label = "C6H8-9 + C5H7-3 <=> C11H15-22", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3380, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (65.3122, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3380,'cm^3/(mol*s)'), n=2.41, Ea=(65.3122,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CtH;CsJ-CdCdH """, ) @@ -15238,18 +10812,11 @@ index = 767, label = "C6H8-9 + C6H9-12 <=> C12H17-20", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1150, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (64.5591, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1150,'cm^3/(mol*s)'), n=2.41, Ea=(64.5591,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CtH;CsJ-CdCdCs """, ) @@ -15258,18 +10825,11 @@ index = 768, label = "C6H8-9 + C7H7-3 <=> C13H15-13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4460, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (36.5682, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4460,'cm^3/(mol*s)'), n=2.41, Ea=(36.5682,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CtH;CsJ-CbHH """, ) @@ -15278,18 +10838,11 @@ index = 769, label = "C6H8-9 + C8H9 <=> C14H17-15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1100, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (33.6812, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1100,'cm^3/(mol*s)'), n=2.41, Ea=(33.6812,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CtH;CsJ-CbCsH """, ) @@ -15298,18 +10851,11 @@ index = 770, label = "C6H8-9 + C9H11-15 <=> C15H19-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (176, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (31.4218, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(176,'cm^3/(mol*s)'), n=2.41, Ea=(31.4218,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CtH;CsJ-CbCsCs """, ) @@ -15318,18 +10864,11 @@ index = 771, label = "C6H8-9 + C3H3 <=> C9H11-22", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4120, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (35.564, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4120,'cm^3/(mol*s)'), n=2.41, Ea=(35.564,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CtH;CsJ-CtHH """, ) @@ -15338,18 +10877,11 @@ index = 772, label = "C6H8-9 + C4H5-12 <=> C10H13-18", degeneracy = 1.0, - kinetics = Arrhenius( - A = (930, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (33.5975, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(930,'cm^3/(mol*s)'), n=2.41, Ea=(33.5975,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CtH;CsJ-CtCsH """, ) @@ -15358,18 +10890,11 @@ index = 773, label = "C6H8-9 + C5H7-5 <=> C11H15-23", degeneracy = 1.0, - kinetics = Arrhenius( - A = (237, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (30.7524, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(237,'cm^3/(mol*s)'), n=2.41, Ea=(30.7524,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CtH;CsJ-CtCsCs """, ) @@ -15378,18 +10903,11 @@ index = 774, label = "C6H8-9 + C2H3 <=> C8H11-14", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6240, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (3.9748, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6240,'cm^3/(mol*s)'), n=2.41, Ea=(3.9748,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CtH;CdsJ-H """, ) @@ -15398,18 +10916,11 @@ index = 775, label = "C6H8-9 + C3H5 <=> C9H13-19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3310, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (3.09616, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3310,'cm^3/(mol*s)'), n=2.41, Ea=(3.09616,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CtH;CdsJ-Cs """, ) @@ -15418,18 +10929,11 @@ index = 776, label = "C6H8-9 + C6H5 <=> C12H13-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9860, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-6.02496, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9860,'cm^3/(mol*s)'), n=2.41, Ea=(-6.02496,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CtH;CbJ """, ) @@ -15438,18 +10942,11 @@ index = 777, label = "C7H10-4 + CH3 <=> C8H13-27", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9330, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (19.623, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9330,'cm^3/(mol*s)'), n=2.41, Ea=(19.623,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CtCs;CsJ-HHH """, ) @@ -15458,18 +10955,11 @@ index = 778, label = "C7H10-4 + C2H5 <=> C9H15-28", degeneracy = 1.0, - kinetics = Arrhenius( - A = (948, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (17.2381, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(948,'cm^3/(mol*s)'), n=2.41, Ea=(17.2381,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CtCs;CsJ-CsHH """, ) @@ -15478,18 +10968,11 @@ index = 779, label = "C7H10-4 + C3H7-2 <=> C10H17-20", degeneracy = 1.0, - kinetics = Arrhenius( - A = (761, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (12.2591, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(761,'cm^3/(mol*s)'), n=2.41, Ea=(12.2591,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CtCs;CsJ-CsCsH """, ) @@ -15498,18 +10981,11 @@ index = 780, label = "C7H10-4 + C4H9 <=> C11H19-10", degeneracy = 1.0, - kinetics = Arrhenius( - A = (563, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (6.31784, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(563,'cm^3/(mol*s)'), n=2.41, Ea=(6.31784,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CtCs;CsJ-CsCsCs """, ) @@ -15518,18 +10994,11 @@ index = 781, label = "C7H10-4 + allyl <=> C10H15-18", degeneracy = 2.0, - kinetics = Arrhenius( - A = (19700, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (45.9403, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(19700,'cm^3/(mol*s)'), n=2.41, Ea=(45.9403,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CtCs;CsJ-CdHH """, ) @@ -15538,18 +11007,11 @@ index = 782, label = "C7H10-4 + C4H7-2 <=> C11H17-14", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1720, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (44.9362, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1720,'cm^3/(mol*s)'), n=2.41, Ea=(44.9362,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CtCs;CsJ-CdCsH """, ) @@ -15558,18 +11020,11 @@ index = 783, label = "C7H10-4 + C5H9 <=> C12H19-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (222, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (40.8777, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(222,'cm^3/(mol*s)'), n=2.41, Ea=(40.8777,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CtCs;CsJ-CdCsCs """, ) @@ -15578,18 +11033,11 @@ index = 784, label = "C7H10-4 + C5H7-3 <=> C12H17-21", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3460, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (64.9775, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3460,'cm^3/(mol*s)'), n=2.41, Ea=(64.9775,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CtCs;CsJ-CdCdH """, ) @@ -15598,18 +11046,11 @@ index = 785, label = "C7H10-4 + C6H9-12 <=> C13H19-15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1180, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (64.2244, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1180,'cm^3/(mol*s)'), n=2.41, Ea=(64.2244,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CtCs;CsJ-CdCdCs """, ) @@ -15618,18 +11059,11 @@ index = 786, label = "C7H10-4 + C7H7-3 <=> C14H17-16", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4570, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (36.2334, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4570,'cm^3/(mol*s)'), n=2.41, Ea=(36.2334,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CtCs;CsJ-CbHH """, ) @@ -15638,18 +11072,11 @@ index = 787, label = "C7H10-4 + C8H9 <=> C15H19-13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1120, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (33.3046, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1120,'cm^3/(mol*s)'), n=2.41, Ea=(33.3046,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CtCs;CsJ-CbCsH """, ) @@ -15658,18 +11085,11 @@ index = 788, label = "C7H10-4 + C9H11-15 <=> C16H21-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (180, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (31.0453, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(180,'cm^3/(mol*s)'), n=2.41, Ea=(31.0453,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CtCs;CsJ-CbCsCs """, ) @@ -15678,18 +11098,11 @@ index = 789, label = "C7H10-4 + C3H3 <=> C10H13-19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4220, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (35.1874, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4220,'cm^3/(mol*s)'), n=2.41, Ea=(35.1874,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CtCs;CsJ-CtHH """, ) @@ -15698,18 +11111,11 @@ index = 790, label = "C7H10-4 + C4H5-12 <=> C11H15-24", degeneracy = 1.0, - kinetics = Arrhenius( - A = (952, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (33.2628, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(952,'cm^3/(mol*s)'), n=2.41, Ea=(33.2628,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CtCs;CsJ-CtCsH """, ) @@ -15718,18 +11124,11 @@ index = 791, label = "C7H10-4 + C5H7-5 <=> C12H17-22", degeneracy = 1.0, - kinetics = Arrhenius( - A = (243, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (30.4177, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(243,'cm^3/(mol*s)'), n=2.41, Ea=(30.4177,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CtCs;CsJ-CtCsCs """, ) @@ -15738,18 +11137,11 @@ index = 792, label = "C7H10-4 + C2H3 <=> C9H13-20", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6390, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (3.59824, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6390,'cm^3/(mol*s)'), n=2.41, Ea=(3.59824,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CtCs;CdsJ-H """, ) @@ -15758,18 +11150,11 @@ index = 793, label = "C7H10-4 + C3H5 <=> C10H15-19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3390, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (2.7196, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3390,'cm^3/(mol*s)'), n=2.41, Ea=(2.7196,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CtCs;CdsJ-Cs """, ) @@ -15778,18 +11163,11 @@ index = 794, label = "C7H10-4 + C6H5 <=> C13H15-14", degeneracy = 1.0, - kinetics = Arrhenius( - A = (10100, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-6.35968, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(10100,'cm^3/(mol*s)'), n=2.41, Ea=(-6.35968,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CtCs;CbJ """, ) @@ -15798,18 +11176,11 @@ index = 795, label = "CH3 + C5H8-3 <=> C6H11-13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6740, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (36.0242, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6740,'cm^3/(mol*s)'), n=2.41, Ea=(36.0242,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Ca;CsJ-HHH """, ) @@ -15818,18 +11189,11 @@ index = 796, label = "C5H8-3 + C2H5 <=> C7H13-19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (684, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (33.6394, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(684,'cm^3/(mol*s)'), n=2.41, Ea=(33.6394,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Ca;CsJ-CsHH """, ) @@ -15838,18 +11202,11 @@ index = 797, label = "C5H8-3 + C3H7-2 <=> C8H15-18", degeneracy = 1.0, - kinetics = Arrhenius( - A = (549, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (28.6186, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(549,'cm^3/(mol*s)'), n=2.41, Ea=(28.6186,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Ca;CsJ-CsCsH """, ) @@ -15858,18 +11215,11 @@ index = 798, label = "C5H8-3 + C4H9 <=> C9H17-13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (407, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (22.7191, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(407,'cm^3/(mol*s)'), n=2.41, Ea=(22.7191,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Ca;CsJ-CsCsCs """, ) @@ -15878,18 +11228,11 @@ index = 799, label = "C5H8-3 + allyl <=> C8H13-28", degeneracy = 2.0, - kinetics = Arrhenius( - A = (14220, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (62.3416, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(14220,'cm^3/(mol*s)'), n=2.41, Ea=(62.3416,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Ca;CsJ-CdHH """, ) @@ -15898,18 +11241,11 @@ index = 800, label = "C5H8-3 + C4H7-2 <=> C9H15-29", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1240, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (61.3374, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1240,'cm^3/(mol*s)'), n=2.41, Ea=(61.3374,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Ca;CsJ-CdCsH """, ) @@ -15918,18 +11254,11 @@ index = 801, label = "C5H8-3 + C5H9 <=> C10H17-21", degeneracy = 1.0, - kinetics = Arrhenius( - A = (160, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (57.2371, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(160,'cm^3/(mol*s)'), n=2.41, Ea=(57.2371,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Ca;CsJ-CdCsCs """, ) @@ -15938,18 +11267,11 @@ index = 802, label = "C5H8-3 + C5H7-3 <=> C10H15-20", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2500, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (81.337, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2500,'cm^3/(mol*s)'), n=2.41, Ea=(81.337,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Ca;CsJ-CdCdH """, ) @@ -15958,18 +11280,11 @@ index = 803, label = "C5H8-3 + C6H9-12 <=> C11H17-15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (852, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (80.5838, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(852,'cm^3/(mol*s)'), n=2.41, Ea=(80.5838,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Ca;CsJ-CdCdCs """, ) @@ -15978,18 +11293,11 @@ index = 804, label = "C5H8-3 + C7H7-3 <=> C12H15-15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3300, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (52.5929, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3300,'cm^3/(mol*s)'), n=2.41, Ea=(52.5929,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Ca;CsJ-CbHH """, ) @@ -15998,18 +11306,11 @@ index = 805, label = "C5H8-3 + C8H9 <=> C13H17-16", degeneracy = 1.0, - kinetics = Arrhenius( - A = (811, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (49.6641, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(811,'cm^3/(mol*s)'), n=2.41, Ea=(49.6641,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Ca;CsJ-CbCsH """, ) @@ -16018,18 +11319,11 @@ index = 806, label = "C5H8-3 + C9H11-15 <=> C14H19-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (130, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (47.4466, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(130,'cm^3/(mol*s)'), n=2.41, Ea=(47.4466,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Ca;CsJ-CbCsCs """, ) @@ -16038,18 +11332,11 @@ index = 807, label = "C3H3 + C5H8-3 <=> C8H11-15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3050, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (51.5469, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3050,'cm^3/(mol*s)'), n=2.41, Ea=(51.5469,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Ca;CsJ-CtHH """, ) @@ -16058,18 +11345,11 @@ index = 808, label = "C4H5-12 + C5H8-3 <=> C9H13-21", degeneracy = 1.0, - kinetics = Arrhenius( - A = (687, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (49.6222, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(687,'cm^3/(mol*s)'), n=2.41, Ea=(49.6222,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Ca;CsJ-CtCsH """, ) @@ -16078,18 +11358,11 @@ index = 809, label = "C5H7-5 + C5H8-3 <=> C10H15-21", degeneracy = 1.0, - kinetics = Arrhenius( - A = (175, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (46.7771, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(175,'cm^3/(mol*s)'), n=2.41, Ea=(46.7771,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Ca;CsJ-CtCsCs """, ) @@ -16098,18 +11371,11 @@ index = 810, label = "C2H3 + C5H8-3 <=> C7H11-26", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4610, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (19.9995, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4610,'cm^3/(mol*s)'), n=2.41, Ea=(19.9995,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Ca;CdsJ-H """, ) @@ -16118,18 +11384,11 @@ index = 811, label = "C5H8-3 + C3H5 <=> C8H13-29", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2440, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (19.079, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2440,'cm^3/(mol*s)'), n=2.41, Ea=(19.079,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Ca;CdsJ-Cs """, ) @@ -16138,18 +11397,11 @@ index = 812, label = "C5H8-3 + C6H5 <=> C11H13-10", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7280, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (9.99976, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7280,'cm^3/(mol*s)'), n=2.41, Ea=(9.99976,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Ca;CbJ """, ) @@ -16158,18 +11410,11 @@ index = 813, label = "CH3 + C4H6-2 <=> C5H9-8", degeneracy = 2.0, - kinetics = Arrhenius( - A = (26400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (29.539, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(26400,'cm^3/(mol*s)'), n=2.41, Ea=(29.539,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-HH;CsJ-HHH """, ) @@ -16178,18 +11423,11 @@ index = 814, label = "C4H6-2 + C2H5 <=> C6H11-14", degeneracy = 2.0, - kinetics = Arrhenius( - A = (2680, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (27.1542, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2680,'cm^3/(mol*s)'), n=2.41, Ea=(27.1542,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-HH;CsJ-CsHH """, ) @@ -16198,18 +11436,11 @@ index = 815, label = "C4H6-2 + C3H7-2 <=> C7H13-20", degeneracy = 2.0, - kinetics = Arrhenius( - A = (2160, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (22.1752, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2160,'cm^3/(mol*s)'), n=2.41, Ea=(22.1752,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-HH;CsJ-CsCsH """, ) @@ -16218,18 +11449,11 @@ index = 816, label = "C4H6-2 + C4H9 <=> C8H15-19", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1596, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (16.2758, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1596,'cm^3/(mol*s)'), n=2.41, Ea=(16.2758,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-HH;CsJ-CsCsCs """, ) @@ -16238,18 +11462,11 @@ index = 817, label = "C4H6-2 + allyl <=> C7H11-27", degeneracy = 4.0, - kinetics = Arrhenius( - A = (56000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (55.8564, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(56000,'cm^3/(mol*s)'), n=2.41, Ea=(55.8564,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-HH;CsJ-CdHH """, ) @@ -16258,18 +11475,11 @@ index = 818, label = "C4H6-2 + C4H7-2 <=> C8H13-30", degeneracy = 2.0, - kinetics = Arrhenius( - A = (4860, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (54.8522, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4860,'cm^3/(mol*s)'), n=2.41, Ea=(54.8522,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-HH;CsJ-CdCsH """, ) @@ -16278,18 +11488,11 @@ index = 819, label = "C4H6-2 + C5H9 <=> C9H15-30", degeneracy = 2.0, - kinetics = Arrhenius( - A = (628, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (50.7938, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(628,'cm^3/(mol*s)'), n=2.41, Ea=(50.7938,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-HH;CsJ-CdCsCs """, ) @@ -16298,18 +11501,11 @@ index = 820, label = "C4H6-2 + C5H7-3 <=> C9H13-22", degeneracy = 2.0, - kinetics = Arrhenius( - A = (9800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (74.8936, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9800,'cm^3/(mol*s)'), n=2.41, Ea=(74.8936,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-HH;CsJ-CdCdH """, ) @@ -16318,18 +11514,11 @@ index = 821, label = "C6H9-12 + C4H6-2 <=> C10H15-22", degeneracy = 2.0, - kinetics = Arrhenius( - A = (3340, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (74.1405, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3340,'cm^3/(mol*s)'), n=2.41, Ea=(74.1405,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-HH;CsJ-CdCdCs """, ) @@ -16338,18 +11527,11 @@ index = 822, label = "C4H6-2 + C7H7-3 <=> C11H13-11", degeneracy = 2.0, - kinetics = Arrhenius( - A = (12940, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (46.1495, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(12940,'cm^3/(mol*s)'), n=2.41, Ea=(46.1495,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-HH;CsJ-CbHH """, ) @@ -16358,18 +11540,11 @@ index = 823, label = "C4H6-2 + C8H9 <=> C12H15-16", degeneracy = 2.0, - kinetics = Arrhenius( - A = (3180, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.2207, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3180,'cm^3/(mol*s)'), n=2.41, Ea=(43.2207,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-HH;CsJ-CbCsH """, ) @@ -16378,18 +11553,11 @@ index = 824, label = "C4H6-2 + C9H11-15 <=> C13H17-17", degeneracy = 2.0, - kinetics = Arrhenius( - A = (510, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (40.9614, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(510,'cm^3/(mol*s)'), n=2.41, Ea=(40.9614,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-HH;CsJ-CbCsCs """, ) @@ -16398,18 +11566,11 @@ index = 825, label = "C3H3 + C4H6-2 <=> C7H9-37", degeneracy = 2.0, - kinetics = Arrhenius( - A = (11960, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (45.1035, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(11960,'cm^3/(mol*s)'), n=2.41, Ea=(45.1035,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-HH;CsJ-CtHH """, ) @@ -16418,18 +11579,11 @@ index = 826, label = "C4H5-12 + C4H6-2 <=> C8H11-16", degeneracy = 2.0, - kinetics = Arrhenius( - A = (2700, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.1789, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2700,'cm^3/(mol*s)'), n=2.41, Ea=(43.1789,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-HH;CsJ-CtCsH """, ) @@ -16438,18 +11592,11 @@ index = 827, label = "C5H7-5 + C4H6-2 <=> C9H13-23", degeneracy = 2.0, - kinetics = Arrhenius( - A = (688, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (40.3338, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(688,'cm^3/(mol*s)'), n=2.41, Ea=(40.3338,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-HH;CsJ-CtCsCs """, ) @@ -16458,18 +11605,11 @@ index = 828, label = "C2H3 + C4H6-2 <=> C6H9-21", degeneracy = 2.0, - kinetics = Arrhenius( - A = (18100, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (13.5143, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(18100,'cm^3/(mol*s)'), n=2.41, Ea=(13.5143,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-HH;CdsJ-H """, ) @@ -16478,18 +11618,11 @@ index = 829, label = "C3H5 + C4H6-2 <=> C7H11-28", degeneracy = 2.0, - kinetics = Arrhenius( - A = (9600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (12.6357, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9600,'cm^3/(mol*s)'), n=2.41, Ea=(12.6357,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-HH;CdsJ-Cs """, ) @@ -16498,18 +11631,11 @@ index = 830, label = "C4H6-2 + C6H5 <=> C10H11-23", degeneracy = 2.0, - kinetics = Arrhenius( - A = (28600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (3.5564, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(28600,'cm^3/(mol*s)'), n=2.41, Ea=(3.5564,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-HH;CbJ """, ) @@ -16518,18 +11644,11 @@ index = 831, label = "CH3 + C5H8-4 <=> C6H11-15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (13300, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (28.242, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(13300,'cm^3/(mol*s)'), n=2.41, Ea=(28.242,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CsH;CsJ-HHH """, ) @@ -16538,18 +11657,11 @@ index = 832, label = "C5H8-4 + C2H5 <=> C7H13-21", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1350, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (25.8571, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1350,'cm^3/(mol*s)'), n=2.41, Ea=(25.8571,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CsH;CsJ-CsHH """, ) @@ -16558,18 +11670,11 @@ index = 833, label = "C5H8-4 + C3H7-2 <=> C8H15-20", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1080, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (20.8782, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1080,'cm^3/(mol*s)'), n=2.41, Ea=(20.8782,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CsH;CsJ-CsCsH """, ) @@ -16578,18 +11683,11 @@ index = 834, label = "C5H8-4 + C4H9 <=> C9H17-14", degeneracy = 1.0, - kinetics = Arrhenius( - A = (801, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (14.9369, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(801,'cm^3/(mol*s)'), n=2.41, Ea=(14.9369,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CsH;CsJ-CsCsCs """, ) @@ -16598,18 +11696,11 @@ index = 835, label = "C5H8-4 + allyl <=> C8H13-31", degeneracy = 2.0, - kinetics = Arrhenius( - A = (28000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (54.5594, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(28000,'cm^3/(mol*s)'), n=2.41, Ea=(54.5594,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CsH;CsJ-CdHH """, ) @@ -16618,18 +11709,11 @@ index = 836, label = "C4H7-2 + C5H8-4 <=> C9H15-31", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2440, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (53.5552, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2440,'cm^3/(mol*s)'), n=2.41, Ea=(53.5552,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CsH;CsJ-CdCsH """, ) @@ -16638,18 +11722,11 @@ index = 837, label = "C5H8-4 + C5H9 <=> C10H17-22", degeneracy = 1.0, - kinetics = Arrhenius( - A = (316, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (49.4967, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(316,'cm^3/(mol*s)'), n=2.41, Ea=(49.4967,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CsH;CsJ-CdCsCs """, ) @@ -16658,18 +11735,11 @@ index = 838, label = "C5H7-3 + C5H8-4 <=> C10H15-23", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4920, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (73.5966, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4920,'cm^3/(mol*s)'), n=2.41, Ea=(73.5966,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CsH;CsJ-CdCdH """, ) @@ -16678,18 +11748,11 @@ index = 839, label = "C5H8-4 + C6H9-12 <=> C11H17-16", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1680, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (72.8016, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1680,'cm^3/(mol*s)'), n=2.41, Ea=(72.8016,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CsH;CsJ-CdCdCs """, ) @@ -16698,18 +11761,11 @@ index = 840, label = "C5H8-4 + C7H7-3 <=> C12H15-17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6500, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (44.8525, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6500,'cm^3/(mol*s)'), n=2.41, Ea=(44.8525,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CsH;CsJ-CbHH """, ) @@ -16718,18 +11774,11 @@ index = 841, label = "C5H8-4 + C8H9 <=> C13H17-18", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (41.9237, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1600,'cm^3/(mol*s)'), n=2.41, Ea=(41.9237,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CsH;CsJ-CbCsH """, ) @@ -16738,18 +11787,11 @@ index = 842, label = "C5H8-4 + C9H11-15 <=> C14H19-13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (256, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (39.6643, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(256,'cm^3/(mol*s)'), n=2.41, Ea=(39.6643,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CsH;CsJ-CbCsCs """, ) @@ -16758,18 +11800,11 @@ index = 843, label = "C3H3 + C5H8-4 <=> C8H11-17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6010, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.8065, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6010,'cm^3/(mol*s)'), n=2.41, Ea=(43.8065,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CsH;CsJ-CtHH """, ) @@ -16778,18 +11813,11 @@ index = 844, label = "C4H5-12 + C5H8-4 <=> C9H13-24", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1350, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (41.8818, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1350,'cm^3/(mol*s)'), n=2.41, Ea=(41.8818,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CsH;CsJ-CtCsH """, ) @@ -16798,18 +11826,11 @@ index = 845, label = "C5H7-5 + C5H8-4 <=> C10H15-24", degeneracy = 1.0, - kinetics = Arrhenius( - A = (346, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (38.9949, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(346,'cm^3/(mol*s)'), n=2.41, Ea=(38.9949,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CsH;CsJ-CtCsCs """, ) @@ -16818,18 +11839,11 @@ index = 846, label = "C2H3 + C5H8-4 <=> C7H11-29", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9090, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (12.2173, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9090,'cm^3/(mol*s)'), n=2.41, Ea=(12.2173,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CsH;CdsJ-H """, ) @@ -16838,18 +11852,11 @@ index = 847, label = "C3H5 + C5H8-4 <=> C8H13-32", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4820, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (11.3386, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4820,'cm^3/(mol*s)'), n=2.41, Ea=(11.3386,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CsH;CdsJ-Cs """, ) @@ -16858,18 +11865,11 @@ index = 848, label = "C5H8-4 + C6H5 <=> C11H13-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (14400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (2.25936, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(14400,'cm^3/(mol*s)'), n=2.41, Ea=(2.25936,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CsH;CbJ """, ) @@ -16878,18 +11878,11 @@ index = 849, label = "CH3 + C6H10-3 <=> C7H13-22", degeneracy = 1.0, - kinetics = Arrhenius( - A = (16700, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (26.6521, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(16700,'cm^3/(mol*s)'), n=2.41, Ea=(26.6521,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CsCs;CsJ-HHH """, ) @@ -16898,18 +11891,11 @@ index = 850, label = "C6H10-3 + C2H5 <=> C8H15-21", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1700, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (24.2672, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1700,'cm^3/(mol*s)'), n=2.41, Ea=(24.2672,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CsCs;CsJ-CsHH """, ) @@ -16918,18 +11904,11 @@ index = 851, label = "C6H10-3 + C3H7-2 <=> C9H17-15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1360, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (19.2464, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1360,'cm^3/(mol*s)'), n=2.41, Ea=(19.2464,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CsCs;CsJ-CsCsH """, ) @@ -16938,18 +11917,11 @@ index = 852, label = "C6H10-3 + C4H9 <=> C10H19-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1010, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (13.347, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1010,'cm^3/(mol*s)'), n=2.41, Ea=(13.347,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CsCs;CsJ-CsCsCs """, ) @@ -16958,18 +11930,11 @@ index = 853, label = "allyl + C6H10-3 <=> C9H15-32", degeneracy = 2.0, - kinetics = Arrhenius( - A = (35200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (52.9694, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(35200,'cm^3/(mol*s)'), n=2.41, Ea=(52.9694,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CsCs;CsJ-CdHH """, ) @@ -16978,18 +11943,11 @@ index = 854, label = "C6H10-3 + C4H7-2 <=> C10H17-23", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3070, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (51.9653, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3070,'cm^3/(mol*s)'), n=2.41, Ea=(51.9653,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CsCs;CsJ-CdCsH """, ) @@ -16998,18 +11956,11 @@ index = 855, label = "C5H9 + C6H10-3 <=> C11H19-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (397, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (47.865, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(397,'cm^3/(mol*s)'), n=2.41, Ea=(47.865,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CsCs;CsJ-CdCsCs """, ) @@ -17018,18 +11969,11 @@ index = 856, label = "C6H10-3 + C5H7-3 <=> C11H17-17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6190, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (71.9648, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6190,'cm^3/(mol*s)'), n=2.41, Ea=(71.9648,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CsCs;CsJ-CdCdH """, ) @@ -17038,18 +11982,11 @@ index = 857, label = "C6H9-12 + C6H10-3 <=> C12H19-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2110, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (71.2117, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2110,'cm^3/(mol*s)'), n=2.41, Ea=(71.2117,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CsCs;CsJ-CdCdCs """, ) @@ -17058,18 +11995,11 @@ index = 858, label = "C6H10-3 + C7H7-3 <=> C13H17-19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8180, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.2207, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8180,'cm^3/(mol*s)'), n=2.41, Ea=(43.2207,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CsCs;CsJ-CbHH """, ) @@ -17078,18 +12008,11 @@ index = 859, label = "C6H10-3 + C8H9 <=> C14H19-14", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2010, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (40.2919, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2010,'cm^3/(mol*s)'), n=2.41, Ea=(40.2919,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CsCs;CsJ-CbCsH """, ) @@ -17098,18 +12021,11 @@ index = 860, label = "C6H10-3 + C9H11-15 <=> C15H21-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (322, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (38.0744, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(322,'cm^3/(mol*s)'), n=2.41, Ea=(38.0744,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CsCs;CsJ-CbCsCs """, ) @@ -17118,18 +12034,11 @@ index = 861, label = "C3H3 + C6H10-3 <=> C9H13-25", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7560, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (42.1747, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7560,'cm^3/(mol*s)'), n=2.41, Ea=(42.1747,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CsCs;CsJ-CtHH """, ) @@ -17138,18 +12047,11 @@ index = 862, label = "C4H5-12 + C6H10-3 <=> C10H15-25", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1700, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (40.2501, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1700,'cm^3/(mol*s)'), n=2.41, Ea=(40.2501,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CsCs;CsJ-CtCsH """, ) @@ -17158,18 +12060,11 @@ index = 863, label = "C5H7-5 + C6H10-3 <=> C11H17-18", degeneracy = 1.0, - kinetics = Arrhenius( - A = (435, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (37.405, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(435,'cm^3/(mol*s)'), n=2.41, Ea=(37.405,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CsCs;CsJ-CtCsCs """, ) @@ -17178,18 +12073,11 @@ index = 864, label = "C2H3 + C6H10-3 <=> C8H13-33", degeneracy = 1.0, - kinetics = Arrhenius( - A = (11400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (10.6274, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(11400,'cm^3/(mol*s)'), n=2.41, Ea=(10.6274,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CsCs;CdsJ-H """, ) @@ -17198,18 +12086,11 @@ index = 865, label = "C3H5 + C6H10-3 <=> C9H15-33", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6060, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (9.70688, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6060,'cm^3/(mol*s)'), n=2.41, Ea=(9.70688,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CsCs;CdsJ-Cs """, ) @@ -17218,18 +12099,11 @@ index = 866, label = "C6H10-3 + C6H5 <=> C12H15-18", degeneracy = 1.0, - kinetics = Arrhenius( - A = (18100, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (0.6276, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(18100,'cm^3/(mol*s)'), n=2.41, Ea=(0.6276,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CsCs;CbJ """, ) @@ -17238,18 +12112,11 @@ index = 867, label = "CH3 + C6H8-3 <=> C7H11-30", degeneracy = 2.0, - kinetics = Arrhenius( - A = (29800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (16.5686, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(29800,'cm^3/(mol*s)'), n=2.41, Ea=(16.5686,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdH;CsJ-HHH """, ) @@ -17258,18 +12125,11 @@ index = 868, label = "C6H8-3 + C2H5 <=> C8H13-34", degeneracy = 2.0, - kinetics = Arrhenius( - A = (3020, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (14.1838, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3020,'cm^3/(mol*s)'), n=2.41, Ea=(14.1838,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdH;CsJ-CsHH """, ) @@ -17278,18 +12138,11 @@ index = 869, label = "C6H8-3 + C3H7-2 <=> C9H15-34", degeneracy = 2.0, - kinetics = Arrhenius( - A = (2420, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (9.16296, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2420,'cm^3/(mol*s)'), n=2.41, Ea=(9.16296,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdH;CsJ-CsCsH """, ) @@ -17298,18 +12151,11 @@ index = 870, label = "C6H8-3 + C4H9 <=> C10H17-24", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (3.26352, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1800,'cm^3/(mol*s)'), n=2.41, Ea=(3.26352,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdH;CsJ-CsCsCs """, ) @@ -17318,18 +12164,11 @@ index = 871, label = "C6H8-3 + allyl <=> C9H13-26", degeneracy = 4.0, - kinetics = Arrhenius( - A = (62800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (42.886, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(62800,'cm^3/(mol*s)'), n=2.41, Ea=(42.886,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdH;CsJ-CdHH """, ) @@ -17338,18 +12177,11 @@ index = 872, label = "C6H8-3 + C4H7-2 <=> C10H15-26", degeneracy = 2.0, - kinetics = Arrhenius( - A = (5480, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (41.8818, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5480,'cm^3/(mol*s)'), n=2.41, Ea=(41.8818,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdH;CsJ-CdCsH """, ) @@ -17358,18 +12190,11 @@ index = 873, label = "C5H9 + C6H8-3 <=> C11H17-19", degeneracy = 2.0, - kinetics = Arrhenius( - A = (708, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (37.8234, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(708,'cm^3/(mol*s)'), n=2.41, Ea=(37.8234,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdH;CsJ-CdCsCs """, ) @@ -17378,18 +12203,11 @@ index = 874, label = "C6H8-3 + C5H7-3 <=> C11H15-25", degeneracy = 2.0, - kinetics = Arrhenius( - A = (11060, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (61.8814, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(11060,'cm^3/(mol*s)'), n=2.41, Ea=(61.8814,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdH;CsJ-CdCdH """, ) @@ -17398,18 +12216,11 @@ index = 875, label = "C6H9-12 + C6H8-3 <=> C12H17-23", degeneracy = 2.0, - kinetics = Arrhenius( - A = (3780, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (61.1282, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3780,'cm^3/(mol*s)'), n=2.41, Ea=(61.1282,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdH;CsJ-CdCdCs """, ) @@ -17418,18 +12229,11 @@ index = 876, label = "C6H8-3 + C7H7-3 <=> C13H15-15", degeneracy = 2.0, - kinetics = Arrhenius( - A = (14600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (33.1373, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(14600,'cm^3/(mol*s)'), n=2.41, Ea=(33.1373,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdH;CsJ-CbHH """, ) @@ -17438,18 +12242,11 @@ index = 877, label = "C6H8-3 + C8H9 <=> C14H17-17", degeneracy = 2.0, - kinetics = Arrhenius( - A = (3580, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (30.2503, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3580,'cm^3/(mol*s)'), n=2.41, Ea=(30.2503,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdH;CsJ-CbCsH """, ) @@ -17458,18 +12255,11 @@ index = 878, label = "C6H8-3 + C9H11-15 <=> C15H19-14", degeneracy = 2.0, - kinetics = Arrhenius( - A = (574, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (27.991, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(574,'cm^3/(mol*s)'), n=2.41, Ea=(27.991,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdH;CsJ-CbCsCs """, ) @@ -17478,18 +12268,11 @@ index = 879, label = "C3H3 + C6H8-3 <=> C9H11-23", degeneracy = 2.0, - kinetics = Arrhenius( - A = (13500, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (32.1331, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(13500,'cm^3/(mol*s)'), n=2.41, Ea=(32.1331,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdH;CsJ-CtHH """, ) @@ -17498,18 +12281,11 @@ index = 880, label = "C4H5-12 + C6H8-3 <=> C10H13-20", degeneracy = 2.0, - kinetics = Arrhenius( - A = (3040, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (30.1666, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3040,'cm^3/(mol*s)'), n=2.41, Ea=(30.1666,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdH;CsJ-CtCsH """, ) @@ -17518,18 +12294,11 @@ index = 881, label = "C5H7-5 + C6H8-3 <=> C11H15-26", degeneracy = 2.0, - kinetics = Arrhenius( - A = (776, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (27.3215, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(776,'cm^3/(mol*s)'), n=2.41, Ea=(27.3215,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdH;CsJ-CtCsCs """, ) @@ -17538,18 +12307,11 @@ index = 882, label = "C2H3 + C6H8-3 <=> C8H11-18", degeneracy = 2.0, - kinetics = Arrhenius( - A = (20400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (0.54392, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(20400,'cm^3/(mol*s)'), n=2.41, Ea=(0.54392,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdH;CdsJ-H """, ) @@ -17558,18 +12320,11 @@ index = 883, label = "C3H5 + C6H8-3 <=> C9H13-27", degeneracy = 2.0, - kinetics = Arrhenius( - A = (10820, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-0.33472, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(10820,'cm^3/(mol*s)'), n=2.41, Ea=(-0.33472,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdH;CdsJ-Cs """, ) @@ -17578,18 +12333,11 @@ index = 884, label = "C6H8-3 + C6H5 <=> C12H13-10", degeneracy = 2.0, - kinetics = Arrhenius( - A = (32200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-9.45584, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(32200,'cm^3/(mol*s)'), n=2.41, Ea=(-9.45584,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdH;CbJ """, ) @@ -17598,18 +12346,11 @@ index = 885, label = "CH3 + C7H10-5 <=> C8H13-35", degeneracy = 1.0, - kinetics = Arrhenius( - A = (16900, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (14.8114, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(16900,'cm^3/(mol*s)'), n=2.41, Ea=(14.8114,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdCs;CsJ-HHH """, ) @@ -17618,18 +12359,11 @@ index = 886, label = "C7H10-5 + C2H5 <=> C9H15-35", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1720, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (12.4265, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1720,'cm^3/(mol*s)'), n=2.41, Ea=(12.4265,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdCs;CsJ-CsHH """, ) @@ -17638,18 +12372,11 @@ index = 887, label = "C7H10-5 + C3H7-2 <=> C10H17-25", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1380, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (7.40568, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1380,'cm^3/(mol*s)'), n=2.41, Ea=(7.40568,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdCs;CsJ-CsCsH """, ) @@ -17658,18 +12385,11 @@ index = 888, label = "C7H10-5 + C4H9 <=> C11H19-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1020, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (1.50624, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1020,'cm^3/(mol*s)'), n=2.41, Ea=(1.50624,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdCs;CsJ-CsCsCs """, ) @@ -17678,18 +12398,11 @@ index = 889, label = "allyl + C7H10-5 <=> C10H15-27", degeneracy = 2.0, - kinetics = Arrhenius( - A = (35800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (41.1287, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(35800,'cm^3/(mol*s)'), n=2.41, Ea=(41.1287,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdCs;CsJ-CdHH """, ) @@ -17698,18 +12411,11 @@ index = 890, label = "C7H10-5 + C4H7-2 <=> C11H17-20", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3110, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (40.1246, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3110,'cm^3/(mol*s)'), n=2.41, Ea=(40.1246,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdCs;CsJ-CdCsH """, ) @@ -17718,18 +12424,11 @@ index = 891, label = "C5H9 + C7H10-5 <=> C12H19-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (402, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (36.0661, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(402,'cm^3/(mol*s)'), n=2.41, Ea=(36.0661,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdCs;CsJ-CdCsCs """, ) @@ -17738,18 +12437,11 @@ index = 892, label = "C5H7-3 + C7H10-5 <=> C12H17-24", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6270, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (60.1241, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6270,'cm^3/(mol*s)'), n=2.41, Ea=(60.1241,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdCs;CsJ-CdCdH """, ) @@ -17758,18 +12450,11 @@ index = 893, label = "C6H9-12 + C7H10-5 <=> C13H19-16", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2140, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (59.371, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2140,'cm^3/(mol*s)'), n=2.41, Ea=(59.371,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdCs;CsJ-CdCdCs """, ) @@ -17778,18 +12463,11 @@ index = 894, label = "C7H10-5 + C7H7-3 <=> C14H17-18", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8280, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (31.38, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8280,'cm^3/(mol*s)'), n=2.41, Ea=(31.38,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdCs;CsJ-CbHH """, ) @@ -17798,18 +12476,11 @@ index = 895, label = "C7H10-5 + C8H9 <=> C15H19-15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2040, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (28.493, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2040,'cm^3/(mol*s)'), n=2.41, Ea=(28.493,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdCs;CsJ-CbCsH """, ) @@ -17818,18 +12489,11 @@ index = 896, label = "C7H10-5 + C9H11-15 <=> C16H21-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (326, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (26.2337, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(326,'cm^3/(mol*s)'), n=2.41, Ea=(26.2337,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdCs;CsJ-CbCsCs """, ) @@ -17838,18 +12502,11 @@ index = 897, label = "C3H3 + C7H10-5 <=> C10H13-21", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7660, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (30.3758, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7660,'cm^3/(mol*s)'), n=2.41, Ea=(30.3758,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdCs;CsJ-CtHH """, ) @@ -17858,18 +12515,11 @@ index = 898, label = "C4H5-12 + C7H10-5 <=> C11H15-27", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1730, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (28.4094, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1730,'cm^3/(mol*s)'), n=2.41, Ea=(28.4094,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdCs;CsJ-CtCsH """, ) @@ -17878,18 +12528,11 @@ index = 899, label = "C5H7-5 + C7H10-5 <=> C12H17-25", degeneracy = 1.0, - kinetics = Arrhenius( - A = (440, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (25.5642, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(440,'cm^3/(mol*s)'), n=2.41, Ea=(25.5642,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdCs;CsJ-CtCsCs """, ) @@ -17898,18 +12541,11 @@ index = 900, label = "C2H3 + C7H10-5 <=> C9H13-28", degeneracy = 1.0, - kinetics = Arrhenius( - A = (11600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-1.21336, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(11600,'cm^3/(mol*s)'), n=2.41, Ea=(-1.21336,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdCs;CdsJ-H """, ) @@ -17918,18 +12554,11 @@ index = 901, label = "C3H5 + C7H10-5 <=> C10H15-28", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6140, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-2.092, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6140,'cm^3/(mol*s)'), n=2.41, Ea=(-2.092,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdCs;CdsJ-Cs """, ) @@ -17938,18 +12567,11 @@ index = 902, label = "C7H10-5 + C6H5 <=> C13H15-16", degeneracy = 1.0, - kinetics = Arrhenius( - A = (18300, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-11.2131, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(18300,'cm^3/(mol*s)'), n=2.41, Ea=(-11.2131,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdCs;CbJ """, ) @@ -17958,18 +12580,11 @@ index = 903, label = "CH3 + C8H10 <=> C9H13-29", degeneracy = 1.0, - kinetics = Arrhenius( - A = (51600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (11.0458, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(51600,'cm^3/(mol*s)'), n=2.41, Ea=(11.0458,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdCd;CsJ-HHH """, ) @@ -17978,18 +12593,11 @@ index = 904, label = "C8H10 + C2H5 <=> C10H15-29", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5240, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (8.66088, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5240,'cm^3/(mol*s)'), n=2.41, Ea=(8.66088,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdCd;CsJ-CsHH """, ) @@ -17998,18 +12606,11 @@ index = 905, label = "C8H10 + C3H7-2 <=> C11H17-21", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (3.64008, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4200,'cm^3/(mol*s)'), n=2.41, Ea=(3.64008,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdCd;CsJ-CsCsH """, ) @@ -18018,18 +12619,11 @@ index = 906, label = "C8H10 + C4H9 <=> C12H19-10", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3110, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-2.25936, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3110,'cm^3/(mol*s)'), n=2.41, Ea=(-2.25936,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdCd;CsJ-CsCsCs """, ) @@ -18038,18 +12632,11 @@ index = 907, label = "C8H10 + allyl <=> C11H15-28", degeneracy = 2.0, - kinetics = Arrhenius( - A = (108800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (37.3631, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(108800,'cm^3/(mol*s)'), n=2.41, Ea=(37.3631,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdCd;CsJ-CdHH """, ) @@ -18058,18 +12645,11 @@ index = 908, label = "C8H10 + C4H7-2 <=> C12H17-26", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9480, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (36.359, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9480,'cm^3/(mol*s)'), n=2.41, Ea=(36.359,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdCd;CsJ-CdCsH """, ) @@ -18078,18 +12658,11 @@ index = 909, label = "C8H10 + C5H9 <=> C13H19-17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1230, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (32.2586, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1230,'cm^3/(mol*s)'), n=2.41, Ea=(32.2586,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdCd;CsJ-CdCsCs """, ) @@ -18098,18 +12671,11 @@ index = 910, label = "C8H10 + C5H7-3 <=> C13H17-20", degeneracy = 1.0, - kinetics = Arrhenius( - A = (19100, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (56.3585, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(19100,'cm^3/(mol*s)'), n=2.41, Ea=(56.3585,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdCd;CsJ-CdCdH """, ) @@ -18118,18 +12684,11 @@ index = 911, label = "C8H10 + C6H9-12 <=> C14H19-15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6530, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (55.6054, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6530,'cm^3/(mol*s)'), n=2.41, Ea=(55.6054,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdCd;CsJ-CdCdCs """, ) @@ -18138,18 +12697,11 @@ index = 912, label = "C8H10 + C7H7-3 <=> C15H17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (25200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (27.6144, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(25200,'cm^3/(mol*s)'), n=2.41, Ea=(27.6144,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdCd;CsJ-CbHH """, ) @@ -18158,18 +12710,11 @@ index = 913, label = "C8H10 + C8H9 <=> C16H19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6210, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (24.7274, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6210,'cm^3/(mol*s)'), n=2.41, Ea=(24.7274,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdCd;CsJ-CbCsH """, ) @@ -18178,18 +12723,11 @@ index = 914, label = "C8H10 + C9H11-15 <=> C17H21", degeneracy = 1.0, - kinetics = Arrhenius( - A = (993, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (22.4681, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(993,'cm^3/(mol*s)'), n=2.41, Ea=(22.4681,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdCd;CsJ-CbCsCs """, ) @@ -18198,18 +12736,11 @@ index = 915, label = "C3H3 + C8H10 <=> C11H13-13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (23300, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (26.6102, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(23300,'cm^3/(mol*s)'), n=2.41, Ea=(26.6102,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdCd;CsJ-CtHH """, ) @@ -18218,18 +12749,11 @@ index = 916, label = "C4H5-12 + C8H10 <=> C12H15-19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5260, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (24.6438, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5260,'cm^3/(mol*s)'), n=2.41, Ea=(24.6438,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdCd;CsJ-CtCsH """, ) @@ -18238,18 +12762,11 @@ index = 917, label = "C5H7-5 + C8H10 <=> C13H17-21", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1340, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (21.7986, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1340,'cm^3/(mol*s)'), n=2.41, Ea=(21.7986,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdCd;CsJ-CtCsCs """, ) @@ -18258,18 +12775,11 @@ index = 918, label = "C2H3 + C8H10 <=> C10H13-22", degeneracy = 1.0, - kinetics = Arrhenius( - A = (35300, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-4.97896, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(35300,'cm^3/(mol*s)'), n=2.41, Ea=(-4.97896,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdCd;CdsJ-H """, ) @@ -18278,18 +12788,11 @@ index = 919, label = "C3H5 + C8H10 <=> C11H15-29", degeneracy = 1.0, - kinetics = Arrhenius( - A = (18700, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-5.8576, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(18700,'cm^3/(mol*s)'), n=2.41, Ea=(-5.8576,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdCd;CdsJ-Cs """, ) @@ -18298,18 +12801,11 @@ index = 920, label = "C8H10 + C6H5 <=> C14H15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (55700, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-14.9787, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(55700,'cm^3/(mol*s)'), n=2.41, Ea=(-14.9787,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdCd;CbJ """, ) @@ -18318,18 +12814,11 @@ index = 921, label = "CH3 + C10H10-15 <=> C11H13-14", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4870, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (23.8906, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4870,'cm^3/(mol*s)'), n=2.41, Ea=(23.8906,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CbH;CsJ-HHH """, ) @@ -18338,18 +12827,11 @@ index = 922, label = "C10H10-15 + C2H5 <=> C12H15-20", degeneracy = 1.0, - kinetics = Arrhenius( - A = (494, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (21.5058, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(494,'cm^3/(mol*s)'), n=2.41, Ea=(21.5058,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CbH;CsJ-CsHH """, ) @@ -18358,18 +12840,11 @@ index = 923, label = "C10H10-15 + C3H7-2 <=> C13H17-22", degeneracy = 1.0, - kinetics = Arrhenius( - A = (397, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (16.5268, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(397,'cm^3/(mol*s)'), n=2.41, Ea=(16.5268,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CbH;CsJ-CsCsH """, ) @@ -18378,18 +12853,11 @@ index = 924, label = "C10H10-15 + C4H9 <=> C14H19-16", degeneracy = 1.0, - kinetics = Arrhenius( - A = (294, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (10.5855, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(294,'cm^3/(mol*s)'), n=2.41, Ea=(10.5855,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CbH;CsJ-CsCsCs """, ) @@ -18398,18 +12866,11 @@ index = 925, label = "allyl + C10H10-15 <=> C13H15-17", degeneracy = 2.0, - kinetics = Arrhenius( - A = (10280, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (50.208, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(10280,'cm^3/(mol*s)'), n=2.41, Ea=(50.208,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CbH;CsJ-CdHH """, ) @@ -18418,18 +12879,11 @@ index = 926, label = "C4H7-2 + C10H10-15 <=> C14H17-19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (895, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (49.2038, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(895,'cm^3/(mol*s)'), n=2.41, Ea=(49.2038,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CbH;CsJ-CdCsH """, ) @@ -18438,18 +12892,11 @@ index = 927, label = "C10H10-15 + C5H9 <=> C15H19-16", degeneracy = 1.0, - kinetics = Arrhenius( - A = (116, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (45.1454, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(116,'cm^3/(mol*s)'), n=2.41, Ea=(45.1454,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CbH;CsJ-CdCsCs """, ) @@ -18458,18 +12905,11 @@ index = 928, label = "C5H7-3 + C10H10-15 <=> C15H17-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (69.2452, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1800,'cm^3/(mol*s)'), n=2.41, Ea=(69.2452,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CbH;CsJ-CdCdH """, ) @@ -18478,18 +12918,11 @@ index = 929, label = "C10H10-15 + C6H9-12 <=> C16H19-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (616, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (68.4502, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(616,'cm^3/(mol*s)'), n=2.41, Ea=(68.4502,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CbH;CsJ-CdCdCs """, ) @@ -18498,18 +12931,11 @@ index = 930, label = "C10H10-15 + C7H7-3 <=> C17H17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2380, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (40.5011, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2380,'cm^3/(mol*s)'), n=2.41, Ea=(40.5011,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CbH;CsJ-CbHH """, ) @@ -18518,18 +12944,11 @@ index = 931, label = "C10H10-15 + C8H9 <=> C18H19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (586, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (37.5723, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(586,'cm^3/(mol*s)'), n=2.41, Ea=(37.5723,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CbH;CsJ-CbCsH """, ) @@ -18538,18 +12957,11 @@ index = 932, label = "C10H10-15 + C9H11-15 <=> C19H21", degeneracy = 1.0, - kinetics = Arrhenius( - A = (93.7, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (35.313, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(93.7,'cm^3/(mol*s)'), n=2.41, Ea=(35.313,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CbH;CsJ-CbCsCs """, ) @@ -18558,18 +12970,11 @@ index = 933, label = "C3H3 + C10H10-15 <=> C13H13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (39.4551, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2200,'cm^3/(mol*s)'), n=2.41, Ea=(39.4551,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CbH;CsJ-CtHH """, ) @@ -18578,18 +12983,11 @@ index = 934, label = "C4H5-12 + C10H10-15 <=> C14H15-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (496, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (37.4886, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(496,'cm^3/(mol*s)'), n=2.41, Ea=(37.4886,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CbH;CsJ-CtCsH """, ) @@ -18598,18 +12996,11 @@ index = 935, label = "C5H7-5 + C10H10-15 <=> C15H17-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (127, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (34.6435, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(127,'cm^3/(mol*s)'), n=2.41, Ea=(34.6435,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CbH;CsJ-CtCsCs """, ) @@ -18618,18 +13009,11 @@ index = 936, label = "C2H3 + C10H10-15 <=> C12H13-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3330, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (7.86592, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3330,'cm^3/(mol*s)'), n=2.41, Ea=(7.86592,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CbH;CdsJ-H """, ) @@ -18638,18 +13022,11 @@ index = 937, label = "C3H5 + C10H10-15 <=> C13H15-18", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1770, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (6.98728, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1770,'cm^3/(mol*s)'), n=2.41, Ea=(6.98728,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CbH;CdsJ-Cs """, ) @@ -18658,18 +13035,11 @@ index = 938, label = "C10H10-15 + C6H5 <=> C16H15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5260, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-2.092, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5260,'cm^3/(mol*s)'), n=2.41, Ea=(-2.092,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CbH;CbJ """, ) @@ -18678,18 +13048,11 @@ index = 939, label = "CH3 + C11H12 <=> C12H15-21", degeneracy = 1.0, - kinetics = Arrhenius( - A = (10300, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (23.2212, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(10300,'cm^3/(mol*s)'), n=2.41, Ea=(23.2212,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CbCs;CsJ-HHH """, ) @@ -18698,18 +13061,11 @@ index = 940, label = "C11H12 + C2H5 <=> C13H17-23", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1050, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (20.8363, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1050,'cm^3/(mol*s)'), n=2.41, Ea=(20.8363,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CbCs;CsJ-CsHH """, ) @@ -18718,18 +13074,11 @@ index = 941, label = "C11H12 + C3H7-2 <=> C14H19-17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (841, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (15.8574, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(841,'cm^3/(mol*s)'), n=2.41, Ea=(15.8574,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CbCs;CsJ-CsCsH """, ) @@ -18738,18 +13087,11 @@ index = 942, label = "C11H12 + C4H9 <=> C15H21-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (623, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (9.91608, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(623,'cm^3/(mol*s)'), n=2.41, Ea=(9.91608,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CbCs;CsJ-CsCsCs """, ) @@ -18758,18 +13100,11 @@ index = 943, label = "C11H12 + allyl <=> C14H17-20", degeneracy = 2.0, - kinetics = Arrhenius( - A = (21800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (49.5386, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(21800,'cm^3/(mol*s)'), n=2.41, Ea=(49.5386,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CbCs;CsJ-CdHH """, ) @@ -18778,18 +13113,11 @@ index = 944, label = "C4H7-2 + C11H12 <=> C15H19-17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1900, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (48.5344, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1900,'cm^3/(mol*s)'), n=2.41, Ea=(48.5344,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CbCs;CsJ-CdCsH """, ) @@ -18798,18 +13126,11 @@ index = 945, label = "C11H12 + C5H9 <=> C16H21-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (245, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (44.4759, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(245,'cm^3/(mol*s)'), n=2.41, Ea=(44.4759,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CbCs;CsJ-CdCsCs """, ) @@ -18818,18 +13139,11 @@ index = 946, label = "C5H7-3 + C11H12 <=> C16H19-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3830, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (68.5758, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3830,'cm^3/(mol*s)'), n=2.41, Ea=(68.5758,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CbCs;CsJ-CdCdH """, ) @@ -18838,18 +13152,11 @@ index = 947, label = "C6H9-12 + C11H12 <=> C17H21-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1310, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (67.7808, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1310,'cm^3/(mol*s)'), n=2.41, Ea=(67.7808,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CbCs;CsJ-CdCdCs """, ) @@ -18858,18 +13165,11 @@ index = 948, label = "C11H12 + C7H7-3 <=> C18H19-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5050, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (39.8317, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5050,'cm^3/(mol*s)'), n=2.41, Ea=(39.8317,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CbCs;CsJ-CbHH """, ) @@ -18878,18 +13178,11 @@ index = 949, label = "C11H12 + C8H9 <=> C19H21-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1240, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (36.9029, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1240,'cm^3/(mol*s)'), n=2.41, Ea=(36.9029,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CbCs;CsJ-CbCsH """, ) @@ -18898,18 +13191,11 @@ index = 950, label = "C11H12 + C9H11-15 <=> C20H23", degeneracy = 1.0, - kinetics = Arrhenius( - A = (199, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (34.6435, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(199,'cm^3/(mol*s)'), n=2.41, Ea=(34.6435,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CbCs;CsJ-CbCsCs """, ) @@ -18918,18 +13204,11 @@ index = 951, label = "C3H3 + C11H12 <=> C14H15-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4670, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (38.7857, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4670,'cm^3/(mol*s)'), n=2.41, Ea=(38.7857,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CbCs;CsJ-CtHH """, ) @@ -18938,18 +13217,11 @@ index = 952, label = "C4H5-12 + C11H12 <=> C15H17-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1050, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (36.8192, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1050,'cm^3/(mol*s)'), n=2.41, Ea=(36.8192,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CbCs;CsJ-CtCsH """, ) @@ -18958,18 +13230,11 @@ index = 953, label = "C5H7-5 + C11H12 <=> C16H19-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (269, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (33.9741, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(269,'cm^3/(mol*s)'), n=2.41, Ea=(33.9741,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CbCs;CsJ-CtCsCs """, ) @@ -18978,18 +13243,11 @@ index = 954, label = "C2H3 + C11H12 <=> C13H15-19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7060, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (7.19648, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7060,'cm^3/(mol*s)'), n=2.41, Ea=(7.19648,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CbCs;CdsJ-H """, ) @@ -18998,18 +13256,11 @@ index = 955, label = "C3H5 + C11H12 <=> C14H17-21", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3740, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (6.31784, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3740,'cm^3/(mol*s)'), n=2.41, Ea=(6.31784,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CbCs;CdsJ-Cs """, ) @@ -19018,18 +13269,11 @@ index = 956, label = "C11H12 + C6H5 <=> C17H17-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (11200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-2.76144, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(11200,'cm^3/(mol*s)'), n=2.41, Ea=(-2.76144,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CbCs;CbJ """, ) @@ -19038,18 +13282,11 @@ index = 957, label = "C6H6-6 + CH3 <=> C7H9-38", degeneracy = 1.0, - kinetics = Arrhenius( - A = (19300, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (15.8992, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(19300,'cm^3/(mol*s)'), n=2.41, Ea=(15.8992,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CtH;CsJ-HHH """, ) @@ -19058,18 +13295,11 @@ index = 958, label = "C6H6-6 + C2H5 <=> C8H11-19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1960, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (13.5143, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1960,'cm^3/(mol*s)'), n=2.41, Ea=(13.5143,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CtH;CsJ-CsHH """, ) @@ -19078,18 +13308,11 @@ index = 959, label = "C6H6-6 + C3H7-2 <=> C9H13-30", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1570, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (8.53536, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1570,'cm^3/(mol*s)'), n=2.41, Ea=(8.53536,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CtH;CsJ-CsCsH """, ) @@ -19098,18 +13321,11 @@ index = 960, label = "C6H6-6 + C4H9 <=> C10H15-30", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1170, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (2.59408, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1170,'cm^3/(mol*s)'), n=2.41, Ea=(2.59408,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CtH;CsJ-CsCsCs """, ) @@ -19118,18 +13334,11 @@ index = 961, label = "C6H6-6 + allyl <=> C9H11-24", degeneracy = 2.0, - kinetics = Arrhenius( - A = (40800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (42.2166, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(40800,'cm^3/(mol*s)'), n=2.41, Ea=(42.2166,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CtH;CsJ-CdHH """, ) @@ -19138,18 +13347,11 @@ index = 962, label = "C6H6-6 + C4H7-2 <=> C10H13-23", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3550, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (41.2124, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3550,'cm^3/(mol*s)'), n=2.41, Ea=(41.2124,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CtH;CsJ-CdCsH """, ) @@ -19158,18 +13360,11 @@ index = 963, label = "C6H6-6 + C5H9 <=> C11H15-30", degeneracy = 1.0, - kinetics = Arrhenius( - A = (460, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (37.1539, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(460,'cm^3/(mol*s)'), n=2.41, Ea=(37.1539,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CtH;CsJ-CdCsCs """, ) @@ -19178,18 +13373,11 @@ index = 964, label = "C6H6-6 + C5H7-3 <=> C11H13-15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7160, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (61.2538, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7160,'cm^3/(mol*s)'), n=2.41, Ea=(61.2538,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CtH;CsJ-CdCdH """, ) @@ -19198,18 +13386,11 @@ index = 965, label = "C6H6-6 + C6H9-12 <=> C12H15-22", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2450, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (60.5006, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2450,'cm^3/(mol*s)'), n=2.41, Ea=(60.5006,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CtH;CsJ-CdCdCs """, ) @@ -19218,18 +13399,11 @@ index = 966, label = "C6H6-6 + C7H7-3 <=> C13H13-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9460, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (32.5097, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9460,'cm^3/(mol*s)'), n=2.41, Ea=(32.5097,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CtH;CsJ-CbHH """, ) @@ -19238,18 +13412,11 @@ index = 967, label = "C6H6-6 + C8H9 <=> C14H15-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2330, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (29.5809, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2330,'cm^3/(mol*s)'), n=2.41, Ea=(29.5809,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CtH;CsJ-CbCsH """, ) @@ -19258,18 +13425,11 @@ index = 968, label = "C6H6-6 + C9H11-15 <=> C15H17-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (372, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (27.3215, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(372,'cm^3/(mol*s)'), n=2.41, Ea=(27.3215,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CtH;CsJ-CbCsCs """, ) @@ -19278,18 +13438,11 @@ index = 969, label = "C3H3 + C6H6-6 <=> C9H9-21", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8740, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (31.4637, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8740,'cm^3/(mol*s)'), n=2.41, Ea=(31.4637,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CtH;CsJ-CtHH """, ) @@ -19298,18 +13451,11 @@ index = 970, label = "C4H5-12 + C6H6-6 <=> C10H11-28", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1970, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (29.539, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1970,'cm^3/(mol*s)'), n=2.41, Ea=(29.539,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CtH;CsJ-CtCsH """, ) @@ -19318,18 +13464,11 @@ index = 971, label = "C6H6-6 + C5H7-5 <=> C11H13-16", degeneracy = 1.0, - kinetics = Arrhenius( - A = (503, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (26.6521, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(503,'cm^3/(mol*s)'), n=2.41, Ea=(26.6521,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CtH;CsJ-CtCsCs """, ) @@ -19338,18 +13477,11 @@ index = 972, label = "C6H6-6 + C2H3 <=> C8H9-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (13200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-0.12552, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(13200,'cm^3/(mol*s)'), n=2.41, Ea=(-0.12552,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CtH;CdsJ-H """, ) @@ -19358,18 +13490,11 @@ index = 973, label = "C6H6-6 + C3H5 <=> C9H11-25", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7010, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-1.00416, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7010,'cm^3/(mol*s)'), n=2.41, Ea=(-1.00416,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CtH;CdsJ-Cs """, ) @@ -19378,18 +13503,11 @@ index = 974, label = "C6H6-6 + C6H5 <=> C12H11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (20900, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-10.0834, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(20900,'cm^3/(mol*s)'), n=2.41, Ea=(-10.0834,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CtH;CbJ """, ) @@ -19398,18 +13516,11 @@ index = 975, label = "C7H8-16 + CH3 <=> C8H11-20", degeneracy = 1.0, - kinetics = Arrhenius( - A = (19800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (15.5645, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(19800,'cm^3/(mol*s)'), n=2.41, Ea=(15.5645,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CtCs;CsJ-HHH """, ) @@ -19418,18 +13529,11 @@ index = 976, label = "C7H8-16 + C2H5 <=> C9H13-31", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2010, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (13.1796, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2010,'cm^3/(mol*s)'), n=2.41, Ea=(13.1796,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CtCs;CsJ-CsHH """, ) @@ -19438,18 +13542,11 @@ index = 977, label = "C7H8-16 + C3H7-2 <=> C10H15-31", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1610, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (8.1588, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1610,'cm^3/(mol*s)'), n=2.41, Ea=(8.1588,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CtCs;CsJ-CsCsH """, ) @@ -19458,18 +13555,11 @@ index = 978, label = "C7H8-16 + C4H9 <=> C11H17-22", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1190, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (2.25936, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1190,'cm^3/(mol*s)'), n=2.41, Ea=(2.25936,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CtCs;CsJ-CsCsCs """, ) @@ -19478,18 +13568,11 @@ index = 979, label = "C7H8-16 + allyl <=> C10H13-24", degeneracy = 2.0, - kinetics = Arrhenius( - A = (41800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (41.8818, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(41800,'cm^3/(mol*s)'), n=2.41, Ea=(41.8818,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CtCs;CsJ-CdHH """, ) @@ -19498,18 +13581,11 @@ index = 980, label = "C7H8-16 + C4H7-2 <=> C11H15-31", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3640, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (40.8777, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3640,'cm^3/(mol*s)'), n=2.41, Ea=(40.8777,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CtCs;CsJ-CdCsH """, ) @@ -19518,18 +13594,11 @@ index = 981, label = "C7H8-16 + C5H9 <=> C12H17-27", degeneracy = 1.0, - kinetics = Arrhenius( - A = (470, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (36.7774, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(470,'cm^3/(mol*s)'), n=2.41, Ea=(36.7774,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CtCs;CsJ-CdCsCs """, ) @@ -19538,18 +13607,11 @@ index = 982, label = "C7H8-16 + C5H7-3 <=> C12H15-23", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7330, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (60.8772, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7330,'cm^3/(mol*s)'), n=2.41, Ea=(60.8772,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CtCs;CsJ-CdCdH """, ) @@ -19558,18 +13620,11 @@ index = 983, label = "C7H8-16 + C6H9-12 <=> C13H17-24", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2500, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (60.1241, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2500,'cm^3/(mol*s)'), n=2.41, Ea=(60.1241,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CtCs;CsJ-CdCdCs """, ) @@ -19578,18 +13633,11 @@ index = 984, label = "C7H8-16 + C7H7-3 <=> C14H15-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9680, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (32.1331, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9680,'cm^3/(mol*s)'), n=2.41, Ea=(32.1331,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CtCs;CsJ-CbHH """, ) @@ -19598,18 +13646,11 @@ index = 985, label = "C7H8-16 + C8H9 <=> C15H17-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2380, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (29.2462, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2380,'cm^3/(mol*s)'), n=2.41, Ea=(29.2462,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CtCs;CsJ-CbCsH """, ) @@ -19618,18 +13659,11 @@ index = 986, label = "C7H8-16 + C9H11-15 <=> C16H19-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (381, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (26.9868, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(381,'cm^3/(mol*s)'), n=2.41, Ea=(26.9868,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CtCs;CsJ-CbCsCs """, ) @@ -19638,18 +13672,11 @@ index = 987, label = "C3H3 + C7H8-16 <=> C10H11-29", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8950, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (31.129, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8950,'cm^3/(mol*s)'), n=2.41, Ea=(31.129,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CtCs;CsJ-CtHH """, ) @@ -19658,18 +13685,11 @@ index = 988, label = "C7H8-16 + C4H5-12 <=> C11H13-17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2020, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (29.1625, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2020,'cm^3/(mol*s)'), n=2.41, Ea=(29.1625,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CtCs;CsJ-CtCsH """, ) @@ -19678,18 +13698,11 @@ index = 989, label = "C7H8-16 + C5H7-5 <=> C12H15-24", degeneracy = 1.0, - kinetics = Arrhenius( - A = (515, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (26.3174, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(515,'cm^3/(mol*s)'), n=2.41, Ea=(26.3174,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CtCs;CsJ-CtCsCs """, ) @@ -19698,18 +13711,11 @@ index = 990, label = "C7H8-16 + C2H3 <=> C9H11-26", degeneracy = 1.0, - kinetics = Arrhenius( - A = (13500, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-0.46024, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(13500,'cm^3/(mol*s)'), n=2.41, Ea=(-0.46024,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CtCs;CdsJ-H """, ) @@ -19718,18 +13724,11 @@ index = 991, label = "C7H8-16 + C3H5 <=> C10H13-25", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7180, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-1.33888, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7180,'cm^3/(mol*s)'), n=2.41, Ea=(-1.33888,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CtCs;CdsJ-Cs """, ) @@ -19738,18 +13737,11 @@ index = 992, label = "C7H8-16 + C6H5 <=> C13H13-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (21400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-10.46, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(21400,'cm^3/(mol*s)'), n=2.41, Ea=(-10.46,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CtCs;CbJ """, ) @@ -19758,18 +13750,11 @@ index = 993, label = "CH3 + C5H6-5 <=> C6H9-22", degeneracy = 1.0, - kinetics = Arrhenius( - A = (14300, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (31.9239, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(14300,'cm^3/(mol*s)'), n=2.41, Ea=(31.9239,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Ca;CsJ-HHH """, ) @@ -19778,18 +13763,11 @@ index = 994, label = "C5H6-5 + C2H5 <=> C7H11-31", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1450, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (29.539, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1450,'cm^3/(mol*s)'), n=2.41, Ea=(29.539,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Ca;CsJ-CsHH """, ) @@ -19798,18 +13776,11 @@ index = 995, label = "C5H6-5 + C3H7-2 <=> C8H13-36", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1160, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (24.5601, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1160,'cm^3/(mol*s)'), n=2.41, Ea=(24.5601,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Ca;CsJ-CsCsH """, ) @@ -19818,18 +13789,11 @@ index = 996, label = "C5H6-5 + C4H9 <=> C9H15-36", degeneracy = 1.0, - kinetics = Arrhenius( - A = (862, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (18.6188, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(862,'cm^3/(mol*s)'), n=2.41, Ea=(18.6188,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Ca;CsJ-CsCsCs """, ) @@ -19838,18 +13802,11 @@ index = 997, label = "C5H6-5 + allyl <=> C8H11-21", degeneracy = 2.0, - kinetics = Arrhenius( - A = (30200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (58.2413, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(30200,'cm^3/(mol*s)'), n=2.41, Ea=(58.2413,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Ca;CsJ-CdHH """, ) @@ -19858,18 +13815,11 @@ index = 998, label = "C5H6-5 + C4H7-2 <=> C9H13-32", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2630, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (57.2371, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2630,'cm^3/(mol*s)'), n=2.41, Ea=(57.2371,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Ca;CsJ-CdCsH """, ) @@ -19878,18 +13828,11 @@ index = 999, label = "C5H6-5 + C5H9 <=> C10H15-32", degeneracy = 1.0, - kinetics = Arrhenius( - A = (339, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (53.1786, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(339,'cm^3/(mol*s)'), n=2.41, Ea=(53.1786,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Ca;CsJ-CdCsCs """, ) @@ -19898,18 +13841,11 @@ index = 1000, label = "C5H6-5 + C5H7-3 <=> C10H13-26", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5290, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (77.2366, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5290,'cm^3/(mol*s)'), n=2.41, Ea=(77.2366,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Ca;CsJ-CdCdH """, ) @@ -19918,18 +13854,11 @@ index = 1001, label = "C5H6-5 + C6H9-12 <=> C11H15-32", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1810, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (76.4835, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1810,'cm^3/(mol*s)'), n=2.41, Ea=(76.4835,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Ca;CsJ-CdCdCs """, ) @@ -19938,18 +13867,11 @@ index = 1002, label = "C5H6-5 + C7H7-3 <=> C12H13-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6990, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (48.5344, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6990,'cm^3/(mol*s)'), n=2.41, Ea=(48.5344,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Ca;CsJ-CbHH """, ) @@ -19958,18 +13880,11 @@ index = 1003, label = "C5H6-5 + C8H9 <=> C13H15-20", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1720, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (45.6056, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1720,'cm^3/(mol*s)'), n=2.41, Ea=(45.6056,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Ca;CsJ-CbCsH """, ) @@ -19978,18 +13893,11 @@ index = 1004, label = "C5H6-5 + C9H11-15 <=> C14H17-22", degeneracy = 1.0, - kinetics = Arrhenius( - A = (275, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.3462, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(275,'cm^3/(mol*s)'), n=2.41, Ea=(43.3462,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Ca;CsJ-CbCsCs """, ) @@ -19998,18 +13906,11 @@ index = 1005, label = "C3H3 + C5H6-5 <=> C8H9-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6460, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (47.4884, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6460,'cm^3/(mol*s)'), n=2.41, Ea=(47.4884,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Ca;CsJ-CtHH """, ) @@ -20018,18 +13919,11 @@ index = 1006, label = "C4H5-12 + C5H6-5 <=> C9H11-27", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1460, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (45.5219, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1460,'cm^3/(mol*s)'), n=2.41, Ea=(45.5219,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Ca;CsJ-CtCsH """, ) @@ -20038,18 +13932,11 @@ index = 1007, label = "C5H7-5 + C5H6-5 <=> C10H13-27", degeneracy = 1.0, - kinetics = Arrhenius( - A = (372, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (42.6768, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(372,'cm^3/(mol*s)'), n=2.41, Ea=(42.6768,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Ca;CsJ-CtCsCs """, ) @@ -20058,18 +13945,11 @@ index = 1008, label = "C2H3 + C5H6-5 <=> C7H9-39", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9770, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (15.8992, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9770,'cm^3/(mol*s)'), n=2.41, Ea=(15.8992,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Ca;CdsJ-H """, ) @@ -20078,18 +13958,11 @@ index = 1009, label = "C5H6-5 + C3H5 <=> C8H11-22", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5180, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (15.0206, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5180,'cm^3/(mol*s)'), n=2.41, Ea=(15.0206,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Ca;CdsJ-Cs """, ) @@ -20098,18 +13971,11 @@ index = 1010, label = "C5H6-5 + C6H5 <=> C11H11-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (15400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (5.94128, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(15400,'cm^3/(mol*s)'), n=2.41, Ea=(5.94128,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Ca;CbJ """, ) @@ -20118,18 +13984,11 @@ index = 1011, label = "CH3 + C5H8-5 <=> C6H11-16", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6640, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (34.0159, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6640,'cm^3/(mol*s)'), n=2.41, Ea=(34.0159,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-HH;CsJ-HHH """, ) @@ -20138,18 +13997,11 @@ index = 1012, label = "C5H8-5 + C2H5 <=> C7H13-23", degeneracy = 1.0, - kinetics = Arrhenius( - A = (674, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (31.631, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(674,'cm^3/(mol*s)'), n=2.41, Ea=(31.631,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-HH;CsJ-CsHH """, ) @@ -20158,18 +14010,11 @@ index = 1013, label = "C5H8-5 + C3H7-2 <=> C8H15-22", degeneracy = 1.0, - kinetics = Arrhenius( - A = (541, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (26.6102, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(541,'cm^3/(mol*s)'), n=2.41, Ea=(26.6102,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-HH;CsJ-CsCsH """, ) @@ -20178,18 +14023,11 @@ index = 1014, label = "C5H8-5 + C4H9 <=> C9H17-16", degeneracy = 1.0, - kinetics = Arrhenius( - A = (400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (20.7108, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(400,'cm^3/(mol*s)'), n=2.41, Ea=(20.7108,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-HH;CsJ-CsCsCs """, ) @@ -20198,18 +14036,11 @@ index = 1015, label = "allyl + C5H8-5 <=> C8H13-37", degeneracy = 2.0, - kinetics = Arrhenius( - A = (14000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (60.3333, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(14000,'cm^3/(mol*s)'), n=2.41, Ea=(60.3333,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-HH;CsJ-CdHH """, ) @@ -20218,18 +14049,11 @@ index = 1016, label = "C5H8-5 + C4H7-2 <=> C9H15-37", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1220, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (59.3291, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1220,'cm^3/(mol*s)'), n=2.41, Ea=(59.3291,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-HH;CsJ-CdCsH """, ) @@ -20238,18 +14062,11 @@ index = 1017, label = "C5H9 + C5H8-5 <=> C10H17-26", degeneracy = 1.0, - kinetics = Arrhenius( - A = (158, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (55.2288, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(158,'cm^3/(mol*s)'), n=2.41, Ea=(55.2288,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-HH;CsJ-CdCsCs """, ) @@ -20258,18 +14075,11 @@ index = 1018, label = "C5H7-3 + C5H8-5 <=> C10H15-33", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2460, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (79.3286, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2460,'cm^3/(mol*s)'), n=2.41, Ea=(79.3286,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-HH;CsJ-CdCdH """, ) @@ -20278,18 +14088,11 @@ index = 1019, label = "C6H9-12 + C5H8-5 <=> C11H17-23", degeneracy = 1.0, - kinetics = Arrhenius( - A = (840, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (78.5755, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(840,'cm^3/(mol*s)'), n=2.41, Ea=(78.5755,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-HH;CsJ-CdCdCs """, ) @@ -20298,18 +14101,11 @@ index = 1020, label = "C5H8-5 + C7H7-3 <=> C12H15-25", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3250, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (50.5846, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3250,'cm^3/(mol*s)'), n=2.41, Ea=(50.5846,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-HH;CsJ-CbHH """, ) @@ -20318,18 +14114,11 @@ index = 1021, label = "C5H8-5 + C8H9 <=> C13H17-25", degeneracy = 1.0, - kinetics = Arrhenius( - A = (799, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (47.6558, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(799,'cm^3/(mol*s)'), n=2.41, Ea=(47.6558,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-HH;CsJ-CbCsH """, ) @@ -20338,18 +14127,11 @@ index = 1022, label = "C5H8-5 + C9H11-15 <=> C14H19-18", degeneracy = 1.0, - kinetics = Arrhenius( - A = (128, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (45.4382, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(128,'cm^3/(mol*s)'), n=2.41, Ea=(45.4382,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-HH;CsJ-CbCsCs """, ) @@ -20358,18 +14140,11 @@ index = 1023, label = "C3H3 + C5H8-5 <=> C8H11-23", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (49.5386, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3000,'cm^3/(mol*s)'), n=2.41, Ea=(49.5386,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-HH;CsJ-CtHH """, ) @@ -20378,18 +14153,11 @@ index = 1024, label = "C4H5-12 + C5H8-5 <=> C9H13-33", degeneracy = 1.0, - kinetics = Arrhenius( - A = (677, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (47.6139, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(677,'cm^3/(mol*s)'), n=2.41, Ea=(47.6139,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-HH;CsJ-CtCsH """, ) @@ -20398,18 +14166,11 @@ index = 1025, label = "C5H7-5 + C5H8-5 <=> C10H15-34", degeneracy = 1.0, - kinetics = Arrhenius( - A = (173, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (44.7688, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(173,'cm^3/(mol*s)'), n=2.41, Ea=(44.7688,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-HH;CsJ-CtCsCs """, ) @@ -20418,18 +14179,11 @@ index = 1026, label = "C2H3 + C5H8-5 <=> C7H11-32", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4540, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (17.9912, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4540,'cm^3/(mol*s)'), n=2.41, Ea=(17.9912,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-HH;CdsJ-H """, ) @@ -20438,18 +14192,11 @@ index = 1027, label = "C3H5 + C5H8-5 <=> C8H13-38", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2410, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (17.0707, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2410,'cm^3/(mol*s)'), n=2.41, Ea=(17.0707,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-HH;CdsJ-Cs """, ) @@ -20458,18 +14205,11 @@ index = 1028, label = "C5H8-5 + C6H5 <=> C11H13-18", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7170, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (7.99144, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7170,'cm^3/(mol*s)'), n=2.41, Ea=(7.99144,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-HH;CbJ """, ) @@ -20478,18 +14218,11 @@ index = 1029, label = "CH3 + C6H10-4 <=> C7H13-24", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6660, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (32.677, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6660,'cm^3/(mol*s)'), n=2.41, Ea=(32.677,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CsH;CsJ-HHH """, ) @@ -20498,18 +14231,11 @@ index = 1030, label = "C6H10-4 + C2H5 <=> C8H15-23", degeneracy = 1.0, - kinetics = Arrhenius( - A = (677, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (30.2922, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(677,'cm^3/(mol*s)'), n=2.41, Ea=(30.2922,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CsH;CsJ-CsHH """, ) @@ -20518,18 +14244,11 @@ index = 1031, label = "C6H10-4 + C3H7-2 <=> C9H17-17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (543, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (25.3132, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(543,'cm^3/(mol*s)'), n=2.41, Ea=(25.3132,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CsH;CsJ-CsCsH """, ) @@ -20538,18 +14257,11 @@ index = 1032, label = "C6H10-4 + C4H9 <=> C10H19-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (402, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (19.3719, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(402,'cm^3/(mol*s)'), n=2.41, Ea=(19.3719,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CsH;CsJ-CsCsCs """, ) @@ -20558,18 +14270,11 @@ index = 1033, label = "C6H10-4 + allyl <=> C9H15-38", degeneracy = 2.0, - kinetics = Arrhenius( - A = (14060, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (58.9944, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(14060,'cm^3/(mol*s)'), n=2.41, Ea=(58.9944,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CsH;CsJ-CdHH """, ) @@ -20578,18 +14283,11 @@ index = 1034, label = "C6H10-4 + C4H7-2 <=> C10H17-27", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1220, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (57.9902, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1220,'cm^3/(mol*s)'), n=2.41, Ea=(57.9902,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CsH;CsJ-CdCsH """, ) @@ -20598,18 +14296,11 @@ index = 1035, label = "C5H9 + C6H10-4 <=> C11H19-13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (158, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (53.9318, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(158,'cm^3/(mol*s)'), n=2.41, Ea=(53.9318,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CsH;CsJ-CdCsCs """, ) @@ -20618,18 +14309,11 @@ index = 1036, label = "C5H7-3 + C6H10-4 <=> C11H17-24", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2470, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (78.0316, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2470,'cm^3/(mol*s)'), n=2.41, Ea=(78.0316,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CsH;CsJ-CdCdH """, ) @@ -20638,18 +14322,11 @@ index = 1037, label = "C6H9-12 + C6H10-4 <=> C12H19-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (843, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (77.2785, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(843,'cm^3/(mol*s)'), n=2.41, Ea=(77.2785,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CsH;CsJ-CdCdCs """, ) @@ -20658,18 +14335,11 @@ index = 1038, label = "C6H10-4 + C7H7-3 <=> C13H17-26", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3260, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (49.2875, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3260,'cm^3/(mol*s)'), n=2.41, Ea=(49.2875,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CsH;CsJ-CbHH """, ) @@ -20678,18 +14348,11 @@ index = 1039, label = "C6H10-4 + C8H9 <=> C14H19-19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (802, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (46.3587, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(802,'cm^3/(mol*s)'), n=2.41, Ea=(46.3587,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CsH;CsJ-CbCsH """, ) @@ -20698,18 +14361,11 @@ index = 1040, label = "C6H10-4 + C9H11-15 <=> C15H21-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (128, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (44.0994, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(128,'cm^3/(mol*s)'), n=2.41, Ea=(44.0994,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CsH;CsJ-CbCsCs """, ) @@ -20718,18 +14374,11 @@ index = 1041, label = "C3H3 + C6H10-4 <=> C9H13-34", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3010, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (48.2415, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3010,'cm^3/(mol*s)'), n=2.41, Ea=(48.2415,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CsH;CsJ-CtHH """, ) @@ -20738,18 +14387,11 @@ index = 1042, label = "C4H5-12 + C6H10-4 <=> C10H15-35", degeneracy = 1.0, - kinetics = Arrhenius( - A = (680, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (46.3169, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(680,'cm^3/(mol*s)'), n=2.41, Ea=(46.3169,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CsH;CsJ-CtCsH """, ) @@ -20758,18 +14400,11 @@ index = 1043, label = "C5H7-5 + C6H10-4 <=> C11H17-25", degeneracy = 1.0, - kinetics = Arrhenius( - A = (173, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.4718, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(173,'cm^3/(mol*s)'), n=2.41, Ea=(43.4718,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CsH;CsJ-CtCsCs """, ) @@ -20778,18 +14413,11 @@ index = 1044, label = "C2H3 + C6H10-4 <=> C8H13-39", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4560, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (16.6523, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4560,'cm^3/(mol*s)'), n=2.41, Ea=(16.6523,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CsH;CdsJ-H """, ) @@ -20798,18 +14426,11 @@ index = 1045, label = "C3H5 + C6H10-4 <=> C9H15-39", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2420, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (15.7737, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2420,'cm^3/(mol*s)'), n=2.41, Ea=(15.7737,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CsH;CdsJ-Cs """, ) @@ -20818,18 +14439,11 @@ index = 1046, label = "C6H10-4 + C6H5 <=> C12H15-26", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (6.6944, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7200,'cm^3/(mol*s)'), n=2.41, Ea=(6.6944,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CsH;CbJ """, ) @@ -20838,18 +14452,11 @@ index = 1047, label = "CH3 + C7H12-2 <=> C8H15-24", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8380, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (31.0871, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8380,'cm^3/(mol*s)'), n=2.41, Ea=(31.0871,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CsCs;CsJ-HHH """, ) @@ -20858,18 +14465,11 @@ index = 1048, label = "C7H12-2 + C2H5 <=> C9H17-18", degeneracy = 1.0, - kinetics = Arrhenius( - A = (851, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (28.7022, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(851,'cm^3/(mol*s)'), n=2.41, Ea=(28.7022,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CsCs;CsJ-CsHH """, ) @@ -20878,18 +14478,11 @@ index = 1049, label = "C7H12-2 + C3H7-2 <=> C10H19-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (683, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (23.6814, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(683,'cm^3/(mol*s)'), n=2.41, Ea=(23.6814,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CsCs;CsJ-CsCsH """, ) @@ -20898,18 +14491,11 @@ index = 1050, label = "C7H12-2 + C4H9 <=> C11H21-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (506, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (17.782, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(506,'cm^3/(mol*s)'), n=2.41, Ea=(17.782,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CsCs;CsJ-CsCsCs """, ) @@ -20918,18 +14504,11 @@ index = 1051, label = "allyl + C7H12-2 <=> C10H17-28", degeneracy = 2.0, - kinetics = Arrhenius( - A = (17700, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (57.4045, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(17700,'cm^3/(mol*s)'), n=2.41, Ea=(57.4045,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CsCs;CsJ-CdHH """, ) @@ -20938,18 +14517,11 @@ index = 1052, label = "C7H12-2 + C4H7-2 <=> C11H19-14", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1540, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (56.4003, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1540,'cm^3/(mol*s)'), n=2.41, Ea=(56.4003,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CsCs;CsJ-CdCsH """, ) @@ -20958,18 +14530,11 @@ index = 1053, label = "C7H12-2 + C5H9 <=> C12H21-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (199, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (52.3418, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(199,'cm^3/(mol*s)'), n=2.41, Ea=(52.3418,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CsCs;CsJ-CdCsCs """, ) @@ -20978,18 +14543,11 @@ index = 1054, label = "C7H12-2 + C5H7-3 <=> C12H19-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3110, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (76.3998, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3110,'cm^3/(mol*s)'), n=2.41, Ea=(76.3998,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CsCs;CsJ-CdCdH """, ) @@ -20998,18 +14556,11 @@ index = 1055, label = "C6H9-12 + C7H12-2 <=> C13H21-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1060, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (75.6467, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1060,'cm^3/(mol*s)'), n=2.41, Ea=(75.6467,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CsCs;CsJ-CdCdCs """, ) @@ -21018,18 +14569,11 @@ index = 1056, label = "C7H12-2 + C7H7-3 <=> C14H19-20", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4100, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (47.6558, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4100,'cm^3/(mol*s)'), n=2.41, Ea=(47.6558,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CsCs;CsJ-CbHH """, ) @@ -21038,18 +14582,11 @@ index = 1057, label = "C7H12-2 + C8H9 <=> C15H21-10", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1010, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (44.7688, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1010,'cm^3/(mol*s)'), n=2.41, Ea=(44.7688,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CsCs;CsJ-CbCsH """, ) @@ -21058,18 +14595,11 @@ index = 1058, label = "C7H12-2 + C9H11-15 <=> C16H23-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (161, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (42.5094, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(161,'cm^3/(mol*s)'), n=2.41, Ea=(42.5094,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CsCs;CsJ-CbCsCs """, ) @@ -21078,18 +14608,11 @@ index = 1059, label = "C3H3 + C7H12-2 <=> C10H15-36", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3790, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (46.6516, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3790,'cm^3/(mol*s)'), n=2.41, Ea=(46.6516,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CsCs;CsJ-CtHH """, ) @@ -21098,18 +14621,11 @@ index = 1060, label = "C4H5-12 + C7H12-2 <=> C11H17-26", degeneracy = 1.0, - kinetics = Arrhenius( - A = (855, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (44.6851, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(855,'cm^3/(mol*s)'), n=2.41, Ea=(44.6851,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CsCs;CsJ-CtCsH """, ) @@ -21118,18 +14634,11 @@ index = 1061, label = "C5H7-5 + C7H12-2 <=> C12H19-13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (218, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (41.84, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(218,'cm^3/(mol*s)'), n=2.41, Ea=(41.84,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CsCs;CsJ-CtCsCs """, ) @@ -21138,18 +14647,11 @@ index = 1062, label = "C2H3 + C7H12-2 <=> C9H15-40", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5730, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (15.0624, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5730,'cm^3/(mol*s)'), n=2.41, Ea=(15.0624,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CsCs;CdsJ-H """, ) @@ -21158,18 +14660,11 @@ index = 1063, label = "C3H5 + C7H12-2 <=> C10H17-29", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3040, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (14.1838, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3040,'cm^3/(mol*s)'), n=2.41, Ea=(14.1838,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CsCs;CdsJ-Cs """, ) @@ -21178,18 +14673,11 @@ index = 1064, label = "C7H12-2 + C6H5 <=> C13H17-27", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9060, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (5.06264, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9060,'cm^3/(mol*s)'), n=2.41, Ea=(5.06264,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CsCs;CbJ """, ) @@ -21198,18 +14686,11 @@ index = 1065, label = "CH3 + C7H10-6 <=> C8H13-40", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7480, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (21.0037, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7480,'cm^3/(mol*s)'), n=2.41, Ea=(21.0037,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdH;CsJ-HHH """, ) @@ -21218,18 +14699,11 @@ index = 1066, label = "C7H10-6 + C2H5 <=> C9H15-41", degeneracy = 1.0, - kinetics = Arrhenius( - A = (760, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (18.6188, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(760,'cm^3/(mol*s)'), n=2.41, Ea=(18.6188,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdH;CsJ-CsHH """, ) @@ -21238,18 +14712,11 @@ index = 1067, label = "C7H10-6 + C3H7-2 <=> C10H17-30", degeneracy = 1.0, - kinetics = Arrhenius( - A = (610, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (13.6398, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(610,'cm^3/(mol*s)'), n=2.41, Ea=(13.6398,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdH;CsJ-CsCsH """, ) @@ -21258,18 +14725,11 @@ index = 1068, label = "C7H10-6 + C4H9 <=> C11H19-15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (451, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (7.69856, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(451,'cm^3/(mol*s)'), n=2.41, Ea=(7.69856,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdH;CsJ-CsCsCs """, ) @@ -21278,18 +14738,11 @@ index = 1069, label = "allyl + C7H10-6 <=> C10H15-37", degeneracy = 2.0, - kinetics = Arrhenius( - A = (15800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (47.321, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(15800,'cm^3/(mol*s)'), n=2.41, Ea=(47.321,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdH;CsJ-CdHH """, ) @@ -21298,18 +14751,11 @@ index = 1070, label = "C4H7-2 + C7H10-6 <=> C11H17-27", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1380, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (46.3169, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1380,'cm^3/(mol*s)'), n=2.41, Ea=(46.3169,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdH;CsJ-CdCsH """, ) @@ -21318,18 +14764,11 @@ index = 1071, label = "C5H9 + C7H10-6 <=> C12H19-14", degeneracy = 1.0, - kinetics = Arrhenius( - A = (178, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (42.2584, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(178,'cm^3/(mol*s)'), n=2.41, Ea=(42.2584,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdH;CsJ-CdCsCs """, ) @@ -21338,18 +14777,11 @@ index = 1072, label = "C7H10-6 + C5H7-3 <=> C12H17-28", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2770, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (66.3164, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2770,'cm^3/(mol*s)'), n=2.41, Ea=(66.3164,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdH;CsJ-CdCdH """, ) @@ -21358,18 +14790,11 @@ index = 1073, label = "C6H9-12 + C7H10-6 <=> C13H19-18", degeneracy = 1.0, - kinetics = Arrhenius( - A = (947, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (65.5633, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(947,'cm^3/(mol*s)'), n=2.41, Ea=(65.5633,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdH;CsJ-CdCdCs """, ) @@ -21378,18 +14803,11 @@ index = 1074, label = "C7H10-6 + C7H7-3 <=> C14H17-23", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3660, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (37.5723, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3660,'cm^3/(mol*s)'), n=2.41, Ea=(37.5723,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdH;CsJ-CbHH """, ) @@ -21398,18 +14816,11 @@ index = 1075, label = "C7H10-6 + C8H9 <=> C15H19-18", degeneracy = 1.0, - kinetics = Arrhenius( - A = (900, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (34.6854, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(900,'cm^3/(mol*s)'), n=2.41, Ea=(34.6854,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdH;CsJ-CbCsH """, ) @@ -21418,18 +14829,11 @@ index = 1076, label = "C7H10-6 + C9H11-15 <=> C16H21-10", degeneracy = 1.0, - kinetics = Arrhenius( - A = (144, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (32.426, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(144,'cm^3/(mol*s)'), n=2.41, Ea=(32.426,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdH;CsJ-CbCsCs """, ) @@ -21438,18 +14842,11 @@ index = 1077, label = "C3H3 + C7H10-6 <=> C10H13-28", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3380, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (36.5682, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3380,'cm^3/(mol*s)'), n=2.41, Ea=(36.5682,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdH;CsJ-CtHH """, ) @@ -21458,18 +14855,11 @@ index = 1078, label = "C4H5-12 + C7H10-6 <=> C11H15-33", degeneracy = 1.0, - kinetics = Arrhenius( - A = (763, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (34.6017, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(763,'cm^3/(mol*s)'), n=2.41, Ea=(34.6017,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdH;CsJ-CtCsH """, ) @@ -21478,18 +14868,11 @@ index = 1079, label = "C5H7-5 + C7H10-6 <=> C12H17-29", degeneracy = 1.0, - kinetics = Arrhenius( - A = (195, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (31.7566, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(195,'cm^3/(mol*s)'), n=2.41, Ea=(31.7566,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdH;CsJ-CtCsCs """, ) @@ -21498,18 +14881,11 @@ index = 1080, label = "C2H3 + C7H10-6 <=> C9H13-35", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5120, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (4.97896, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5120,'cm^3/(mol*s)'), n=2.41, Ea=(4.97896,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdH;CdsJ-H """, ) @@ -21518,18 +14894,11 @@ index = 1081, label = "C3H5 + C7H10-6 <=> C10H15-38", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2710, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (4.10032, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2710,'cm^3/(mol*s)'), n=2.41, Ea=(4.10032,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdH;CdsJ-Cs """, ) @@ -21538,18 +14907,11 @@ index = 1082, label = "C7H10-6 + C6H5 <=> C13H15-21", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8090, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-4.97896, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8090,'cm^3/(mol*s)'), n=2.41, Ea=(-4.97896,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdH;CbJ """, ) @@ -21558,18 +14920,11 @@ index = 1083, label = "CH3 + C8H12-2 <=> C9H15-42", degeneracy = 2.0, - kinetics = Arrhenius( - A = (16980, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (19.2464, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(16980,'cm^3/(mol*s)'), n=2.41, Ea=(19.2464,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdCs;CsJ-HHH """, ) @@ -21578,18 +14933,11 @@ index = 1084, label = "C8H12-2 + C2H5 <=> C10H17-31", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1724, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (16.8615, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1724,'cm^3/(mol*s)'), n=2.41, Ea=(16.8615,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdCs;CsJ-CsHH """, ) @@ -21598,18 +14946,11 @@ index = 1085, label = "C8H12-2 + C3H7-2 <=> C11H19-16", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1384, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (11.8826, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1384,'cm^3/(mol*s)'), n=2.41, Ea=(11.8826,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdCs;CsJ-CsCsH """, ) @@ -21618,18 +14959,11 @@ index = 1086, label = "C8H12-2 + C4H9 <=> C12H21-5", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1024, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (5.94128, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1024,'cm^3/(mol*s)'), n=2.41, Ea=(5.94128,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdCs;CsJ-CsCsCs """, ) @@ -21638,18 +14972,11 @@ index = 1087, label = "allyl + C8H12-2 <=> C11H17-28", degeneracy = 4.0, - kinetics = Arrhenius( - A = (35840, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (45.5638, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(35840,'cm^3/(mol*s)'), n=2.41, Ea=(45.5638,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdCs;CsJ-CdHH """, ) @@ -21658,18 +14985,11 @@ index = 1088, label = "C8H12-2 + C4H7-2 <=> C12H19-15", degeneracy = 2.0, - kinetics = Arrhenius( - A = (3120, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (44.5596, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3120,'cm^3/(mol*s)'), n=2.41, Ea=(44.5596,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdCs;CsJ-CdCsH """, ) @@ -21678,18 +14998,11 @@ index = 1089, label = "C8H12-2 + C5H9 <=> C13H21-4", degeneracy = 2.0, - kinetics = Arrhenius( - A = (404, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (40.5011, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(404,'cm^3/(mol*s)'), n=2.41, Ea=(40.5011,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdCs;CsJ-CdCsCs """, ) @@ -21698,18 +15011,11 @@ index = 1090, label = "C5H7-3 + C8H12-2 <=> C13H19-19", degeneracy = 2.0, - kinetics = Arrhenius( - A = (6300, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (64.601, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6300,'cm^3/(mol*s)'), n=2.41, Ea=(64.601,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdCs;CsJ-CdCdH """, ) @@ -21718,18 +15024,11 @@ index = 1091, label = "C6H9-12 + C8H12-2 <=> C14H21-8", degeneracy = 2.0, - kinetics = Arrhenius( - A = (2140, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (63.806, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2140,'cm^3/(mol*s)'), n=2.41, Ea=(63.806,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdCs;CsJ-CdCdCs """, ) @@ -21738,18 +15037,11 @@ index = 1092, label = "C8H12-2 + C7H7-3 <=> C15H19-19", degeneracy = 2.0, - kinetics = Arrhenius( - A = (8320, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (35.8569, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8320,'cm^3/(mol*s)'), n=2.41, Ea=(35.8569,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdCs;CsJ-CbHH """, ) @@ -21758,18 +15050,11 @@ index = 1093, label = "C8H12-2 + C8H9 <=> C16H21-11", degeneracy = 2.0, - kinetics = Arrhenius( - A = (2040, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (32.9281, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2040,'cm^3/(mol*s)'), n=2.41, Ea=(32.9281,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdCs;CsJ-CbCsH """, ) @@ -21778,18 +15063,11 @@ index = 1094, label = "C8H12-2 + C9H11-15 <=> C17H23-3", degeneracy = 2.0, - kinetics = Arrhenius( - A = (328, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (30.6687, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(328,'cm^3/(mol*s)'), n=2.41, Ea=(30.6687,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdCs;CsJ-CbCsCs """, ) @@ -21798,18 +15076,11 @@ index = 1095, label = "C3H3 + C8H12-2 <=> C11H15-34", degeneracy = 2.0, - kinetics = Arrhenius( - A = (7680, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (34.8109, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7680,'cm^3/(mol*s)'), n=2.41, Ea=(34.8109,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdCs;CsJ-CtHH """, ) @@ -21818,18 +15089,11 @@ index = 1096, label = "C4H5-12 + C8H12-2 <=> C12H17-30", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1732, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (32.8444, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1732,'cm^3/(mol*s)'), n=2.41, Ea=(32.8444,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdCs;CsJ-CtCsH """, ) @@ -21838,18 +15102,11 @@ index = 1097, label = "C5H7-5 + C8H12-2 <=> C13H19-20", degeneracy = 2.0, - kinetics = Arrhenius( - A = (442, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (29.9993, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(442,'cm^3/(mol*s)'), n=2.41, Ea=(29.9993,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdCs;CsJ-CtCsCs """, ) @@ -21858,18 +15115,11 @@ index = 1098, label = "C2H3 + C8H12-2 <=> C10H15-39", degeneracy = 2.0, - kinetics = Arrhenius( - A = (11620, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (3.22168, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(11620,'cm^3/(mol*s)'), n=2.41, Ea=(3.22168,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdCs;CdsJ-H """, ) @@ -21878,18 +15128,11 @@ index = 1099, label = "C3H5 + C8H12-2 <=> C11H17-29", degeneracy = 2.0, - kinetics = Arrhenius( - A = (6160, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (2.34304, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6160,'cm^3/(mol*s)'), n=2.41, Ea=(2.34304,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdCs;CdsJ-Cs """, ) @@ -21898,18 +15141,11 @@ index = 1100, label = "C8H12-2 + C6H5 <=> C14H17-24", degeneracy = 2.0, - kinetics = Arrhenius( - A = (18360, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-6.73624, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(18360,'cm^3/(mol*s)'), n=2.41, Ea=(-6.73624,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdCs;CbJ """, ) @@ -21918,18 +15154,11 @@ index = 1101, label = "CH3 + C9H12 <=> C10H15-40", degeneracy = 1.0, - kinetics = Arrhenius( - A = (25900, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (15.4808, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(25900,'cm^3/(mol*s)'), n=2.41, Ea=(15.4808,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdCd;CsJ-HHH """, ) @@ -21938,18 +15167,11 @@ index = 1102, label = "C9H12 + C2H5 <=> C11H17-30", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2630, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (13.0959, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2630,'cm^3/(mol*s)'), n=2.41, Ea=(13.0959,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdCd;CsJ-CsHH """, ) @@ -21958,18 +15180,11 @@ index = 1103, label = "C9H12 + C3H7-2 <=> C12H19-16", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2110, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (8.11696, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2110,'cm^3/(mol*s)'), n=2.41, Ea=(8.11696,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdCd;CsJ-CsCsH """, ) @@ -21978,18 +15193,11 @@ index = 1104, label = "C9H12 + C4H9 <=> C13H21-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1560, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (2.17568, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1560,'cm^3/(mol*s)'), n=2.41, Ea=(2.17568,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdCd;CsJ-CsCsCs """, ) @@ -21998,18 +15206,11 @@ index = 1105, label = "C9H12 + allyl <=> C12H17-31", degeneracy = 2.0, - kinetics = Arrhenius( - A = (54600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (41.7982, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(54600,'cm^3/(mol*s)'), n=2.41, Ea=(41.7982,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdCd;CsJ-CdHH """, ) @@ -22018,18 +15219,11 @@ index = 1106, label = "C9H12 + C4H7-2 <=> C13H19-21", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4760, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (40.794, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4760,'cm^3/(mol*s)'), n=2.41, Ea=(40.794,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdCd;CsJ-CdCsH """, ) @@ -22038,18 +15232,11 @@ index = 1107, label = "C9H12 + C5H9 <=> C14H21-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (615, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (36.7355, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(615,'cm^3/(mol*s)'), n=2.41, Ea=(36.7355,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdCd;CsJ-CdCsCs """, ) @@ -22058,18 +15245,11 @@ index = 1108, label = "C9H12 + C5H7-3 <=> C14H19-21", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9590, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (60.7935, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9590,'cm^3/(mol*s)'), n=2.41, Ea=(60.7935,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdCd;CsJ-CdCdH """, ) @@ -22078,18 +15258,11 @@ index = 1109, label = "C9H12 + C6H9-12 <=> C15H21-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3270, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (60.0404, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3270,'cm^3/(mol*s)'), n=2.41, Ea=(60.0404,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdCd;CsJ-CdCdCs """, ) @@ -22098,18 +15271,11 @@ index = 1110, label = "C9H12 + C7H7-3 <=> C16H19-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (12700, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (32.0494, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(12700,'cm^3/(mol*s)'), n=2.41, Ea=(32.0494,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdCd;CsJ-CbHH """, ) @@ -22118,18 +15284,11 @@ index = 1111, label = "C9H12 + C8H9 <=> C17H21-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3110, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (29.1625, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3110,'cm^3/(mol*s)'), n=2.41, Ea=(29.1625,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdCd;CsJ-CbCsH """, ) @@ -22138,18 +15297,11 @@ index = 1112, label = "C9H12 + C9H11-15 <=> C18H23", degeneracy = 1.0, - kinetics = Arrhenius( - A = (498, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (26.9031, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(498,'cm^3/(mol*s)'), n=2.41, Ea=(26.9031,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdCd;CsJ-CbCsCs """, ) @@ -22158,18 +15310,11 @@ index = 1113, label = "C3H3 + C9H12 <=> C12H15-27", degeneracy = 1.0, - kinetics = Arrhenius( - A = (11700, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (31.0453, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(11700,'cm^3/(mol*s)'), n=2.41, Ea=(31.0453,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdCd;CsJ-CtHH """, ) @@ -22178,18 +15323,11 @@ index = 1114, label = "C4H5-12 + C9H12 <=> C13H17-28", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2640, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (29.0788, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2640,'cm^3/(mol*s)'), n=2.41, Ea=(29.0788,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdCd;CsJ-CtCsH """, ) @@ -22198,18 +15336,11 @@ index = 1115, label = "C5H7-5 + C9H12 <=> C14H19-22", degeneracy = 1.0, - kinetics = Arrhenius( - A = (673, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (26.2337, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(673,'cm^3/(mol*s)'), n=2.41, Ea=(26.2337,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdCd;CsJ-CtCsCs """, ) @@ -22218,18 +15349,11 @@ index = 1116, label = "C2H3 + C9H12 <=> C11H15-35", degeneracy = 1.0, - kinetics = Arrhenius( - A = (17700, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-0.54392, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(17700,'cm^3/(mol*s)'), n=2.41, Ea=(-0.54392,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdCd;CdsJ-H """, ) @@ -22238,18 +15362,11 @@ index = 1117, label = "C3H5 + C9H12 <=> C12H17-32", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9390, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-1.42256, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9390,'cm^3/(mol*s)'), n=2.41, Ea=(-1.42256,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdCd;CdsJ-Cs """, ) @@ -22258,18 +15375,11 @@ index = 1118, label = "C9H12 + C6H5 <=> C15H17-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (28000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-10.5437, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(28000,'cm^3/(mol*s)'), n=2.41, Ea=(-10.5437,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdCd;CbJ """, ) @@ -22278,18 +15388,11 @@ index = 1119, label = "CH3 + C11H12-2 <=> C12H15-28", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2440, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (28.3257, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2440,'cm^3/(mol*s)'), n=2.41, Ea=(28.3257,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CbH;CsJ-HHH """, ) @@ -22298,18 +15401,11 @@ index = 1120, label = "C11H12-2 + C2H5 <=> C13H17-29", degeneracy = 1.0, - kinetics = Arrhenius( - A = (248, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (25.9408, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(248,'cm^3/(mol*s)'), n=2.41, Ea=(25.9408,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CbH;CsJ-CsHH """, ) @@ -22318,18 +15414,11 @@ index = 1121, label = "C11H12-2 + C3H7-2 <=> C14H19-23", degeneracy = 1.0, - kinetics = Arrhenius( - A = (199, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (20.9618, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(199,'cm^3/(mol*s)'), n=2.41, Ea=(20.9618,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CbH;CsJ-CsCsH """, ) @@ -22338,18 +15427,11 @@ index = 1122, label = "C11H12-2 + C4H9 <=> C15H21-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (147, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (15.0206, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(147,'cm^3/(mol*s)'), n=2.41, Ea=(15.0206,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CbH;CsJ-CsCsCs """, ) @@ -22358,18 +15440,11 @@ index = 1123, label = "C11H12-2 + allyl <=> C14H17-25", degeneracy = 2.0, - kinetics = Arrhenius( - A = (5160, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (54.643, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5160,'cm^3/(mol*s)'), n=2.41, Ea=(54.643,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CbH;CsJ-CdHH """, ) @@ -22378,18 +15453,11 @@ index = 1124, label = "C11H12-2 + C4H7-2 <=> C15H19-20", degeneracy = 1.0, - kinetics = Arrhenius( - A = (449, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (53.6389, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(449,'cm^3/(mol*s)'), n=2.41, Ea=(53.6389,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CbH;CsJ-CdCsH """, ) @@ -22398,18 +15466,11 @@ index = 1125, label = "C11H12-2 + C5H9 <=> C16H21-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (58.1, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (49.5804, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(58.1,'cm^3/(mol*s)'), n=2.41, Ea=(49.5804,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CbH;CsJ-CdCsCs """, ) @@ -22418,18 +15479,11 @@ index = 1126, label = "C5H7-3 + C11H12-2 <=> C16H19-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (905, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (73.6802, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(905,'cm^3/(mol*s)'), n=2.41, Ea=(73.6802,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CbH;CsJ-CdCdH """, ) @@ -22438,18 +15492,11 @@ index = 1127, label = "C6H9-12 + C11H12-2 <=> C17H21-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (309, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (72.9271, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(309,'cm^3/(mol*s)'), n=2.41, Ea=(72.9271,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CbH;CsJ-CdCdCs """, ) @@ -22458,18 +15505,11 @@ index = 1128, label = "C11H12-2 + C7H7-3 <=> C18H19-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (44.9362, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1200,'cm^3/(mol*s)'), n=2.41, Ea=(44.9362,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CbH;CsJ-CbHH """, ) @@ -22478,18 +15518,11 @@ index = 1129, label = "C11H12-2 + C8H9 <=> C19H21-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (294, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (42.0074, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(294,'cm^3/(mol*s)'), n=2.41, Ea=(42.0074,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CbH;CsJ-CbCsH """, ) @@ -22498,18 +15531,11 @@ index = 1130, label = "C11H12-2 + C9H11-15 <=> C20H23-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (47, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (39.748, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(47,'cm^3/(mol*s)'), n=2.41, Ea=(39.748,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CbH;CsJ-CbCsCs """, ) @@ -22518,18 +15544,11 @@ index = 1131, label = "C3H3 + C11H12-2 <=> C14H15-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1100, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.8902, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1100,'cm^3/(mol*s)'), n=2.41, Ea=(43.8902,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CbH;CsJ-CtHH """, ) @@ -22538,18 +15557,11 @@ index = 1132, label = "C4H5-12 + C11H12-2 <=> C15H17-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (249, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (41.9655, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(249,'cm^3/(mol*s)'), n=2.41, Ea=(41.9655,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CbH;CsJ-CtCsH """, ) @@ -22558,18 +15570,11 @@ index = 1133, label = "C5H7-5 + C11H12-2 <=> C16H19-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (63.5, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (39.0786, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(63.5,'cm^3/(mol*s)'), n=2.41, Ea=(39.0786,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CbH;CsJ-CtCsCs """, ) @@ -22578,18 +15583,11 @@ index = 1134, label = "C2H3 + C11H12-2 <=> C13H15-22", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1670, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (12.301, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1670,'cm^3/(mol*s)'), n=2.41, Ea=(12.301,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CbH;CdsJ-H """, ) @@ -22598,18 +15596,11 @@ index = 1135, label = "C3H5 + C11H12-2 <=> C14H17-26", degeneracy = 1.0, - kinetics = Arrhenius( - A = (886, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (11.4223, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(886,'cm^3/(mol*s)'), n=2.41, Ea=(11.4223,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CbH;CdsJ-Cs """, ) @@ -22618,18 +15609,11 @@ index = 1136, label = "C11H12-2 + C6H5 <=> C17H17-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2640, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (2.34304, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2640,'cm^3/(mol*s)'), n=2.41, Ea=(2.34304,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CbH;CbJ """, ) @@ -22638,18 +15622,11 @@ index = 1137, label = "CH3 + C12H14 <=> C13H17-30", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5180, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (27.6562, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5180,'cm^3/(mol*s)'), n=2.41, Ea=(27.6562,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CbCs;CsJ-HHH """, ) @@ -22658,18 +15635,11 @@ index = 1138, label = "C12H14 + C2H5 <=> C14H19-24", degeneracy = 1.0, - kinetics = Arrhenius( - A = (526, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (25.2714, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(526,'cm^3/(mol*s)'), n=2.41, Ea=(25.2714,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CbCs;CsJ-CsHH """, ) @@ -22678,18 +15648,11 @@ index = 1139, label = "C12H14 + C3H7-2 <=> C15H21-13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (422, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (20.2924, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(422,'cm^3/(mol*s)'), n=2.41, Ea=(20.2924,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CbCs;CsJ-CsCsH """, ) @@ -22698,18 +15661,11 @@ index = 1140, label = "C12H14 + C4H9 <=> C16H23-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (313, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (14.3511, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(313,'cm^3/(mol*s)'), n=2.41, Ea=(14.3511,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CbCs;CsJ-CsCsCs """, ) @@ -22718,18 +15674,11 @@ index = 1141, label = "C12H14 + allyl <=> C15H19-21", degeneracy = 2.0, - kinetics = Arrhenius( - A = (10940, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (53.9736, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(10940,'cm^3/(mol*s)'), n=2.41, Ea=(53.9736,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CbCs;CsJ-CdHH """, ) @@ -22738,18 +15687,11 @@ index = 1142, label = "C12H14 + C4H7-2 <=> C16H21-13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (952, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (52.9694, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(952,'cm^3/(mol*s)'), n=2.41, Ea=(52.9694,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CbCs;CsJ-CdCsH """, ) @@ -22758,18 +15700,11 @@ index = 1143, label = "C12H14 + C5H9 <=> C17H23-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (123, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (48.911, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(123,'cm^3/(mol*s)'), n=2.41, Ea=(48.911,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CbCs;CsJ-CdCsCs """, ) @@ -22778,18 +15713,11 @@ index = 1144, label = "C12H14 + C5H7-3 <=> C17H21-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1920, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (73.0108, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1920,'cm^3/(mol*s)'), n=2.41, Ea=(73.0108,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CbCs;CsJ-CdCdH """, ) @@ -22798,18 +15726,11 @@ index = 1145, label = "C6H9-12 + C12H14 <=> C18H23-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (655, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (72.2577, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(655,'cm^3/(mol*s)'), n=2.41, Ea=(72.2577,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CbCs;CsJ-CdCdCs """, ) @@ -22818,18 +15739,11 @@ index = 1146, label = "C12H14 + C7H7-3 <=> C19H21-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2530, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (44.2667, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2530,'cm^3/(mol*s)'), n=2.41, Ea=(44.2667,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CbCs;CsJ-CbHH """, ) @@ -22838,18 +15752,11 @@ index = 1147, label = "C12H14 + C8H9 <=> C20H23-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (623, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (41.3379, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(623,'cm^3/(mol*s)'), n=2.41, Ea=(41.3379,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CbCs;CsJ-CbCsH """, ) @@ -22858,18 +15765,11 @@ index = 1148, label = "C12H14 + C9H11-15 <=> C21H25", degeneracy = 1.0, - kinetics = Arrhenius( - A = (99.7, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (39.0786, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(99.7,'cm^3/(mol*s)'), n=2.41, Ea=(39.0786,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CbCs;CsJ-CbCsCs """, ) @@ -22878,18 +15778,11 @@ index = 1149, label = "C3H3 + C12H14 <=> C15H17-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2340, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.2207, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2340,'cm^3/(mol*s)'), n=2.41, Ea=(43.2207,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CbCs;CsJ-CtHH """, ) @@ -22898,18 +15791,11 @@ index = 1150, label = "C4H5-12 + C12H14 <=> C16H19-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (528, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (41.2961, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(528,'cm^3/(mol*s)'), n=2.41, Ea=(41.2961,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CbCs;CsJ-CtCsH """, ) @@ -22918,18 +15804,11 @@ index = 1151, label = "C5H7-5 + C12H14 <=> C17H21-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (135, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (38.4091, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(135,'cm^3/(mol*s)'), n=2.41, Ea=(38.4091,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CbCs;CsJ-CtCsCs """, ) @@ -22938,18 +15817,11 @@ index = 1152, label = "C2H3 + C12H14 <=> C14H17-27", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3540, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (11.6315, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3540,'cm^3/(mol*s)'), n=2.41, Ea=(11.6315,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CbCs;CdsJ-H """, ) @@ -22958,18 +15830,11 @@ index = 1153, label = "C3H5 + C12H14 <=> C15H19-22", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1880, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (10.7529, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1880,'cm^3/(mol*s)'), n=2.41, Ea=(10.7529,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CbCs;CdsJ-Cs """, ) @@ -22978,18 +15843,11 @@ index = 1154, label = "C12H14 + C6H5 <=> C18H19-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (1.6736, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5600,'cm^3/(mol*s)'), n=2.41, Ea=(1.6736,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CbCs;CbJ """, ) @@ -22998,18 +15856,11 @@ index = 1155, label = "C7H8-17 + CH3 <=> C8H11-24", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9700, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (20.3342, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9700,'cm^3/(mol*s)'), n=2.41, Ea=(20.3342,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CtH;CsJ-HHH """, ) @@ -23018,18 +15869,11 @@ index = 1156, label = "C7H8-17 + C2H5 <=> C9H13-36", degeneracy = 1.0, - kinetics = Arrhenius( - A = (985, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (17.9912, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(985,'cm^3/(mol*s)'), n=2.41, Ea=(17.9912,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CtH;CsJ-CsHH """, ) @@ -23038,18 +15882,11 @@ index = 1157, label = "C7H8-17 + C3H7-2 <=> C10H15-41", degeneracy = 1.0, - kinetics = Arrhenius( - A = (790, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (12.9704, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(790,'cm^3/(mol*s)'), n=2.41, Ea=(12.9704,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CtH;CsJ-CsCsH """, ) @@ -23058,18 +15895,11 @@ index = 1158, label = "C7H8-17 + C4H9 <=> C11H17-31", degeneracy = 1.0, - kinetics = Arrhenius( - A = (585, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (7.07096, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(585,'cm^3/(mol*s)'), n=2.41, Ea=(7.07096,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CtH;CsJ-CsCsCs """, ) @@ -23078,18 +15908,11 @@ index = 1159, label = "C7H8-17 + allyl <=> C10H13-29", degeneracy = 2.0, - kinetics = Arrhenius( - A = (20400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (46.6516, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(20400,'cm^3/(mol*s)'), n=2.41, Ea=(46.6516,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CtH;CsJ-CdHH """, ) @@ -23098,18 +15921,11 @@ index = 1160, label = "C7H8-17 + C4H7-2 <=> C11H15-36", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1780, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (45.6474, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1780,'cm^3/(mol*s)'), n=2.41, Ea=(45.6474,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CtH;CsJ-CdCsH """, ) @@ -23118,18 +15934,11 @@ index = 1161, label = "C7H8-17 + C5H9 <=> C12H17-33", degeneracy = 1.0, - kinetics = Arrhenius( - A = (231, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (41.589, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(231,'cm^3/(mol*s)'), n=2.41, Ea=(41.589,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CtH;CsJ-CdCsCs """, ) @@ -23138,18 +15947,11 @@ index = 1162, label = "C7H8-17 + C5H7-3 <=> C12H15-29", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3590, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (65.6888, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3590,'cm^3/(mol*s)'), n=2.41, Ea=(65.6888,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CtH;CsJ-CdCdH """, ) @@ -23158,18 +15960,11 @@ index = 1163, label = "C7H8-17 + C6H9-12 <=> C13H17-31", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1230, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (64.9357, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1230,'cm^3/(mol*s)'), n=2.41, Ea=(64.9357,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CtH;CsJ-CdCdCs """, ) @@ -23178,18 +15973,11 @@ index = 1164, label = "C7H8-17 + C7H7-3 <=> C14H15-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4750, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (36.9447, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4750,'cm^3/(mol*s)'), n=2.41, Ea=(36.9447,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CtH;CsJ-CbHH """, ) @@ -23198,18 +15986,11 @@ index = 1165, label = "C7H8-17 + C8H9 <=> C15H17-10", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1170, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (34.0159, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1170,'cm^3/(mol*s)'), n=2.41, Ea=(34.0159,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CtH;CsJ-CbCsH """, ) @@ -23218,18 +15999,11 @@ index = 1166, label = "C7H8-17 + C9H11-15 <=> C16H19-10", degeneracy = 1.0, - kinetics = Arrhenius( - A = (187, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (31.7566, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(187,'cm^3/(mol*s)'), n=2.41, Ea=(31.7566,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CtH;CsJ-CbCsCs """, ) @@ -23238,18 +16012,11 @@ index = 1167, label = "C3H3 + C7H8-17 <=> C10H11-30", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4390, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (35.8987, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4390,'cm^3/(mol*s)'), n=2.41, Ea=(35.8987,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CtH;CsJ-CtHH """, ) @@ -23258,18 +16025,11 @@ index = 1168, label = "C7H8-17 + C4H5-12 <=> C11H13-19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (989, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (33.9741, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(989,'cm^3/(mol*s)'), n=2.41, Ea=(33.9741,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CtH;CsJ-CtCsH """, ) @@ -23278,18 +16038,11 @@ index = 1169, label = "C5H7-5 + C7H8-17 <=> C12H15-30", degeneracy = 1.0, - kinetics = Arrhenius( - A = (252, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (31.129, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(252,'cm^3/(mol*s)'), n=2.41, Ea=(31.129,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CtH;CsJ-CtCsCs """, ) @@ -23298,18 +16051,11 @@ index = 1170, label = "C7H8-17 + C2H3 <=> C9H11-28", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6640, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (4.35136, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6640,'cm^3/(mol*s)'), n=2.41, Ea=(4.35136,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CtH;CdsJ-H """, ) @@ -23318,18 +16064,11 @@ index = 1171, label = "C7H8-17 + C3H5 <=> C10H13-30", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3520, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (3.43088, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3520,'cm^3/(mol*s)'), n=2.41, Ea=(3.43088,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CtH;CdsJ-Cs """, ) @@ -23338,18 +16077,11 @@ index = 1172, label = "C7H8-17 + C6H5 <=> C13H13-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (10500, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-5.6484, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(10500,'cm^3/(mol*s)'), n=2.41, Ea=(-5.6484,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CtH;CbJ """, ) @@ -23358,18 +16090,11 @@ index = 1173, label = "C8H10-2 + CH3 <=> C9H13-37", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9930, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (19.9995, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9930,'cm^3/(mol*s)'), n=2.41, Ea=(19.9995,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CtCs;CsJ-HHH """, ) @@ -23378,18 +16103,11 @@ index = 1174, label = "C8H10-2 + C2H5 <=> C10H15-42", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1010, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (17.6146, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1010,'cm^3/(mol*s)'), n=2.41, Ea=(17.6146,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CtCs;CsJ-CsHH """, ) @@ -23398,18 +16116,11 @@ index = 1175, label = "C8H10-2 + C3H7-2 <=> C11H17-32", degeneracy = 1.0, - kinetics = Arrhenius( - A = (809, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (12.6357, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(809,'cm^3/(mol*s)'), n=2.41, Ea=(12.6357,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CtCs;CsJ-CsCsH """, ) @@ -23418,18 +16129,11 @@ index = 1176, label = "C8H10-2 + C4H9 <=> C12H19-17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (599, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (6.6944, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(599,'cm^3/(mol*s)'), n=2.41, Ea=(6.6944,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CtCs;CsJ-CsCsCs """, ) @@ -23438,18 +16142,11 @@ index = 1177, label = "C8H10-2 + allyl <=> C11H15-37", degeneracy = 2.0, - kinetics = Arrhenius( - A = (21000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (46.3169, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(21000,'cm^3/(mol*s)'), n=2.41, Ea=(46.3169,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CtCs;CsJ-CdHH """, ) @@ -23458,18 +16155,11 @@ index = 1178, label = "C8H10-2 + C4H7-2 <=> C12H17-34", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1820, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (45.3127, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1820,'cm^3/(mol*s)'), n=2.41, Ea=(45.3127,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CtCs;CsJ-CdCsH """, ) @@ -23478,18 +16168,11 @@ index = 1179, label = "C8H10-2 + C5H9 <=> C13H19-22", degeneracy = 1.0, - kinetics = Arrhenius( - A = (236, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (41.2542, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(236,'cm^3/(mol*s)'), n=2.41, Ea=(41.2542,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CtCs;CsJ-CdCsCs """, ) @@ -23498,18 +16181,11 @@ index = 1180, label = "C8H10-2 + C5H7-3 <=> C13H17-32", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3680, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (65.3122, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3680,'cm^3/(mol*s)'), n=2.41, Ea=(65.3122,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CtCs;CsJ-CdCdH """, ) @@ -23518,18 +16194,11 @@ index = 1181, label = "C8H10-2 + C6H9-12 <=> C14H19-25", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1260, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (64.5591, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1260,'cm^3/(mol*s)'), n=2.41, Ea=(64.5591,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CtCs;CsJ-CdCdCs """, ) @@ -23538,18 +16207,11 @@ index = 1182, label = "C8H10-2 + C7H7-3 <=> C15H17-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4860, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (36.5682, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4860,'cm^3/(mol*s)'), n=2.41, Ea=(36.5682,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CtCs;CsJ-CbHH """, ) @@ -23558,18 +16220,11 @@ index = 1183, label = "C8H10-2 + C8H9 <=> C16H19-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1190, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (33.6812, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1190,'cm^3/(mol*s)'), n=2.41, Ea=(33.6812,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CtCs;CsJ-CbCsH """, ) @@ -23578,18 +16233,11 @@ index = 1184, label = "C8H10-2 + C9H11-15 <=> C17H21-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (191, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (31.4218, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(191,'cm^3/(mol*s)'), n=2.41, Ea=(31.4218,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CtCs;CsJ-CbCsCs """, ) @@ -23598,18 +16246,11 @@ index = 1185, label = "C8H10-2 + C3H3 <=> C11H13-20", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4490, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (35.564, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4490,'cm^3/(mol*s)'), n=2.41, Ea=(35.564,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CtCs;CsJ-CtHH """, ) @@ -23618,18 +16259,11 @@ index = 1186, label = "C8H10-2 + C4H5-12 <=> C12H15-31", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1010, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (33.5975, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1010,'cm^3/(mol*s)'), n=2.41, Ea=(33.5975,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CtCs;CsJ-CtCsH """, ) @@ -23638,18 +16272,11 @@ index = 1187, label = "C5H7-5 + C8H10-2 <=> C13H17-33", degeneracy = 1.0, - kinetics = Arrhenius( - A = (258, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (30.7524, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(258,'cm^3/(mol*s)'), n=2.41, Ea=(30.7524,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CtCs;CsJ-CtCsCs """, ) @@ -23658,18 +16285,11 @@ index = 1188, label = "C8H10-2 + C2H3 <=> C10H13-31", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6790, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (3.9748, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6790,'cm^3/(mol*s)'), n=2.41, Ea=(3.9748,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CtCs;CdsJ-H """, ) @@ -23678,18 +16298,11 @@ index = 1189, label = "C8H10-2 + C3H5 <=> C11H15-38", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (3.09616, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3600,'cm^3/(mol*s)'), n=2.41, Ea=(3.09616,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CtCs;CdsJ-Cs """, ) @@ -23698,18 +16311,11 @@ index = 1190, label = "C8H10-2 + C6H5 <=> C14H15-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (10700, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-5.98312, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(10700,'cm^3/(mol*s)'), n=2.41, Ea=(-5.98312,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CtCs;CbJ """, ) @@ -23718,18 +16324,11 @@ index = 1191, label = "CH3 + C6H8-10 <=> C7H11-33", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7160, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (36.359, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7160,'cm^3/(mol*s)'), n=2.41, Ea=(36.359,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Ca;CsJ-HHH """, ) @@ -23738,18 +16337,11 @@ index = 1192, label = "C6H8-10 + C2H5 <=> C8H13-41", degeneracy = 1.0, - kinetics = Arrhenius( - A = (728, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (33.9741, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(728,'cm^3/(mol*s)'), n=2.41, Ea=(33.9741,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Ca;CsJ-CsHH """, ) @@ -23758,18 +16350,11 @@ index = 1193, label = "C6H8-10 + C3H7-2 <=> C9H15-43", degeneracy = 1.0, - kinetics = Arrhenius( - A = (584, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (28.9951, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(584,'cm^3/(mol*s)'), n=2.41, Ea=(28.9951,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Ca;CsJ-CsCsH """, ) @@ -23778,18 +16363,11 @@ index = 1194, label = "C6H8-10 + C4H9 <=> C10H17-32", degeneracy = 1.0, - kinetics = Arrhenius( - A = (432, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (23.0538, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(432,'cm^3/(mol*s)'), n=2.41, Ea=(23.0538,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Ca;CsJ-CsCsCs """, ) @@ -23798,18 +16376,11 @@ index = 1195, label = "C6H8-10 + allyl <=> C9H13-38", degeneracy = 2.0, - kinetics = Arrhenius( - A = (15120, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (62.6763, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(15120,'cm^3/(mol*s)'), n=2.41, Ea=(62.6763,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Ca;CsJ-CdHH """, ) @@ -23818,18 +16389,11 @@ index = 1196, label = "C6H8-10 + C4H7-2 <=> C10H15-43", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1320, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (61.6722, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1320,'cm^3/(mol*s)'), n=2.41, Ea=(61.6722,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Ca;CsJ-CdCsH """, ) @@ -23838,18 +16402,11 @@ index = 1197, label = "C6H8-10 + C5H9 <=> C11H17-33", degeneracy = 1.0, - kinetics = Arrhenius( - A = (170, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (57.6137, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(170,'cm^3/(mol*s)'), n=2.41, Ea=(57.6137,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Ca;CsJ-CdCsCs """, ) @@ -23858,18 +16415,11 @@ index = 1198, label = "C6H8-10 + C5H7-3 <=> C11H15-39", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2660, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (81.7135, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2660,'cm^3/(mol*s)'), n=2.41, Ea=(81.7135,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Ca;CsJ-CdCdH """, ) @@ -23878,18 +16428,11 @@ index = 1199, label = "C6H8-10 + C6H9-12 <=> C12H17-35", degeneracy = 1.0, - kinetics = Arrhenius( - A = (907, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (80.9604, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(907,'cm^3/(mol*s)'), n=2.41, Ea=(80.9604,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Ca;CsJ-CdCdCs """, ) @@ -23898,18 +16441,11 @@ index = 1200, label = "C6H8-10 + C7H7-3 <=> C13H15-23", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3510, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (52.9694, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3510,'cm^3/(mol*s)'), n=2.41, Ea=(52.9694,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Ca;CsJ-CbHH """, ) @@ -23918,18 +16454,11 @@ index = 1201, label = "C6H8-10 + C8H9 <=> C14H17-28", degeneracy = 1.0, - kinetics = Arrhenius( - A = (862, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (50.0406, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(862,'cm^3/(mol*s)'), n=2.41, Ea=(50.0406,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Ca;CsJ-CbCsH """, ) @@ -23938,18 +16467,11 @@ index = 1202, label = "C6H8-10 + C9H11-15 <=> C15H19-23", degeneracy = 1.0, - kinetics = Arrhenius( - A = (138, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (47.7813, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(138,'cm^3/(mol*s)'), n=2.41, Ea=(47.7813,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Ca;CsJ-CbCsCs """, ) @@ -23958,18 +16480,11 @@ index = 1203, label = "C3H3 + C6H8-10 <=> C9H11-29", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3240, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (51.9234, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3240,'cm^3/(mol*s)'), n=2.41, Ea=(51.9234,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Ca;CsJ-CtHH """, ) @@ -23978,18 +16493,11 @@ index = 1204, label = "C4H5-12 + C6H8-10 <=> C10H13-32", degeneracy = 1.0, - kinetics = Arrhenius( - A = (731, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (49.9988, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(731,'cm^3/(mol*s)'), n=2.41, Ea=(49.9988,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Ca;CsJ-CtCsH """, ) @@ -23998,18 +16506,11 @@ index = 1205, label = "C5H7-5 + C6H8-10 <=> C11H15-40", degeneracy = 1.0, - kinetics = Arrhenius( - A = (186, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (47.1118, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(186,'cm^3/(mol*s)'), n=2.41, Ea=(47.1118,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Ca;CsJ-CtCsCs """, ) @@ -24018,18 +16519,11 @@ index = 1206, label = "C2H3 + C6H8-10 <=> C8H11-25", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4900, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (20.3342, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4900,'cm^3/(mol*s)'), n=2.41, Ea=(20.3342,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Ca;CdsJ-H """, ) @@ -24038,18 +16532,11 @@ index = 1207, label = "C6H8-10 + C3H5 <=> C9H13-39", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (19.4556, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2600,'cm^3/(mol*s)'), n=2.41, Ea=(19.4556,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Ca;CdsJ-Cs """, ) @@ -24058,18 +16545,11 @@ index = 1208, label = "C6H8-10 + C6H5 <=> C12H13-13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7740, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (10.3763, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7740,'cm^3/(mol*s)'), n=2.41, Ea=(10.3763,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Ca;CbJ """, ) @@ -24078,18 +16558,11 @@ index = 1209, label = "CH3 + C6H8-11 <=> C7H11-34", degeneracy = 1.0, - kinetics = Arrhenius( - A = (14000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (34.2251, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(14000,'cm^3/(mol*s)'), n=2.41, Ea=(34.2251,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-HH;CsJ-HHH """, ) @@ -24098,18 +16571,11 @@ index = 1210, label = "C6H8-11 + C2H5 <=> C8H13-42", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1430, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (31.8402, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1430,'cm^3/(mol*s)'), n=2.41, Ea=(31.8402,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-HH;CsJ-CsHH """, ) @@ -24118,18 +16584,11 @@ index = 1211, label = "C6H8-11 + C3H7-2 <=> C9H15-44", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1140, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (26.8613, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1140,'cm^3/(mol*s)'), n=2.41, Ea=(26.8613,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-HH;CsJ-CsCsH """, ) @@ -24138,18 +16597,11 @@ index = 1212, label = "C6H8-11 + C4H9 <=> C10H17-33", degeneracy = 1.0, - kinetics = Arrhenius( - A = (847, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (20.92, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(847,'cm^3/(mol*s)'), n=2.41, Ea=(20.92,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-HH;CsJ-CsCsCs """, ) @@ -24158,18 +16610,11 @@ index = 1213, label = "C6H8-11 + allyl <=> C9H13-40", degeneracy = 2.0, - kinetics = Arrhenius( - A = (29600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (60.5425, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(29600,'cm^3/(mol*s)'), n=2.41, Ea=(60.5425,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-HH;CsJ-CdHH """, ) @@ -24178,18 +16623,11 @@ index = 1214, label = "C6H8-11 + C4H7-2 <=> C10H15-44", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2580, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (59.5383, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2580,'cm^3/(mol*s)'), n=2.41, Ea=(59.5383,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-HH;CsJ-CdCsH """, ) @@ -24198,18 +16636,11 @@ index = 1215, label = "C6H8-11 + C5H9 <=> C11H17-34", degeneracy = 1.0, - kinetics = Arrhenius( - A = (334, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (55.4798, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(334,'cm^3/(mol*s)'), n=2.41, Ea=(55.4798,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-HH;CsJ-CdCsCs """, ) @@ -24218,18 +16649,11 @@ index = 1216, label = "C6H8-11 + C5H7-3 <=> C11H15-41", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (79.5378, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5200,'cm^3/(mol*s)'), n=2.41, Ea=(79.5378,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-HH;CsJ-CdCdH """, ) @@ -24238,18 +16662,11 @@ index = 1217, label = "C6H8-11 + C6H9-12 <=> C12H17-36", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1780, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (78.7847, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1780,'cm^3/(mol*s)'), n=2.41, Ea=(78.7847,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-HH;CsJ-CdCdCs """, ) @@ -24258,18 +16675,11 @@ index = 1218, label = "C6H8-11 + C7H7-3 <=> C13H15-24", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6870, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (50.7938, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6870,'cm^3/(mol*s)'), n=2.41, Ea=(50.7938,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-HH;CsJ-CbHH """, ) @@ -24278,18 +16688,11 @@ index = 1219, label = "C6H8-11 + C8H9 <=> C14H17-29", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1690, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (47.9068, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1690,'cm^3/(mol*s)'), n=2.41, Ea=(47.9068,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-HH;CsJ-CbCsH """, ) @@ -24298,18 +16701,11 @@ index = 1220, label = "C6H8-11 + C9H11-15 <=> C15H19-24", degeneracy = 1.0, - kinetics = Arrhenius( - A = (270, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (45.6474, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(270,'cm^3/(mol*s)'), n=2.41, Ea=(45.6474,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-HH;CsJ-CbCsCs """, ) @@ -24318,18 +16714,11 @@ index = 1221, label = "C3H3 + C6H8-11 <=> C9H11-30", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6350, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (49.7896, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6350,'cm^3/(mol*s)'), n=2.41, Ea=(49.7896,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-HH;CsJ-CtHH """, ) @@ -24338,18 +16727,11 @@ index = 1222, label = "C4H5-12 + C6H8-11 <=> C10H13-33", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1430, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (47.8231, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1430,'cm^3/(mol*s)'), n=2.41, Ea=(47.8231,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-HH;CsJ-CtCsH """, ) @@ -24358,18 +16740,11 @@ index = 1223, label = "C5H7-5 + C6H8-11 <=> C11H15-42", degeneracy = 1.0, - kinetics = Arrhenius( - A = (365, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (44.978, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(365,'cm^3/(mol*s)'), n=2.41, Ea=(44.978,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-HH;CsJ-CtCsCs """, ) @@ -24378,18 +16753,11 @@ index = 1224, label = "C2H3 + C6H8-11 <=> C8H11-26", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9610, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (18.2004, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9610,'cm^3/(mol*s)'), n=2.41, Ea=(18.2004,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-HH;CdsJ-H """, ) @@ -24398,18 +16766,11 @@ index = 1225, label = "C3H5 + C6H8-11 <=> C9H13-41", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5090, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (17.3218, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5090,'cm^3/(mol*s)'), n=2.41, Ea=(17.3218,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-HH;CdsJ-Cs """, ) @@ -24418,18 +16779,11 @@ index = 1226, label = "C6H8-11 + C6H5 <=> C12H13-14", degeneracy = 1.0, - kinetics = Arrhenius( - A = (15200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (8.24248, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(15200,'cm^3/(mol*s)'), n=2.41, Ea=(8.24248,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-HH;CbJ """, ) @@ -24438,18 +16792,11 @@ index = 1227, label = "CH3 + C7H10-7 <=> C8H13-43", degeneracy = 1.0, - kinetics = Arrhenius( - A = (14100, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (32.9281, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(14100,'cm^3/(mol*s)'), n=2.41, Ea=(32.9281,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CsH;CsJ-HHH """, ) @@ -24458,18 +16805,11 @@ index = 1228, label = "C7H10-7 + C2H5 <=> C9H15-45", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1430, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (30.5432, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1430,'cm^3/(mol*s)'), n=2.41, Ea=(30.5432,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CsH;CsJ-CsHH """, ) @@ -24478,18 +16818,11 @@ index = 1229, label = "C7H10-7 + C3H7-2 <=> C10H17-34", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1150, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (25.5224, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1150,'cm^3/(mol*s)'), n=2.41, Ea=(25.5224,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CsH;CsJ-CsCsH """, ) @@ -24498,18 +16831,11 @@ index = 1230, label = "C7H10-7 + C4H9 <=> C11H19-17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (851, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (19.623, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(851,'cm^3/(mol*s)'), n=2.41, Ea=(19.623,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CsH;CsJ-CsCsCs """, ) @@ -24518,18 +16844,11 @@ index = 1231, label = "C7H10-7 + allyl <=> C10H15-45", degeneracy = 2.0, - kinetics = Arrhenius( - A = (29800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (59.2454, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(29800,'cm^3/(mol*s)'), n=2.41, Ea=(59.2454,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CsH;CsJ-CdHH """, ) @@ -24538,18 +16857,11 @@ index = 1232, label = "C7H10-7 + C4H7-2 <=> C11H17-35", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2590, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (58.2413, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2590,'cm^3/(mol*s)'), n=2.41, Ea=(58.2413,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CsH;CsJ-CdCsH """, ) @@ -24558,18 +16870,11 @@ index = 1233, label = "C7H10-7 + C5H9 <=> C12H19-18", degeneracy = 1.0, - kinetics = Arrhenius( - A = (335, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (54.141, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(335,'cm^3/(mol*s)'), n=2.41, Ea=(54.141,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CsH;CsJ-CdCsCs """, ) @@ -24578,18 +16883,11 @@ index = 1234, label = "C5H7-3 + C7H10-7 <=> C12H17-37", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5230, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (78.2408, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5230,'cm^3/(mol*s)'), n=2.41, Ea=(78.2408,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CsH;CsJ-CdCdH """, ) @@ -24598,18 +16896,11 @@ index = 1235, label = "C6H9-12 + C7H10-7 <=> C13H19-23", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1780, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (77.4877, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1780,'cm^3/(mol*s)'), n=2.41, Ea=(77.4877,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CsH;CsJ-CdCdCs """, ) @@ -24618,18 +16909,11 @@ index = 1236, label = "C7H10-7 + C7H7-3 <=> C14H17-30", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6900, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (49.4967, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6900,'cm^3/(mol*s)'), n=2.41, Ea=(49.4967,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CsH;CsJ-CbHH """, ) @@ -24638,18 +16922,11 @@ index = 1237, label = "C7H10-7 + C8H9 <=> C15H19-25", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1700, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (46.6098, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1700,'cm^3/(mol*s)'), n=2.41, Ea=(46.6098,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CsH;CsJ-CbCsH """, ) @@ -24658,18 +16935,11 @@ index = 1238, label = "C7H10-7 + C9H11-15 <=> C16H21-14", degeneracy = 1.0, - kinetics = Arrhenius( - A = (271, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (44.3504, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(271,'cm^3/(mol*s)'), n=2.41, Ea=(44.3504,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CsH;CsJ-CbCsCs """, ) @@ -24678,18 +16948,11 @@ index = 1239, label = "C3H3 + C7H10-7 <=> C10H13-34", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6380, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (48.4926, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6380,'cm^3/(mol*s)'), n=2.41, Ea=(48.4926,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CsH;CsJ-CtHH """, ) @@ -24698,18 +16961,11 @@ index = 1240, label = "C4H5-12 + C7H10-7 <=> C11H15-43", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1440, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (46.5261, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1440,'cm^3/(mol*s)'), n=2.41, Ea=(46.5261,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CsH;CsJ-CtCsH """, ) @@ -24718,18 +16974,11 @@ index = 1241, label = "C5H7-5 + C7H10-7 <=> C12H17-38", degeneracy = 1.0, - kinetics = Arrhenius( - A = (367, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.681, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(367,'cm^3/(mol*s)'), n=2.41, Ea=(43.681,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CsH;CsJ-CtCsCs """, ) @@ -24738,18 +16987,11 @@ index = 1242, label = "C2H3 + C7H10-7 <=> C9H13-42", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9650, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (16.9034, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9650,'cm^3/(mol*s)'), n=2.41, Ea=(16.9034,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CsH;CdsJ-H """, ) @@ -24758,18 +17000,11 @@ index = 1243, label = "C3H5 + C7H10-7 <=> C10H15-46", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5110, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (16.0247, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5110,'cm^3/(mol*s)'), n=2.41, Ea=(16.0247,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CsH;CdsJ-Cs """, ) @@ -24778,18 +17013,11 @@ index = 1244, label = "C7H10-7 + C6H5 <=> C13H15-25", degeneracy = 1.0, - kinetics = Arrhenius( - A = (15200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (6.9036, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(15200,'cm^3/(mol*s)'), n=2.41, Ea=(6.9036,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CsH;CbJ """, ) @@ -24798,18 +17026,11 @@ index = 1245, label = "CH3 + C8H12-3 <=> C9H15-46", degeneracy = 1.0, - kinetics = Arrhenius( - A = (17700, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (31.2963, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(17700,'cm^3/(mol*s)'), n=2.41, Ea=(31.2963,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CsCs;CsJ-HHH """, ) @@ -24818,18 +17039,11 @@ index = 1246, label = "C8H12-3 + C2H5 <=> C10H17-35", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (28.9114, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1800,'cm^3/(mol*s)'), n=2.41, Ea=(28.9114,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CsCs;CsJ-CsHH """, ) @@ -24838,18 +17052,11 @@ index = 1247, label = "C8H12-3 + C3H7-2 <=> C11H19-18", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1450, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (23.9325, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1450,'cm^3/(mol*s)'), n=2.41, Ea=(23.9325,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CsCs;CsJ-CsCsH """, ) @@ -24858,18 +17065,11 @@ index = 1248, label = "C8H12-3 + C4H9 <=> C12H21-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1070, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (17.9912, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1070,'cm^3/(mol*s)'), n=2.41, Ea=(17.9912,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CsCs;CsJ-CsCsCs """, ) @@ -24878,18 +17078,11 @@ index = 1249, label = "C8H12-3 + allyl <=> C11H17-36", degeneracy = 2.0, - kinetics = Arrhenius( - A = (37400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (57.6137, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(37400,'cm^3/(mol*s)'), n=2.41, Ea=(57.6137,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CsCs;CsJ-CdHH """, ) @@ -24898,18 +17091,11 @@ index = 1250, label = "C8H12-3 + C4H7-2 <=> C12H19-19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3260, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (56.6095, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3260,'cm^3/(mol*s)'), n=2.41, Ea=(56.6095,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CsCs;CsJ-CdCsH """, ) @@ -24918,18 +17104,11 @@ index = 1251, label = "C8H12-3 + C5H9 <=> C13H21-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (422, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (52.551, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(422,'cm^3/(mol*s)'), n=2.41, Ea=(52.551,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CsCs;CsJ-CdCsCs """, ) @@ -24938,18 +17117,11 @@ index = 1252, label = "C5H7-3 + C8H12-3 <=> C13H19-24", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6570, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (76.6509, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6570,'cm^3/(mol*s)'), n=2.41, Ea=(76.6509,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CsCs;CsJ-CdCdH """, ) @@ -24958,18 +17130,11 @@ index = 1253, label = "C8H12-3 + C6H9-12 <=> C14H21-10", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2240, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (75.8978, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2240,'cm^3/(mol*s)'), n=2.41, Ea=(75.8978,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CsCs;CsJ-CdCdCs """, ) @@ -24978,18 +17143,11 @@ index = 1254, label = "C8H12-3 + C7H7-3 <=> C15H19-26", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8680, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (47.9068, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8680,'cm^3/(mol*s)'), n=2.41, Ea=(47.9068,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CsCs;CsJ-CbHH """, ) @@ -24998,18 +17156,11 @@ index = 1255, label = "C8H12-3 + C8H9 <=> C16H21-15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2130, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (44.978, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2130,'cm^3/(mol*s)'), n=2.41, Ea=(44.978,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CsCs;CsJ-CbCsH """, ) @@ -25018,18 +17169,11 @@ index = 1256, label = "C8H12-3 + C9H11-15 <=> C17H23-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (342, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (42.7186, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(342,'cm^3/(mol*s)'), n=2.41, Ea=(42.7186,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CsCs;CsJ-CbCsCs """, ) @@ -25038,18 +17182,11 @@ index = 1257, label = "C3H3 + C8H12-3 <=> C11H15-44", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8020, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (46.8608, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8020,'cm^3/(mol*s)'), n=2.41, Ea=(46.8608,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CsCs;CsJ-CtHH """, ) @@ -25058,18 +17195,11 @@ index = 1258, label = "C4H5-12 + C8H12-3 <=> C12H17-39", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1810, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (44.9362, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1810,'cm^3/(mol*s)'), n=2.41, Ea=(44.9362,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CsCs;CsJ-CtCsH """, ) @@ -25078,18 +17208,11 @@ index = 1259, label = "C5H7-5 + C8H12-3 <=> C13H19-25", degeneracy = 1.0, - kinetics = Arrhenius( - A = (462, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (42.0492, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(462,'cm^3/(mol*s)'), n=2.41, Ea=(42.0492,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CsCs;CsJ-CtCsCs """, ) @@ -25098,18 +17221,11 @@ index = 1260, label = "C2H3 + C8H12-3 <=> C10H15-47", degeneracy = 1.0, - kinetics = Arrhenius( - A = (12100, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (15.2716, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(12100,'cm^3/(mol*s)'), n=2.41, Ea=(15.2716,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CsCs;CdsJ-H """, ) @@ -25118,18 +17234,11 @@ index = 1261, label = "C3H5 + C8H12-3 <=> C11H17-37", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6430, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (14.393, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6430,'cm^3/(mol*s)'), n=2.41, Ea=(14.393,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CsCs;CdsJ-Cs """, ) @@ -25138,18 +17247,11 @@ index = 1262, label = "C8H12-3 + C6H5 <=> C14H17-31", degeneracy = 1.0, - kinetics = Arrhenius( - A = (19200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (5.31368, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(19200,'cm^3/(mol*s)'), n=2.41, Ea=(5.31368,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CsCs;CbJ """, ) @@ -25158,18 +17260,11 @@ index = 1263, label = "CH3 + C8H10-3 <=> C9H13-43", degeneracy = 1.0, - kinetics = Arrhenius( - A = (15800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (21.2129, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(15800,'cm^3/(mol*s)'), n=2.41, Ea=(21.2129,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdH;CsJ-HHH """, ) @@ -25178,18 +17273,11 @@ index = 1264, label = "C8H10-3 + C2H5 <=> C10H15-48", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1610, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (18.8698, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1610,'cm^3/(mol*s)'), n=2.41, Ea=(18.8698,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdH;CsJ-CsHH """, ) @@ -25198,18 +17286,11 @@ index = 1265, label = "C8H10-3 + C3H7-2 <=> C11H17-38", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1290, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (13.849, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1290,'cm^3/(mol*s)'), n=2.41, Ea=(13.849,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdH;CsJ-CsCsH """, ) @@ -25218,18 +17299,11 @@ index = 1266, label = "C8H10-3 + C4H9 <=> C12H19-20", degeneracy = 1.0, - kinetics = Arrhenius( - A = (955, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (7.9496, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(955,'cm^3/(mol*s)'), n=2.41, Ea=(7.9496,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdH;CsJ-CsCsCs """, ) @@ -25238,18 +17312,11 @@ index = 1267, label = "C8H10-3 + allyl <=> C11H15-45", degeneracy = 2.0, - kinetics = Arrhenius( - A = (33400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (47.5302, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(33400,'cm^3/(mol*s)'), n=2.41, Ea=(47.5302,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdH;CsJ-CdHH """, ) @@ -25258,18 +17325,11 @@ index = 1268, label = "C8H10-3 + C4H7-2 <=> C12H17-40", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2910, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (46.5261, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2910,'cm^3/(mol*s)'), n=2.41, Ea=(46.5261,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdH;CsJ-CdCsH """, ) @@ -25278,18 +17338,11 @@ index = 1269, label = "C8H10-3 + C5H9 <=> C13H19-26", degeneracy = 1.0, - kinetics = Arrhenius( - A = (376, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (42.4676, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(376,'cm^3/(mol*s)'), n=2.41, Ea=(42.4676,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdH;CsJ-CdCsCs """, ) @@ -25298,18 +17351,11 @@ index = 1270, label = "C5H7-3 + C8H10-3 <=> C13H17-34", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5870, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (66.5674, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5870,'cm^3/(mol*s)'), n=2.41, Ea=(66.5674,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdH;CsJ-CdCdH """, ) @@ -25318,18 +17364,11 @@ index = 1271, label = "C8H10-3 + C6H9-12 <=> C14H19-26", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (65.8143, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2000,'cm^3/(mol*s)'), n=2.41, Ea=(65.8143,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdH;CsJ-CdCdCs """, ) @@ -25338,18 +17377,11 @@ index = 1272, label = "C8H10-3 + C7H7-3 <=> C15H17-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7750, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (37.8234, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7750,'cm^3/(mol*s)'), n=2.41, Ea=(37.8234,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdH;CsJ-CbHH """, ) @@ -25358,18 +17390,11 @@ index = 1273, label = "C8H10-3 + C8H9 <=> C16H19-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1910, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (34.8946, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1910,'cm^3/(mol*s)'), n=2.41, Ea=(34.8946,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdH;CsJ-CbCsH """, ) @@ -25378,18 +17403,11 @@ index = 1274, label = "C8H10-3 + C9H11-15 <=> C17H21-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (305, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (32.6352, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(305,'cm^3/(mol*s)'), n=2.41, Ea=(32.6352,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdH;CsJ-CbCsCs """, ) @@ -25398,18 +17416,11 @@ index = 1275, label = "C3H3 + C8H10-3 <=> C11H13-21", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7160, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (36.7774, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7160,'cm^3/(mol*s)'), n=2.41, Ea=(36.7774,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdH;CsJ-CtHH """, ) @@ -25418,18 +17429,11 @@ index = 1276, label = "C4H5-12 + C8H10-3 <=> C12H15-32", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1610, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (34.8527, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1610,'cm^3/(mol*s)'), n=2.41, Ea=(34.8527,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdH;CsJ-CtCsH """, ) @@ -25438,18 +17442,11 @@ index = 1277, label = "C5H7-5 + C8H10-3 <=> C13H17-35", degeneracy = 1.0, - kinetics = Arrhenius( - A = (412, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (32.0076, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(412,'cm^3/(mol*s)'), n=2.41, Ea=(32.0076,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdH;CsJ-CtCsCs """, ) @@ -25458,18 +17455,11 @@ index = 1278, label = "C2H3 + C8H10-3 <=> C10H13-35", degeneracy = 1.0, - kinetics = Arrhenius( - A = (10800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (5.23, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(10800,'cm^3/(mol*s)'), n=2.41, Ea=(5.23,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdH;CdsJ-H """, ) @@ -25478,18 +17468,11 @@ index = 1279, label = "C3H5 + C8H10-3 <=> C11H15-46", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5740, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (4.30952, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5740,'cm^3/(mol*s)'), n=2.41, Ea=(4.30952,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdH;CdsJ-Cs """, ) @@ -25498,18 +17481,11 @@ index = 1280, label = "C8H10-3 + C6H5 <=> C14H15-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (17100, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-4.76976, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(17100,'cm^3/(mol*s)'), n=2.41, Ea=(-4.76976,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdH;CbJ """, ) @@ -25518,18 +17494,11 @@ index = 1281, label = "CH3 + C9H12-2 <=> C10H15-49", degeneracy = 1.0, - kinetics = Arrhenius( - A = (18000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (19.4556, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(18000,'cm^3/(mol*s)'), n=2.41, Ea=(19.4556,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdCs;CsJ-HHH """, ) @@ -25538,18 +17507,11 @@ index = 1282, label = "C9H12-2 + C2H5 <=> C11H17-39", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1820, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (17.1126, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1820,'cm^3/(mol*s)'), n=2.41, Ea=(17.1126,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdCs;CsJ-CsHH """, ) @@ -25558,18 +17520,11 @@ index = 1283, label = "C9H12-2 + C3H7-2 <=> C12H19-21", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1460, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (12.0918, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1460,'cm^3/(mol*s)'), n=2.41, Ea=(12.0918,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdCs;CsJ-CsCsH """, ) @@ -25578,18 +17533,11 @@ index = 1284, label = "C9H12-2 + C4H9 <=> C13H21-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1080, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (6.19232, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1080,'cm^3/(mol*s)'), n=2.41, Ea=(6.19232,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdCs;CsJ-CsCsCs """, ) @@ -25598,18 +17546,11 @@ index = 1285, label = "C9H12-2 + allyl <=> C12H17-41", degeneracy = 2.0, - kinetics = Arrhenius( - A = (38000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (45.773, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(38000,'cm^3/(mol*s)'), n=2.41, Ea=(45.773,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdCs;CsJ-CdHH """, ) @@ -25618,18 +17559,11 @@ index = 1286, label = "C4H7-2 + C9H12-2 <=> C13H19-27", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3300, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (44.8106, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3300,'cm^3/(mol*s)'), n=2.41, Ea=(44.8106,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdCs;CsJ-CdCsH """, ) @@ -25638,18 +17572,11 @@ index = 1287, label = "C9H12-2 + C5H9 <=> C14H21-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (427, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (40.7103, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(427,'cm^3/(mol*s)'), n=2.41, Ea=(40.7103,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdCs;CsJ-CdCsCs """, ) @@ -25658,18 +17585,11 @@ index = 1288, label = "C9H12-2 + C5H7-3 <=> C14H19-27", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6660, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (64.8102, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6660,'cm^3/(mol*s)'), n=2.41, Ea=(64.8102,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdCs;CsJ-CdCdH """, ) @@ -25678,18 +17598,11 @@ index = 1289, label = "C6H9-12 + C9H12-2 <=> C15H21-14", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2270, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (64.057, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2270,'cm^3/(mol*s)'), n=2.41, Ea=(64.057,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdCs;CsJ-CdCdCs """, ) @@ -25698,18 +17611,11 @@ index = 1290, label = "C9H12-2 + C7H7-3 <=> C16H19-13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8790, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (36.0661, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8790,'cm^3/(mol*s)'), n=2.41, Ea=(36.0661,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdCs;CsJ-CbHH """, ) @@ -25718,18 +17624,11 @@ index = 1291, label = "C9H12-2 + C8H9 <=> C17H21-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2160, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (33.1373, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2160,'cm^3/(mol*s)'), n=2.41, Ea=(33.1373,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdCs;CsJ-CbCsH """, ) @@ -25738,18 +17637,11 @@ index = 1292, label = "C9H12-2 + C9H11-15 <=> C18H23-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (346, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (30.8779, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(346,'cm^3/(mol*s)'), n=2.41, Ea=(30.8779,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdCs;CsJ-CbCsCs """, ) @@ -25758,18 +17650,11 @@ index = 1293, label = "C3H3 + C9H12-2 <=> C12H15-33", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8130, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (35.0201, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8130,'cm^3/(mol*s)'), n=2.41, Ea=(35.0201,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdCs;CsJ-CtHH """, ) @@ -25778,18 +17663,11 @@ index = 1294, label = "C4H5-12 + C9H12-2 <=> C13H17-36", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1830, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (33.0954, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1830,'cm^3/(mol*s)'), n=2.41, Ea=(33.0954,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdCs;CsJ-CtCsH """, ) @@ -25798,18 +17676,11 @@ index = 1295, label = "C5H7-5 + C9H12-2 <=> C14H19-28", degeneracy = 1.0, - kinetics = Arrhenius( - A = (467, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (30.2503, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(467,'cm^3/(mol*s)'), n=2.41, Ea=(30.2503,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdCs;CsJ-CtCsCs """, ) @@ -25818,18 +17689,11 @@ index = 1296, label = "C2H3 + C9H12-2 <=> C11H15-47", degeneracy = 1.0, - kinetics = Arrhenius( - A = (12300, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (3.47272, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(12300,'cm^3/(mol*s)'), n=2.41, Ea=(3.47272,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdCs;CdsJ-H """, ) @@ -25838,18 +17702,11 @@ index = 1297, label = "C3H5 + C9H12-2 <=> C12H17-42", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6520, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (2.55224, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6520,'cm^3/(mol*s)'), n=2.41, Ea=(2.55224,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdCs;CdsJ-Cs """, ) @@ -25858,18 +17715,11 @@ index = 1298, label = "C9H12-2 + C6H5 <=> C15H17-13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (19400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-6.52704, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(19400,'cm^3/(mol*s)'), n=2.41, Ea=(-6.52704,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdCs;CbJ """, ) @@ -25878,18 +17728,11 @@ index = 1299, label = "CH3 + C10H12-3 <=> C11H15-48", degeneracy = 2.0, - kinetics = Arrhenius( - A = (109600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (15.69, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(109600,'cm^3/(mol*s)'), n=2.41, Ea=(15.69,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdCd;CsJ-HHH """, ) @@ -25898,18 +17741,11 @@ index = 1300, label = "C10H12-3 + C2H5 <=> C12H17-43", degeneracy = 2.0, - kinetics = Arrhenius( - A = (11120, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (13.3051, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(11120,'cm^3/(mol*s)'), n=2.41, Ea=(13.3051,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdCd;CsJ-CsHH """, ) @@ -25918,18 +17754,11 @@ index = 1301, label = "C10H12-3 + C3H7-2 <=> C13H19-28", degeneracy = 2.0, - kinetics = Arrhenius( - A = (8920, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (8.32616, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8920,'cm^3/(mol*s)'), n=2.41, Ea=(8.32616,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdCd;CsJ-CsCsH """, ) @@ -25938,18 +17767,11 @@ index = 1302, label = "C10H12-3 + C4H9 <=> C14H21-12", degeneracy = 2.0, - kinetics = Arrhenius( - A = (6600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (2.38488, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6600,'cm^3/(mol*s)'), n=2.41, Ea=(2.38488,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdCd;CsJ-CsCsCs """, ) @@ -25958,18 +17780,11 @@ index = 1303, label = "C10H12-3 + allyl <=> C13H17-37", degeneracy = 4.0, - kinetics = Arrhenius( - A = (231200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (42.0074, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(231200,'cm^3/(mol*s)'), n=2.41, Ea=(42.0074,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdCd;CsJ-CdHH """, ) @@ -25978,18 +17793,11 @@ index = 1304, label = "C10H12-3 + C4H7-2 <=> C14H19-29", degeneracy = 2.0, - kinetics = Arrhenius( - A = (20200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (41.0032, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(20200,'cm^3/(mol*s)'), n=2.41, Ea=(41.0032,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdCd;CsJ-CdCsH """, ) @@ -25998,18 +17806,11 @@ index = 1305, label = "C10H12-3 + C5H9 <=> C15H21-15", degeneracy = 2.0, - kinetics = Arrhenius( - A = (2600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (36.9447, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2600,'cm^3/(mol*s)'), n=2.41, Ea=(36.9447,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdCd;CsJ-CdCsCs """, ) @@ -26018,18 +17819,11 @@ index = 1306, label = "C5H7-3 + C10H12-3 <=> C15H19-27", degeneracy = 2.0, - kinetics = Arrhenius( - A = (40600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (61.0446, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(40600,'cm^3/(mol*s)'), n=2.41, Ea=(61.0446,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdCd;CsJ-CdCdH """, ) @@ -26038,18 +17832,11 @@ index = 1307, label = "C10H12-3 + C6H9-12 <=> C16H21-16", degeneracy = 2.0, - kinetics = Arrhenius( - A = (13860, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (60.2914, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(13860,'cm^3/(mol*s)'), n=2.41, Ea=(60.2914,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdCd;CsJ-CdCdCs """, ) @@ -26058,18 +17845,11 @@ index = 1308, label = "C10H12-3 + C7H7-3 <=> C17H19-7", degeneracy = 2.0, - kinetics = Arrhenius( - A = (53600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (32.3005, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(53600,'cm^3/(mol*s)'), n=2.41, Ea=(32.3005,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdCd;CsJ-CbHH """, ) @@ -26078,18 +17858,11 @@ index = 1309, label = "C10H12-3 + C8H9 <=> C18H21-6", degeneracy = 2.0, - kinetics = Arrhenius( - A = (13180, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (29.3717, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(13180,'cm^3/(mol*s)'), n=2.41, Ea=(29.3717,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdCd;CsJ-CbCsH """, ) @@ -26098,18 +17871,11 @@ index = 1310, label = "C10H12-3 + C9H11-15 <=> C19H23-4", degeneracy = 2.0, - kinetics = Arrhenius( - A = (2100, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (27.1123, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2100,'cm^3/(mol*s)'), n=2.41, Ea=(27.1123,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdCd;CsJ-CbCsCs """, ) @@ -26118,18 +17884,11 @@ index = 1311, label = "C3H3 + C10H12-3 <=> C13H15-26", degeneracy = 2.0, - kinetics = Arrhenius( - A = (49600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (31.2545, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(49600,'cm^3/(mol*s)'), n=2.41, Ea=(31.2545,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdCd;CsJ-CtHH """, ) @@ -26138,18 +17897,11 @@ index = 1312, label = "C4H5-12 + C10H12-3 <=> C14H17-32", degeneracy = 2.0, - kinetics = Arrhenius( - A = (11160, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (29.3298, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(11160,'cm^3/(mol*s)'), n=2.41, Ea=(29.3298,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdCd;CsJ-CtCsH """, ) @@ -26158,18 +17910,11 @@ index = 1313, label = "C5H7-5 + C10H12-3 <=> C15H19-28", degeneracy = 2.0, - kinetics = Arrhenius( - A = (2840, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (26.4847, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2840,'cm^3/(mol*s)'), n=2.41, Ea=(26.4847,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdCd;CsJ-CtCsCs """, ) @@ -26178,18 +17923,11 @@ index = 1314, label = "C2H3 + C10H12-3 <=> C12H15-34", degeneracy = 2.0, - kinetics = Arrhenius( - A = (75000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-0.33472, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(75000,'cm^3/(mol*s)'), n=2.41, Ea=(-0.33472,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdCd;CdsJ-H """, ) @@ -26198,18 +17936,11 @@ index = 1315, label = "C3H5 + C10H12-3 <=> C13H17-38", degeneracy = 2.0, - kinetics = Arrhenius( - A = (39800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-1.21336, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(39800,'cm^3/(mol*s)'), n=2.41, Ea=(-1.21336,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdCd;CdsJ-Cs """, ) @@ -26218,18 +17949,11 @@ index = 1316, label = "C10H12-3 + C6H5 <=> C16H17-6", degeneracy = 2.0, - kinetics = Arrhenius( - A = (118400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-10.2926, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(118400,'cm^3/(mol*s)'), n=2.41, Ea=(-10.2926,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdCd;CbJ """, ) @@ -26238,18 +17962,11 @@ index = 1317, label = "CH3 + C12H12 <=> C13H15-27", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5170, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (28.5767, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5170,'cm^3/(mol*s)'), n=2.41, Ea=(28.5767,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CbH;CsJ-HHH """, ) @@ -26258,18 +17975,11 @@ index = 1318, label = "C12H12 + C2H5 <=> C14H17-33", degeneracy = 1.0, - kinetics = Arrhenius( - A = (525, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (26.1918, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(525,'cm^3/(mol*s)'), n=2.41, Ea=(26.1918,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CbH;CsJ-CsHH """, ) @@ -26278,18 +17988,11 @@ index = 1319, label = "C12H12 + C3H7-2 <=> C15H19-29", degeneracy = 1.0, - kinetics = Arrhenius( - A = (421, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (21.171, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(421,'cm^3/(mol*s)'), n=2.41, Ea=(21.171,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CbH;CsJ-CsCsH """, ) @@ -26298,18 +18001,11 @@ index = 1320, label = "C12H12 + C4H9 <=> C16H21-17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (312, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (15.2716, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(312,'cm^3/(mol*s)'), n=2.41, Ea=(15.2716,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CbH;CsJ-CsCsCs """, ) @@ -26318,18 +18014,11 @@ index = 1321, label = "C12H12 + allyl <=> C15H17-14", degeneracy = 2.0, - kinetics = Arrhenius( - A = (10900, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (54.8941, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(10900,'cm^3/(mol*s)'), n=2.41, Ea=(54.8941,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CbH;CsJ-CdHH """, ) @@ -26338,18 +18027,11 @@ index = 1322, label = "C12H12 + C4H7-2 <=> C16H19-14", degeneracy = 1.0, - kinetics = Arrhenius( - A = (950, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (53.8899, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(950,'cm^3/(mol*s)'), n=2.41, Ea=(53.8899,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CbH;CsJ-CdCsH """, ) @@ -26358,18 +18040,11 @@ index = 1323, label = "C5H9 + C12H12 <=> C17H21-10", degeneracy = 1.0, - kinetics = Arrhenius( - A = (123, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (49.7896, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(123,'cm^3/(mol*s)'), n=2.41, Ea=(49.7896,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CbH;CsJ-CdCsCs """, ) @@ -26378,18 +18053,11 @@ index = 1324, label = "C5H7-3 + C12H12 <=> C17H19-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1920, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (73.8894, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1920,'cm^3/(mol*s)'), n=2.41, Ea=(73.8894,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CbH;CsJ-CdCdH """, ) @@ -26398,18 +18066,11 @@ index = 1325, label = "C12H12 + C6H9-12 <=> C18H21-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (654, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (73.1363, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(654,'cm^3/(mol*s)'), n=2.41, Ea=(73.1363,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CbH;CsJ-CdCdCs """, ) @@ -26418,18 +18079,11 @@ index = 1326, label = "C12H12 + C7H7-3 <=> C19H19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2530, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (45.1454, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2530,'cm^3/(mol*s)'), n=2.41, Ea=(45.1454,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CbH;CsJ-CbHH """, ) @@ -26438,18 +18092,11 @@ index = 1327, label = "C12H12 + C8H9 <=> C20H21", degeneracy = 1.0, - kinetics = Arrhenius( - A = (622, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (42.2584, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(622,'cm^3/(mol*s)'), n=2.41, Ea=(42.2584,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CbH;CsJ-CbCsH """, ) @@ -26458,18 +18105,11 @@ index = 1328, label = "C12H12 + C9H11-15 <=> C21H23", degeneracy = 1.0, - kinetics = Arrhenius( - A = (99.5, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (39.999, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(99.5,'cm^3/(mol*s)'), n=2.41, Ea=(39.999,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CbH;CsJ-CbCsCs """, ) @@ -26478,18 +18118,11 @@ index = 1329, label = "C3H3 + C12H12 <=> C15H15-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2340, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (44.1412, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2340,'cm^3/(mol*s)'), n=2.41, Ea=(44.1412,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CbH;CsJ-CtHH """, ) @@ -26498,18 +18131,11 @@ index = 1330, label = "C4H5-12 + C12H12 <=> C16H17-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (527, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (42.1747, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(527,'cm^3/(mol*s)'), n=2.41, Ea=(42.1747,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CbH;CsJ-CtCsH """, ) @@ -26518,18 +18144,11 @@ index = 1331, label = "C5H7-5 + C12H12 <=> C17H19-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (134, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (39.3296, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(134,'cm^3/(mol*s)'), n=2.41, Ea=(39.3296,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CbH;CsJ-CtCsCs """, ) @@ -26538,18 +18157,11 @@ index = 1332, label = "C2H3 + C12H12 <=> C14H15-10", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3540, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (12.552, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3540,'cm^3/(mol*s)'), n=2.41, Ea=(12.552,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CbH;CdsJ-H """, ) @@ -26558,18 +18170,11 @@ index = 1333, label = "C3H5 + C12H12 <=> C15H17-15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1870, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (11.6315, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1870,'cm^3/(mol*s)'), n=2.41, Ea=(11.6315,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CbH;CdsJ-Cs """, ) @@ -26578,18 +18183,11 @@ index = 1334, label = "C12H12 + C6H5 <=> C18H17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5590, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (2.55224, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5590,'cm^3/(mol*s)'), n=2.41, Ea=(2.55224,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CbH;CbJ """, ) @@ -26598,18 +18196,11 @@ index = 1335, label = "CH3 + C13H14 <=> C14H17-34", degeneracy = 1.0, - kinetics = Arrhenius( - A = (11000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (27.9073, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(11000,'cm^3/(mol*s)'), n=2.41, Ea=(27.9073,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CbCs;CsJ-HHH """, ) @@ -26618,18 +18209,11 @@ index = 1336, label = "C13H14 + C2H5 <=> C15H19-30", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1110, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (25.5224, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1110,'cm^3/(mol*s)'), n=2.41, Ea=(25.5224,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CbCs;CsJ-CsHH """, ) @@ -26638,18 +18222,11 @@ index = 1337, label = "C13H14 + C3H7-2 <=> C16H21-18", degeneracy = 1.0, - kinetics = Arrhenius( - A = (893, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (20.5016, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(893,'cm^3/(mol*s)'), n=2.41, Ea=(20.5016,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CbCs;CsJ-CsCsH """, ) @@ -26658,18 +18235,11 @@ index = 1338, label = "C13H14 + C4H9 <=> C17H23-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (661, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (14.6022, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(661,'cm^3/(mol*s)'), n=2.41, Ea=(14.6022,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CbCs;CsJ-CsCsCs """, ) @@ -26678,18 +18248,11 @@ index = 1339, label = "C13H14 + allyl <=> C16H19-15", degeneracy = 2.0, - kinetics = Arrhenius( - A = (23200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (54.2246, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(23200,'cm^3/(mol*s)'), n=2.41, Ea=(54.2246,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CbCs;CsJ-CdHH """, ) @@ -26698,18 +18261,11 @@ index = 1340, label = "C4H7-2 + C13H14 <=> C17H21-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2010, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (53.2205, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2010,'cm^3/(mol*s)'), n=2.41, Ea=(53.2205,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CbCs;CsJ-CdCsH """, ) @@ -26718,18 +18274,11 @@ index = 1341, label = "C13H14 + C5H9 <=> C18H23-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (261, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (49.1202, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(261,'cm^3/(mol*s)'), n=2.41, Ea=(49.1202,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CbCs;CsJ-CdCsCs """, ) @@ -26738,18 +18287,11 @@ index = 1342, label = "C13H14 + C5H7-3 <=> C18H21-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4060, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (73.22, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4060,'cm^3/(mol*s)'), n=2.41, Ea=(73.22,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CbCs;CsJ-CdCdH """, ) @@ -26758,18 +18300,11 @@ index = 1343, label = "C6H9-12 + C13H14 <=> C19H23-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1390, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (72.4669, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1390,'cm^3/(mol*s)'), n=2.41, Ea=(72.4669,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CbCs;CsJ-CdCdCs """, ) @@ -26778,18 +18313,11 @@ index = 1344, label = "C13H14 + C7H7-3 <=> C20H21-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5360, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (44.4759, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5360,'cm^3/(mol*s)'), n=2.41, Ea=(44.4759,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CbCs;CsJ-CbHH """, ) @@ -26798,18 +18326,11 @@ index = 1345, label = "C13H14 + C8H9 <=> C21H23-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1320, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (41.589, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1320,'cm^3/(mol*s)'), n=2.41, Ea=(41.589,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CbCs;CsJ-CbCsH """, ) @@ -26818,18 +18339,11 @@ index = 1346, label = "C13H14 + C9H11-15 <=> C22H25", degeneracy = 1.0, - kinetics = Arrhenius( - A = (211, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (39.3296, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(211,'cm^3/(mol*s)'), n=2.41, Ea=(39.3296,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CbCs;CsJ-CbCsCs """, ) @@ -26838,18 +18352,11 @@ index = 1347, label = "C3H3 + C13H14 <=> C16H17-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4960, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.4718, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4960,'cm^3/(mol*s)'), n=2.41, Ea=(43.4718,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CbCs;CsJ-CtHH """, ) @@ -26858,18 +18365,11 @@ index = 1348, label = "C4H5-12 + C13H14 <=> C17H19-10", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1120, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (41.5053, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1120,'cm^3/(mol*s)'), n=2.41, Ea=(41.5053,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CbCs;CsJ-CtCsH """, ) @@ -26878,18 +18378,11 @@ index = 1349, label = "C5H7-5 + C13H14 <=> C18H21-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (285, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (38.6602, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(285,'cm^3/(mol*s)'), n=2.41, Ea=(38.6602,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CbCs;CsJ-CtCsCs """, ) @@ -26898,18 +18391,11 @@ index = 1350, label = "C2H3 + C13H14 <=> C15H17-16", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7500, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (11.8826, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7500,'cm^3/(mol*s)'), n=2.41, Ea=(11.8826,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CbCs;CdsJ-H """, ) @@ -26918,18 +18404,11 @@ index = 1351, label = "C3H5 + C13H14 <=> C16H19-16", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3980, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (10.9621, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3980,'cm^3/(mol*s)'), n=2.41, Ea=(10.9621,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CbCs;CdsJ-Cs """, ) @@ -26938,18 +18417,11 @@ index = 1352, label = "C13H14 + C6H5 <=> C19H19-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (11800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (1.8828, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(11800,'cm^3/(mol*s)'), n=2.41, Ea=(1.8828,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CbCs;CbJ """, ) @@ -26958,18 +18430,11 @@ index = 1353, label = "C8H8-4 + CH3 <=> C9H11-31", degeneracy = 1.0, - kinetics = Arrhenius( - A = (20500, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (20.5853, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(20500,'cm^3/(mol*s)'), n=2.41, Ea=(20.5853,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CtH;CsJ-HHH """, ) @@ -26978,18 +18443,11 @@ index = 1354, label = "C8H8-4 + C2H5 <=> C10H13-36", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2080, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (18.2004, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2080,'cm^3/(mol*s)'), n=2.41, Ea=(18.2004,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CtH;CsJ-CsHH """, ) @@ -26998,18 +18456,11 @@ index = 1355, label = "C8H8-4 + C3H7-2 <=> C11H15-49", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1670, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (13.1796, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1670,'cm^3/(mol*s)'), n=2.41, Ea=(13.1796,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CtH;CsJ-CsCsH """, ) @@ -27018,18 +18469,11 @@ index = 1356, label = "C8H8-4 + C4H9 <=> C12H17-44", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1240, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (7.28016, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1240,'cm^3/(mol*s)'), n=2.41, Ea=(7.28016,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CtH;CsJ-CsCsCs """, ) @@ -27038,18 +18482,11 @@ index = 1357, label = "C8H8-4 + allyl <=> C11H13-22", degeneracy = 2.0, - kinetics = Arrhenius( - A = (43400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (46.9026, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(43400,'cm^3/(mol*s)'), n=2.41, Ea=(46.9026,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CtH;CsJ-CdHH """, ) @@ -27058,18 +18495,11 @@ index = 1358, label = "C8H8-4 + C4H7-2 <=> C12H15-35", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3770, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (45.8985, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3770,'cm^3/(mol*s)'), n=2.41, Ea=(45.8985,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CtH;CsJ-CdCsH """, ) @@ -27078,18 +18508,11 @@ index = 1359, label = "C8H8-4 + C5H9 <=> C13H17-39", degeneracy = 1.0, - kinetics = Arrhenius( - A = (488, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (41.84, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(488,'cm^3/(mol*s)'), n=2.41, Ea=(41.84,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CtH;CsJ-CdCsCs """, ) @@ -27098,18 +18521,11 @@ index = 1360, label = "C8H8-4 + C5H7-3 <=> C13H15-28", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7610, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (65.898, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7610,'cm^3/(mol*s)'), n=2.41, Ea=(65.898,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CtH;CsJ-CdCdH """, ) @@ -27118,18 +18534,11 @@ index = 1361, label = "C8H8-4 + C6H9-12 <=> C14H17-35", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (65.1449, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2600,'cm^3/(mol*s)'), n=2.41, Ea=(65.1449,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CtH;CsJ-CdCdCs """, ) @@ -27138,18 +18547,11 @@ index = 1362, label = "C8H8-4 + C7H7-3 <=> C15H15-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (10000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (37.1539, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(10000,'cm^3/(mol*s)'), n=2.41, Ea=(37.1539,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CtH;CsJ-CbHH """, ) @@ -27158,18 +18560,11 @@ index = 1363, label = "C8H8-4 + C8H9 <=> C16H17-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2470, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (34.267, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2470,'cm^3/(mol*s)'), n=2.41, Ea=(34.267,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CtH;CsJ-CbCsH """, ) @@ -27178,18 +18573,11 @@ index = 1364, label = "C8H8-4 + C9H11-15 <=> C17H19-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (395, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (32.0076, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(395,'cm^3/(mol*s)'), n=2.41, Ea=(32.0076,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CtH;CsJ-CbCsCs """, ) @@ -27198,18 +18586,11 @@ index = 1365, label = "C8H8-4 + C3H3 <=> C11H11-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9280, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (36.1498, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9280,'cm^3/(mol*s)'), n=2.41, Ea=(36.1498,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CtH;CsJ-CtHH """, ) @@ -27218,18 +18599,11 @@ index = 1366, label = "C8H8-4 + C4H5-12 <=> C12H13-15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2090, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (34.1833, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2090,'cm^3/(mol*s)'), n=2.41, Ea=(34.1833,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CtH;CsJ-CtCsH """, ) @@ -27238,18 +18612,11 @@ index = 1367, label = "C8H8-4 + C5H7-5 <=> C13H15-29", degeneracy = 1.0, - kinetics = Arrhenius( - A = (534, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (31.3382, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(534,'cm^3/(mol*s)'), n=2.41, Ea=(31.3382,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CtH;CsJ-CtCsCs """, ) @@ -27258,18 +18625,11 @@ index = 1368, label = "C8H8-4 + C2H3 <=> C10H11-31", degeneracy = 1.0, - kinetics = Arrhenius( - A = (14000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (4.56056, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(14000,'cm^3/(mol*s)'), n=2.41, Ea=(4.56056,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CtH;CdsJ-H """, ) @@ -27278,18 +18638,11 @@ index = 1369, label = "C8H8-4 + C3H5 <=> C11H13-23", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7440, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (3.68192, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7440,'cm^3/(mol*s)'), n=2.41, Ea=(3.68192,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CtH;CdsJ-Cs """, ) @@ -27298,18 +18651,11 @@ index = 1370, label = "C8H8-4 + C6H5 <=> C14H13-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (22200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-5.4392, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(22200,'cm^3/(mol*s)'), n=2.41, Ea=(-5.4392,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CtH;CbJ """, ) @@ -27318,18 +18664,11 @@ index = 1371, label = "C9H10-11 + CH3 <=> C10H13-37", degeneracy = 1.0, - kinetics = Arrhenius( - A = (21000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (20.2087, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(21000,'cm^3/(mol*s)'), n=2.41, Ea=(20.2087,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CtCs;CsJ-HHH """, ) @@ -27338,18 +18677,11 @@ index = 1372, label = "C9H10-11 + C2H5 <=> C11H15-50", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2130, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (17.8238, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2130,'cm^3/(mol*s)'), n=2.41, Ea=(17.8238,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CtCs;CsJ-CsHH """, ) @@ -27358,18 +18690,11 @@ index = 1373, label = "C9H10-11 + C3H7-2 <=> C12H17-45", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1710, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (12.8449, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1710,'cm^3/(mol*s)'), n=2.41, Ea=(12.8449,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CtCs;CsJ-CsCsH """, ) @@ -27378,18 +18703,11 @@ index = 1374, label = "C9H10-11 + C4H9 <=> C13H19-29", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1270, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (6.94544, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1270,'cm^3/(mol*s)'), n=2.41, Ea=(6.94544,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CtCs;CsJ-CsCsCs """, ) @@ -27398,18 +18716,11 @@ index = 1375, label = "C9H10-11 + allyl <=> C12H15-36", degeneracy = 2.0, - kinetics = Arrhenius( - A = (44400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (46.5261, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(44400,'cm^3/(mol*s)'), n=2.41, Ea=(46.5261,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CtCs;CsJ-CdHH """, ) @@ -27418,18 +18729,11 @@ index = 1376, label = "C9H10-11 + C4H7-2 <=> C13H17-40", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3860, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (45.5219, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3860,'cm^3/(mol*s)'), n=2.41, Ea=(45.5219,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CtCs;CsJ-CdCsH """, ) @@ -27438,18 +18742,11 @@ index = 1377, label = "C9H10-11 + C5H9 <=> C14H19-30", degeneracy = 1.0, - kinetics = Arrhenius( - A = (499, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (41.4634, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(499,'cm^3/(mol*s)'), n=2.41, Ea=(41.4634,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CtCs;CsJ-CdCsCs """, ) @@ -27458,18 +18755,11 @@ index = 1378, label = "C9H10-11 + C5H7-3 <=> C14H17-36", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7790, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (65.5633, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7790,'cm^3/(mol*s)'), n=2.41, Ea=(65.5633,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CtCs;CsJ-CdCdH """, ) @@ -27478,18 +18768,11 @@ index = 1379, label = "C9H10-11 + C6H9-12 <=> C15H19-31", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2660, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (64.8102, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2660,'cm^3/(mol*s)'), n=2.41, Ea=(64.8102,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CtCs;CsJ-CdCdCs """, ) @@ -27498,18 +18781,11 @@ index = 1380, label = "C9H10-11 + C7H7-3 <=> C16H17-10", degeneracy = 1.0, - kinetics = Arrhenius( - A = (10300, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (36.8192, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(10300,'cm^3/(mol*s)'), n=2.41, Ea=(36.8192,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CtCs;CsJ-CbHH """, ) @@ -27518,18 +18794,11 @@ index = 1381, label = "C9H10-11 + C8H9 <=> C17H19-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2530, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (33.8904, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2530,'cm^3/(mol*s)'), n=2.41, Ea=(33.8904,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CtCs;CsJ-CbCsH """, ) @@ -27538,18 +18807,11 @@ index = 1382, label = "C9H10-11 + C9H11-15 <=> C18H21-10", degeneracy = 1.0, - kinetics = Arrhenius( - A = (405, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (31.631, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(405,'cm^3/(mol*s)'), n=2.41, Ea=(31.631,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CtCs;CsJ-CbCsCs """, ) @@ -27558,18 +18820,11 @@ index = 1383, label = "C3H3 + C9H10-11 <=> C12H13-16", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9500, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (35.7732, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9500,'cm^3/(mol*s)'), n=2.41, Ea=(35.7732,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CtCs;CsJ-CtHH """, ) @@ -27578,18 +18833,11 @@ index = 1384, label = "C9H10-11 + C4H5-12 <=> C13H15-30", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2140, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (33.8486, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2140,'cm^3/(mol*s)'), n=2.41, Ea=(33.8486,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CtCs;CsJ-CtCsH """, ) @@ -27598,18 +18846,11 @@ index = 1385, label = "C5H7-5 + C9H10-11 <=> C14H17-37", degeneracy = 1.0, - kinetics = Arrhenius( - A = (547, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (31.0034, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(547,'cm^3/(mol*s)'), n=2.41, Ea=(31.0034,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CtCs;CsJ-CtCsCs """, ) @@ -27618,18 +18859,11 @@ index = 1386, label = "C9H10-11 + C2H3 <=> C11H13-24", degeneracy = 1.0, - kinetics = Arrhenius( - A = (14400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (4.184, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(14400,'cm^3/(mol*s)'), n=2.41, Ea=(4.184,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CtCs;CdsJ-H """, ) @@ -27638,18 +18872,11 @@ index = 1387, label = "C9H10-11 + C3H5 <=> C12H15-37", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7620, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (3.30536, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7620,'cm^3/(mol*s)'), n=2.41, Ea=(3.30536,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CtCs;CdsJ-Cs """, ) @@ -27658,18 +18885,11 @@ index = 1388, label = "C9H10-11 + C6H5 <=> C15H15-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (22700, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-5.77392, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(22700,'cm^3/(mol*s)'), n=2.41, Ea=(-5.77392,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CtCs;CbJ """, ) @@ -27678,18 +18898,11 @@ index = 1389, label = "CH3 + C7H8-18 <=> C8H11-27", degeneracy = 1.0, - kinetics = Arrhenius( - A = (15200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (36.61, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(15200,'cm^3/(mol*s)'), n=2.41, Ea=(36.61,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Ca;CsJ-HHH """, ) @@ -27698,18 +18911,11 @@ index = 1390, label = "C7H8-18 + C2H5 <=> C9H13-44", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1540, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (34.2251, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1540,'cm^3/(mol*s)'), n=2.41, Ea=(34.2251,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Ca;CsJ-CsHH """, ) @@ -27718,18 +18924,11 @@ index = 1391, label = "C7H8-18 + C3H7-2 <=> C10H15-50", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1240, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (29.2043, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1240,'cm^3/(mol*s)'), n=2.41, Ea=(29.2043,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Ca;CsJ-CsCsH """, ) @@ -27738,18 +18937,11 @@ index = 1392, label = "C7H8-18 + C4H9 <=> C11H17-40", degeneracy = 1.0, - kinetics = Arrhenius( - A = (915, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (23.3049, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(915,'cm^3/(mol*s)'), n=2.41, Ea=(23.3049,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Ca;CsJ-CsCsCs """, ) @@ -27758,18 +18950,11 @@ index = 1393, label = "C7H8-18 + allyl <=> C10H13-38", degeneracy = 2.0, - kinetics = Arrhenius( - A = (32000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (62.9274, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(32000,'cm^3/(mol*s)'), n=2.41, Ea=(62.9274,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Ca;CsJ-CdHH """, ) @@ -27778,18 +18963,11 @@ index = 1394, label = "C7H8-18 + C4H7-2 <=> C11H15-51", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2790, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (61.9232, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2790,'cm^3/(mol*s)'), n=2.41, Ea=(61.9232,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Ca;CsJ-CdCsH """, ) @@ -27798,18 +18976,11 @@ index = 1395, label = "C7H8-18 + C5H9 <=> C12H17-46", degeneracy = 1.0, - kinetics = Arrhenius( - A = (360, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (57.8229, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(360,'cm^3/(mol*s)'), n=2.41, Ea=(57.8229,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Ca;CsJ-CdCsCs """, ) @@ -27818,18 +18989,11 @@ index = 1396, label = "C7H8-18 + C5H7-3 <=> C12H15-38", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5620, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (81.9227, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5620,'cm^3/(mol*s)'), n=2.41, Ea=(81.9227,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Ca;CsJ-CdCdH """, ) @@ -27838,18 +19002,11 @@ index = 1397, label = "C7H8-18 + C6H9-12 <=> C13H17-41", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1920, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (81.1696, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1920,'cm^3/(mol*s)'), n=2.41, Ea=(81.1696,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Ca;CsJ-CdCdCs """, ) @@ -27858,18 +19015,11 @@ index = 1398, label = "C7H8-18 + C7H7-3 <=> C14H15-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7420, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (53.1786, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7420,'cm^3/(mol*s)'), n=2.41, Ea=(53.1786,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Ca;CsJ-CbHH """, ) @@ -27878,18 +19028,11 @@ index = 1399, label = "C7H8-18 + C8H9 <=> C15H17-17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1820, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (50.2917, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1820,'cm^3/(mol*s)'), n=2.41, Ea=(50.2917,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Ca;CsJ-CbCsH """, ) @@ -27898,18 +19041,11 @@ index = 1400, label = "C7H8-18 + C9H11-15 <=> C16H19-17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (292, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (48.0323, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(292,'cm^3/(mol*s)'), n=2.41, Ea=(48.0323,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Ca;CsJ-CbCsCs """, ) @@ -27918,18 +19054,11 @@ index = 1401, label = "C3H3 + C7H8-18 <=> C10H11-32", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6860, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (52.1745, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6860,'cm^3/(mol*s)'), n=2.41, Ea=(52.1745,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Ca;CsJ-CtHH """, ) @@ -27938,18 +19067,11 @@ index = 1402, label = "C4H5-12 + C7H8-18 <=> C11H13-25", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1550, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (50.208, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1550,'cm^3/(mol*s)'), n=2.41, Ea=(50.208,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Ca;CsJ-CtCsH """, ) @@ -27958,18 +19080,11 @@ index = 1403, label = "C5H7-5 + C7H8-18 <=> C12H15-39", degeneracy = 1.0, - kinetics = Arrhenius( - A = (394, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (47.3629, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(394,'cm^3/(mol*s)'), n=2.41, Ea=(47.3629,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Ca;CsJ-CtCsCs """, ) @@ -27978,18 +19093,11 @@ index = 1404, label = "C2H3 + C7H8-18 <=> C9H11-32", degeneracy = 1.0, - kinetics = Arrhenius( - A = (10400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (20.5853, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(10400,'cm^3/(mol*s)'), n=2.41, Ea=(20.5853,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Ca;CdsJ-H """, ) @@ -27998,18 +19106,11 @@ index = 1405, label = "C7H8-18 + C3H5 <=> C10H13-39", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5500, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (19.6648, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5500,'cm^3/(mol*s)'), n=2.41, Ea=(19.6648,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Ca;CdsJ-Cs """, ) @@ -28018,18 +19119,11 @@ index = 1406, label = "C7H8-18 + C6H5 <=> C13H13-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (16400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (10.5855, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(16400,'cm^3/(mol*s)'), n=2.41, Ea=(10.5855,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Ca;CbJ """, ) @@ -28038,18 +19132,11 @@ index = 1407, label = "CH3 + C8H8-2 <=> C9H11-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3750, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (35.7314, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3750,'cm^3/(mol*s)'), n=2.41, Ea=(35.7314,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-HH;CsJ-HHH """, ) @@ -28058,18 +19145,11 @@ index = 1408, label = "C8H8-2 + C2H5 <=> C10H13-40", degeneracy = 1.0, - kinetics = Arrhenius( - A = (380, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (33.3465, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(380,'cm^3/(mol*s)'), n=2.41, Ea=(33.3465,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-HH;CsJ-CsHH """, ) @@ -28078,18 +19158,11 @@ index = 1409, label = "C8H8-2 + C3H7-2 <=> C11H15-52", degeneracy = 1.0, - kinetics = Arrhenius( - A = (305, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (28.3675, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(305,'cm^3/(mol*s)'), n=2.41, Ea=(28.3675,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-HH;CsJ-CsCsH """, ) @@ -28098,18 +19171,11 @@ index = 1410, label = "C8H8-2 + C4H9 <=> C12H17-47", degeneracy = 1.0, - kinetics = Arrhenius( - A = (226, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (22.4262, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(226,'cm^3/(mol*s)'), n=2.41, Ea=(22.4262,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-HH;CsJ-CsCsCs """, ) @@ -28118,18 +19184,11 @@ index = 1411, label = "allyl + C8H8-2 <=> C11H13-26", degeneracy = 2.0, - kinetics = Arrhenius( - A = (7900, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (62.0487, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7900,'cm^3/(mol*s)'), n=2.41, Ea=(62.0487,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-HH;CsJ-CdHH """, ) @@ -28138,18 +19197,11 @@ index = 1412, label = "C4H7-2 + C8H8-2 <=> C12H15-40", degeneracy = 1.0, - kinetics = Arrhenius( - A = (688, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (61.0446, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(688,'cm^3/(mol*s)'), n=2.41, Ea=(61.0446,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-HH;CsJ-CdCsH """, ) @@ -28158,18 +19210,11 @@ index = 1413, label = "C5H9 + C8H8-2 <=> C13H17-42", degeneracy = 1.0, - kinetics = Arrhenius( - A = (89, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (56.9861, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(89,'cm^3/(mol*s)'), n=2.41, Ea=(56.9861,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-HH;CsJ-CdCsCs """, ) @@ -28178,18 +19223,11 @@ index = 1414, label = "C5H7-3 + C8H8-2 <=> C13H15-31", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1390, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (81.0441, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1390,'cm^3/(mol*s)'), n=2.41, Ea=(81.0441,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-HH;CsJ-CdCdH """, ) @@ -28198,18 +19236,11 @@ index = 1415, label = "C6H9-12 + C8H8-2 <=> C14H17-38", degeneracy = 1.0, - kinetics = Arrhenius( - A = (474, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (80.291, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(474,'cm^3/(mol*s)'), n=2.41, Ea=(80.291,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-HH;CsJ-CdCdCs """, ) @@ -28218,18 +19249,11 @@ index = 1416, label = "C8H8-2 + C7H7-3 <=> C15H15-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1830, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (52.3, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1830,'cm^3/(mol*s)'), n=2.41, Ea=(52.3,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-HH;CsJ-CbHH """, ) @@ -28238,18 +19262,11 @@ index = 1417, label = "C8H8-2 + C8H9 <=> C16H17-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (451, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (49.413, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(451,'cm^3/(mol*s)'), n=2.41, Ea=(49.413,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-HH;CsJ-CbCsH """, ) @@ -28258,18 +19275,11 @@ index = 1418, label = "C8H8-2 + C9H11-15 <=> C17H19-13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (72.1, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (47.1537, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(72.1,'cm^3/(mol*s)'), n=2.41, Ea=(47.1537,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-HH;CsJ-CbCsCs """, ) @@ -28278,18 +19288,11 @@ index = 1419, label = "C3H3 + C8H8-2 <=> C11H11-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1690, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (51.2958, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1690,'cm^3/(mol*s)'), n=2.41, Ea=(51.2958,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-HH;CsJ-CtHH """, ) @@ -28298,18 +19301,11 @@ index = 1420, label = "C4H5-12 + C8H8-2 <=> C12H13-17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (382, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (49.3294, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(382,'cm^3/(mol*s)'), n=2.41, Ea=(49.3294,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-HH;CsJ-CtCsH """, ) @@ -28318,18 +19314,11 @@ index = 1421, label = "C5H7-5 + C8H8-2 <=> C13H15-32", degeneracy = 1.0, - kinetics = Arrhenius( - A = (97.5, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (46.4842, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(97.5,'cm^3/(mol*s)'), n=2.41, Ea=(46.4842,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-HH;CsJ-CtCsCs """, ) @@ -28338,18 +19327,11 @@ index = 1422, label = "C2H3 + C8H8-2 <=> C10H11-33", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2560, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (19.7066, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2560,'cm^3/(mol*s)'), n=2.41, Ea=(19.7066,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-HH;CdsJ-H """, ) @@ -28358,18 +19340,11 @@ index = 1423, label = "C3H5 + C8H8-2 <=> C11H13-27", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1360, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (18.828, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1360,'cm^3/(mol*s)'), n=2.41, Ea=(18.828,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-HH;CdsJ-Cs """, ) @@ -28378,18 +19353,11 @@ index = 1424, label = "C8H8-2 + C6H5 <=> C14H13-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4050, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (9.70688, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4050,'cm^3/(mol*s)'), n=2.41, Ea=(9.70688,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-HH;CbJ """, ) @@ -28398,18 +19366,11 @@ index = 1425, label = "CH3 + C9H10-2 <=> C10H13-41", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3760, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (34.4343, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3760,'cm^3/(mol*s)'), n=2.41, Ea=(34.4343,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CsH;CsJ-HHH """, ) @@ -28418,18 +19379,11 @@ index = 1426, label = "C2H5 + C9H10-2 <=> C11H15-53", degeneracy = 1.0, - kinetics = Arrhenius( - A = (382, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (32.0494, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(382,'cm^3/(mol*s)'), n=2.41, Ea=(32.0494,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CsH;CsJ-CsHH """, ) @@ -28438,18 +19392,11 @@ index = 1427, label = "C9H10-2 + C3H7-2 <=> C12H17-48", degeneracy = 1.0, - kinetics = Arrhenius( - A = (306, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (27.0286, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(306,'cm^3/(mol*s)'), n=2.41, Ea=(27.0286,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CsH;CsJ-CsCsH """, ) @@ -28458,18 +19405,11 @@ index = 1428, label = "C9H10-2 + C4H9 <=> C13H19-30", degeneracy = 1.0, - kinetics = Arrhenius( - A = (227, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (21.1292, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(227,'cm^3/(mol*s)'), n=2.41, Ea=(21.1292,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CsH;CsJ-CsCsCs """, ) @@ -28478,18 +19418,11 @@ index = 1429, label = "allyl + C9H10-2 <=> C12H15-41", degeneracy = 2.0, - kinetics = Arrhenius( - A = (7940, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (60.7517, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7940,'cm^3/(mol*s)'), n=2.41, Ea=(60.7517,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CsH;CsJ-CdHH """, ) @@ -28498,18 +19431,11 @@ index = 1430, label = "C4H7-2 + C9H10-2 <=> C13H17-43", degeneracy = 1.0, - kinetics = Arrhenius( - A = (691, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (59.7475, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(691,'cm^3/(mol*s)'), n=2.41, Ea=(59.7475,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CsH;CsJ-CdCsH """, ) @@ -28518,18 +19444,11 @@ index = 1431, label = "C5H9 + C9H10-2 <=> C14H19-31", degeneracy = 1.0, - kinetics = Arrhenius( - A = (89.4, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (55.6472, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(89.4,'cm^3/(mol*s)'), n=2.41, Ea=(55.6472,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CsH;CsJ-CdCsCs """, ) @@ -28538,18 +19457,11 @@ index = 1432, label = "C5H7-3 + C9H10-2 <=> C14H17-39", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1390, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (79.747, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1390,'cm^3/(mol*s)'), n=2.41, Ea=(79.747,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CsH;CsJ-CdCdH """, ) @@ -28558,18 +19470,11 @@ index = 1433, label = "C6H9-12 + C9H10-2 <=> C15H19-32", degeneracy = 1.0, - kinetics = Arrhenius( - A = (476, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (78.9939, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(476,'cm^3/(mol*s)'), n=2.41, Ea=(78.9939,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CsH;CsJ-CdCdCs """, ) @@ -28578,18 +19483,11 @@ index = 1434, label = "C7H7-3 + C9H10-2 <=> C16H17-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1840, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (51.003, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1840,'cm^3/(mol*s)'), n=2.41, Ea=(51.003,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CsH;CsJ-CbHH """, ) @@ -28598,18 +19496,11 @@ index = 1435, label = "C8H9 + C9H10-2 <=> C17H19-14", degeneracy = 1.0, - kinetics = Arrhenius( - A = (453, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (48.116, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(453,'cm^3/(mol*s)'), n=2.41, Ea=(48.116,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CsH;CsJ-CbCsH """, ) @@ -28618,18 +19509,11 @@ index = 1436, label = "C9H10-2 + C9H11-15 <=> C18H21-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (72.4, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (45.8566, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(72.4,'cm^3/(mol*s)'), n=2.41, Ea=(45.8566,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CsH;CsJ-CbCsCs """, ) @@ -28638,18 +19522,11 @@ index = 1437, label = "C3H3 + C9H10-2 <=> C12H13-18", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1700, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (49.9988, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1700,'cm^3/(mol*s)'), n=2.41, Ea=(49.9988,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CsH;CsJ-CtHH """, ) @@ -28658,18 +19535,11 @@ index = 1438, label = "C4H5-12 + C9H10-2 <=> C13H15-33", degeneracy = 1.0, - kinetics = Arrhenius( - A = (384, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (48.0323, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(384,'cm^3/(mol*s)'), n=2.41, Ea=(48.0323,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CsH;CsJ-CtCsH """, ) @@ -28678,18 +19548,11 @@ index = 1439, label = "C5H7-5 + C9H10-2 <=> C14H17-40", degeneracy = 1.0, - kinetics = Arrhenius( - A = (97.9, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (45.1872, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(97.9,'cm^3/(mol*s)'), n=2.41, Ea=(45.1872,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CsH;CsJ-CtCsCs """, ) @@ -28698,18 +19561,11 @@ index = 1440, label = "C2H3 + C9H10-2 <=> C11H13-28", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2570, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (18.4096, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2570,'cm^3/(mol*s)'), n=2.41, Ea=(18.4096,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CsH;CdsJ-H """, ) @@ -28718,18 +19574,11 @@ index = 1441, label = "C3H5 + C9H10-2 <=> C12H15-42", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1360, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (17.4891, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1360,'cm^3/(mol*s)'), n=2.41, Ea=(17.4891,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CsH;CdsJ-Cs """, ) @@ -28738,18 +19587,11 @@ index = 1442, label = "C6H5 + C9H10-2 <=> C15H15-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4060, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (8.40984, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4060,'cm^3/(mol*s)'), n=2.41, Ea=(8.40984,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CsH;CbJ """, ) @@ -28758,18 +19600,11 @@ index = 1443, label = "CH3 + C10H12-4 <=> C11H15-54", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4730, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (32.8026, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4730,'cm^3/(mol*s)'), n=2.41, Ea=(32.8026,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CsCs;CsJ-HHH """, ) @@ -28778,18 +19613,11 @@ index = 1444, label = "C2H5 + C10H12-4 <=> C12H17-49", degeneracy = 1.0, - kinetics = Arrhenius( - A = (481, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (30.4177, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(481,'cm^3/(mol*s)'), n=2.41, Ea=(30.4177,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CsCs;CsJ-CsHH """, ) @@ -28798,18 +19626,11 @@ index = 1445, label = "C10H12-4 + C3H7-2 <=> C13H19-31", degeneracy = 1.0, - kinetics = Arrhenius( - A = (386, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (25.4387, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(386,'cm^3/(mol*s)'), n=2.41, Ea=(25.4387,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CsCs;CsJ-CsCsH """, ) @@ -28818,18 +19639,11 @@ index = 1446, label = "C10H12-4 + C4H9 <=> C14H21-13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (286, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (19.4974, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(286,'cm^3/(mol*s)'), n=2.41, Ea=(19.4974,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CsCs;CsJ-CsCsCs """, ) @@ -28838,18 +19652,11 @@ index = 1447, label = "allyl + C10H12-4 <=> C13H17-44", degeneracy = 2.0, - kinetics = Arrhenius( - A = (9980, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (59.1199, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9980,'cm^3/(mol*s)'), n=2.41, Ea=(59.1199,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CsCs;CsJ-CdHH """, ) @@ -28858,18 +19665,11 @@ index = 1448, label = "C4H7-2 + C10H12-4 <=> C14H19-32", degeneracy = 1.0, - kinetics = Arrhenius( - A = (870, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (58.1158, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(870,'cm^3/(mol*s)'), n=2.41, Ea=(58.1158,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CsCs;CsJ-CdCsH """, ) @@ -28878,18 +19678,11 @@ index = 1449, label = "C5H9 + C10H12-4 <=> C15H21-16", degeneracy = 1.0, - kinetics = Arrhenius( - A = (112, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (54.0573, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(112,'cm^3/(mol*s)'), n=2.41, Ea=(54.0573,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CsCs;CsJ-CdCsCs """, ) @@ -28898,18 +19691,11 @@ index = 1450, label = "C5H7-3 + C10H12-4 <=> C15H19-33", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1750, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (78.1571, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1750,'cm^3/(mol*s)'), n=2.41, Ea=(78.1571,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CsCs;CsJ-CdCdH """, ) @@ -28918,18 +19704,11 @@ index = 1451, label = "C6H9-12 + C10H12-4 <=> C16H21-19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (599, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (77.404, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(599,'cm^3/(mol*s)'), n=2.41, Ea=(77.404,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CsCs;CsJ-CdCdCs """, ) @@ -28938,18 +19717,11 @@ index = 1452, label = "C7H7-3 + C10H12-4 <=> C17H19-15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2320, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (49.413, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2320,'cm^3/(mol*s)'), n=2.41, Ea=(49.413,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CsCs;CsJ-CbHH """, ) @@ -28958,18 +19730,11 @@ index = 1453, label = "C8H9 + C10H12-4 <=> C18H21-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (570, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (46.4842, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(570,'cm^3/(mol*s)'), n=2.41, Ea=(46.4842,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CsCs;CsJ-CbCsH """, ) @@ -28978,18 +19743,11 @@ index = 1454, label = "C10H12-4 + C9H11-15 <=> C19H23-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (91.1, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (44.2249, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(91.1,'cm^3/(mol*s)'), n=2.41, Ea=(44.2249,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CsCs;CsJ-CbCsCs """, ) @@ -28998,18 +19756,11 @@ index = 1455, label = "C3H3 + C10H12-4 <=> C13H15-34", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2140, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (48.367, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2140,'cm^3/(mol*s)'), n=2.41, Ea=(48.367,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CsCs;CsJ-CtHH """, ) @@ -29018,18 +19769,11 @@ index = 1456, label = "C4H5-12 + C10H12-4 <=> C14H17-41", degeneracy = 1.0, - kinetics = Arrhenius( - A = (483, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (46.4424, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(483,'cm^3/(mol*s)'), n=2.41, Ea=(46.4424,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CsCs;CsJ-CtCsH """, ) @@ -29038,18 +19782,11 @@ index = 1457, label = "C5H7-5 + C10H12-4 <=> C15H19-34", degeneracy = 1.0, - kinetics = Arrhenius( - A = (123, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.5554, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(123,'cm^3/(mol*s)'), n=2.41, Ea=(43.5554,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CsCs;CsJ-CtCsCs """, ) @@ -29058,18 +19795,11 @@ index = 1458, label = "C2H3 + C10H12-4 <=> C12H15-43", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3240, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (16.7778, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3240,'cm^3/(mol*s)'), n=2.41, Ea=(16.7778,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CsCs;CdsJ-H """, ) @@ -29078,18 +19808,11 @@ index = 1459, label = "C3H5 + C10H12-4 <=> C13H17-45", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1720, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (15.8992, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1720,'cm^3/(mol*s)'), n=2.41, Ea=(15.8992,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CsCs;CdsJ-Cs """, ) @@ -29098,18 +19821,11 @@ index = 1460, label = "C6H5 + C10H12-4 <=> C16H17-13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5110, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (6.81992, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5110,'cm^3/(mol*s)'), n=2.41, Ea=(6.81992,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CsCs;CbJ """, ) @@ -29118,18 +19834,11 @@ index = 1461, label = "CH3 + C10H10-14 <=> C11H13-29", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4220, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (22.7191, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4220,'cm^3/(mol*s)'), n=2.41, Ea=(22.7191,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdH;CsJ-HHH """, ) @@ -29138,18 +19847,11 @@ index = 1462, label = "C10H10-14 + C2H5 <=> C12H15-44", degeneracy = 1.0, - kinetics = Arrhenius( - A = (429, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (20.3342, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(429,'cm^3/(mol*s)'), n=2.41, Ea=(20.3342,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdH;CsJ-CsHH """, ) @@ -29158,18 +19860,11 @@ index = 1463, label = "C10H10-14 + C3H7-2 <=> C13H17-46", degeneracy = 1.0, - kinetics = Arrhenius( - A = (344, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (15.3553, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(344,'cm^3/(mol*s)'), n=2.41, Ea=(15.3553,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdH;CsJ-CsCsH """, ) @@ -29178,18 +19873,11 @@ index = 1464, label = "C10H10-14 + C4H9 <=> C14H19-33", degeneracy = 1.0, - kinetics = Arrhenius( - A = (255, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (9.45584, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(255,'cm^3/(mol*s)'), n=2.41, Ea=(9.45584,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdH;CsJ-CsCsCs """, ) @@ -29198,18 +19886,11 @@ index = 1465, label = "allyl + C10H10-14 <=> C13H15-35", degeneracy = 2.0, - kinetics = Arrhenius( - A = (8920, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (49.0365, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8920,'cm^3/(mol*s)'), n=2.41, Ea=(49.0365,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdH;CsJ-CdHH """, ) @@ -29218,18 +19899,11 @@ index = 1466, label = "C10H10-14 + C4H7-2 <=> C14H17-42", degeneracy = 1.0, - kinetics = Arrhenius( - A = (776, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (48.0323, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(776,'cm^3/(mol*s)'), n=2.41, Ea=(48.0323,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdH;CsJ-CdCsH """, ) @@ -29238,18 +19912,11 @@ index = 1467, label = "C5H9 + C10H10-14 <=> C15H19-35", degeneracy = 1.0, - kinetics = Arrhenius( - A = (100, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.9738, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(100,'cm^3/(mol*s)'), n=2.41, Ea=(43.9738,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdH;CsJ-CdCsCs """, ) @@ -29258,18 +19925,11 @@ index = 1468, label = "C5H7-3 + C10H10-14 <=> C15H17-18", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1570, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (68.0737, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1570,'cm^3/(mol*s)'), n=2.41, Ea=(68.0737,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdH;CsJ-CdCdH """, ) @@ -29278,18 +19938,11 @@ index = 1469, label = "C10H10-14 + C6H9-12 <=> C16H19-18", degeneracy = 1.0, - kinetics = Arrhenius( - A = (534, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (67.3206, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(534,'cm^3/(mol*s)'), n=2.41, Ea=(67.3206,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdH;CsJ-CdCdCs """, ) @@ -29298,18 +19951,11 @@ index = 1470, label = "C10H10-14 + C7H7-3 <=> C17H17-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2070, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (39.3296, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2070,'cm^3/(mol*s)'), n=2.41, Ea=(39.3296,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdH;CsJ-CbHH """, ) @@ -29318,18 +19964,11 @@ index = 1471, label = "C10H10-14 + C8H9 <=> C18H19-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (508, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (36.4008, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(508,'cm^3/(mol*s)'), n=2.41, Ea=(36.4008,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdH;CsJ-CbCsH """, ) @@ -29338,18 +19977,11 @@ index = 1472, label = "C10H10-14 + C9H11-15 <=> C19H21-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (81.3, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (34.1414, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(81.3,'cm^3/(mol*s)'), n=2.41, Ea=(34.1414,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdH;CsJ-CbCsCs """, ) @@ -29358,18 +19990,11 @@ index = 1473, label = "C3H3 + C10H10-14 <=> C13H13-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1910, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (38.2836, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1910,'cm^3/(mol*s)'), n=2.41, Ea=(38.2836,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdH;CsJ-CtHH """, ) @@ -29378,18 +20003,11 @@ index = 1474, label = "C4H5-12 + C10H10-14 <=> C14H15-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (431, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (36.359, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(431,'cm^3/(mol*s)'), n=2.41, Ea=(36.359,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdH;CsJ-CtCsH """, ) @@ -29398,18 +20016,11 @@ index = 1475, label = "C5H7-5 + C10H10-14 <=> C15H17-19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (110, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (33.5138, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(110,'cm^3/(mol*s)'), n=2.41, Ea=(33.5138,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdH;CsJ-CtCsCs """, ) @@ -29418,18 +20029,11 @@ index = 1476, label = "C2H3 + C10H10-14 <=> C12H13-19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2890, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (6.6944, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2890,'cm^3/(mol*s)'), n=2.41, Ea=(6.6944,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdH;CdsJ-H """, ) @@ -29438,18 +20042,11 @@ index = 1477, label = "C3H5 + C10H10-14 <=> C13H15-36", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1530, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (5.81576, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1530,'cm^3/(mol*s)'), n=2.41, Ea=(5.81576,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdH;CdsJ-Cs """, ) @@ -29458,18 +20055,11 @@ index = 1478, label = "C10H10-14 + C6H5 <=> C16H15-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4560, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-3.26352, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4560,'cm^3/(mol*s)'), n=2.41, Ea=(-3.26352,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdH;CbJ """, ) @@ -29478,18 +20068,11 @@ index = 1479, label = "CH3 + C11H12-3 <=> C12H15-45", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4790, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (20.9618, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4790,'cm^3/(mol*s)'), n=2.41, Ea=(20.9618,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdCs;CsJ-HHH """, ) @@ -29498,18 +20081,11 @@ index = 1480, label = "C11H12-3 + C2H5 <=> C13H17-47", degeneracy = 1.0, - kinetics = Arrhenius( - A = (487, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (18.6188, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(487,'cm^3/(mol*s)'), n=2.41, Ea=(18.6188,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdCs;CsJ-CsHH """, ) @@ -29518,18 +20094,11 @@ index = 1481, label = "C11H12-3 + C3H7-2 <=> C14H19-34", degeneracy = 1.0, - kinetics = Arrhenius( - A = (391, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (13.598, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(391,'cm^3/(mol*s)'), n=2.41, Ea=(13.598,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdCs;CsJ-CsCsH """, ) @@ -29538,18 +20107,11 @@ index = 1482, label = "C11H12-3 + C4H9 <=> C15H21-17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (289, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (7.69856, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(289,'cm^3/(mol*s)'), n=2.41, Ea=(7.69856,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdCs;CsJ-CsCsCs """, ) @@ -29558,18 +20120,11 @@ index = 1483, label = "allyl + C11H12-3 <=> C14H17-43", degeneracy = 2.0, - kinetics = Arrhenius( - A = (10120, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (47.2792, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(10120,'cm^3/(mol*s)'), n=2.41, Ea=(47.2792,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdCs;CsJ-CdHH """, ) @@ -29578,18 +20133,11 @@ index = 1484, label = "C4H7-2 + C11H12-3 <=> C15H19-36", degeneracy = 1.0, - kinetics = Arrhenius( - A = (881, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (46.275, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(881,'cm^3/(mol*s)'), n=2.41, Ea=(46.275,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdCs;CsJ-CdCsH """, ) @@ -29598,18 +20146,11 @@ index = 1485, label = "C5H9 + C11H12-3 <=> C16H21-20", degeneracy = 1.0, - kinetics = Arrhenius( - A = (114, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (42.2166, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(114,'cm^3/(mol*s)'), n=2.41, Ea=(42.2166,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdCs;CsJ-CdCsCs """, ) @@ -29618,18 +20159,11 @@ index = 1486, label = "C5H7-3 + C11H12-3 <=> C16H19-19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1780, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (66.3164, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1780,'cm^3/(mol*s)'), n=2.41, Ea=(66.3164,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdCs;CsJ-CdCdH """, ) @@ -29638,18 +20172,11 @@ index = 1487, label = "C6H9-12 + C11H12-3 <=> C17H21-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (606, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (65.5633, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(606,'cm^3/(mol*s)'), n=2.41, Ea=(65.5633,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdCs;CsJ-CdCdCs """, ) @@ -29658,18 +20185,11 @@ index = 1488, label = "C11H12-3 + C7H7-3 <=> C18H19-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2350, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (37.5723, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2350,'cm^3/(mol*s)'), n=2.41, Ea=(37.5723,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdCs;CsJ-CbHH """, ) @@ -29678,18 +20198,11 @@ index = 1489, label = "C11H12-3 + C8H9 <=> C19H21-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (577, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (34.6435, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(577,'cm^3/(mol*s)'), n=2.41, Ea=(34.6435,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdCs;CsJ-CbCsH """, ) @@ -29698,18 +20211,11 @@ index = 1490, label = "C11H12-3 + C9H11-15 <=> C20H23-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (92.3, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (32.3842, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(92.3,'cm^3/(mol*s)'), n=2.41, Ea=(32.3842,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdCs;CsJ-CbCsCs """, ) @@ -29718,18 +20224,11 @@ index = 1491, label = "C3H3 + C11H12-3 <=> C14H15-13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2170, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (36.5263, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2170,'cm^3/(mol*s)'), n=2.41, Ea=(36.5263,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdCs;CsJ-CtHH """, ) @@ -29738,18 +20237,11 @@ index = 1492, label = "C4H5-12 + C11H12-3 <=> C15H17-20", degeneracy = 1.0, - kinetics = Arrhenius( - A = (489, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (34.6017, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(489,'cm^3/(mol*s)'), n=2.41, Ea=(34.6017,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdCs;CsJ-CtCsH """, ) @@ -29758,18 +20250,11 @@ index = 1493, label = "C5H7-5 + C11H12-3 <=> C16H19-20", degeneracy = 1.0, - kinetics = Arrhenius( - A = (125, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (31.7566, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(125,'cm^3/(mol*s)'), n=2.41, Ea=(31.7566,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdCs;CsJ-CtCsCs """, ) @@ -29778,18 +20263,11 @@ index = 1494, label = "C2H3 + C11H12-3 <=> C13H15-37", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3280, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (4.97896, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3280,'cm^3/(mol*s)'), n=2.41, Ea=(4.97896,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdCs;CdsJ-H """, ) @@ -29798,18 +20276,11 @@ index = 1495, label = "C3H5 + C11H12-3 <=> C14H17-44", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1740, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (4.05848, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1740,'cm^3/(mol*s)'), n=2.41, Ea=(4.05848,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdCs;CdsJ-Cs """, ) @@ -29818,18 +20289,11 @@ index = 1496, label = "C11H12-3 + C6H5 <=> C17H17-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5180, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-5.0208, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5180,'cm^3/(mol*s)'), n=2.41, Ea=(-5.0208,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdCs;CbJ """, ) @@ -29838,18 +20302,11 @@ index = 1497, label = "CH3 + C12H12-2 <=> C13H15-38", degeneracy = 1.0, - kinetics = Arrhenius( - A = (14600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (17.1962, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(14600,'cm^3/(mol*s)'), n=2.41, Ea=(17.1962,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdCd;CsJ-HHH """, ) @@ -29858,18 +20315,11 @@ index = 1498, label = "C12H12-2 + C2H5 <=> C14H17-45", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1480, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (14.8114, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1480,'cm^3/(mol*s)'), n=2.41, Ea=(14.8114,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdCd;CsJ-CsHH """, ) @@ -29878,18 +20328,11 @@ index = 1499, label = "C12H12-2 + C3H7-2 <=> C15H19-37", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1190, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (9.8324, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1190,'cm^3/(mol*s)'), n=2.41, Ea=(9.8324,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdCd;CsJ-CsCsH """, ) @@ -29898,18 +20341,11 @@ index = 1500, label = "C12H12-2 + C4H9 <=> C16H21-21", degeneracy = 1.0, - kinetics = Arrhenius( - A = (881, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (3.89112, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(881,'cm^3/(mol*s)'), n=2.41, Ea=(3.89112,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdCd;CsJ-CsCsCs """, ) @@ -29918,18 +20354,11 @@ index = 1501, label = "allyl + C12H12-2 <=> C15H17-21", degeneracy = 2.0, - kinetics = Arrhenius( - A = (30800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.5136, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(30800,'cm^3/(mol*s)'), n=2.41, Ea=(43.5136,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdCd;CsJ-CdHH """, ) @@ -29938,18 +20367,11 @@ index = 1502, label = "C12H12-2 + C4H7-2 <=> C16H19-21", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2680, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (42.5094, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2680,'cm^3/(mol*s)'), n=2.41, Ea=(42.5094,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdCd;CsJ-CdCsH """, ) @@ -29958,18 +20380,11 @@ index = 1503, label = "C12H12-2 + C5H9 <=> C17H21-13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (347, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (38.451, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(347,'cm^3/(mol*s)'), n=2.41, Ea=(38.451,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdCd;CsJ-CdCsCs """, ) @@ -29978,18 +20393,11 @@ index = 1504, label = "C12H12-2 + C5H7-3 <=> C17H19-16", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5410, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (62.5508, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5410,'cm^3/(mol*s)'), n=2.41, Ea=(62.5508,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdCd;CsJ-CdCdH """, ) @@ -29998,18 +20406,11 @@ index = 1505, label = "C6H9-12 + C12H12-2 <=> C18H21-13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1850, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (61.7977, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1850,'cm^3/(mol*s)'), n=2.41, Ea=(61.7977,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdCd;CsJ-CdCdCs """, ) @@ -30018,18 +20419,11 @@ index = 1506, label = "C12H12-2 + C7H7-3 <=> C19H19-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7150, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (33.8067, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7150,'cm^3/(mol*s)'), n=2.41, Ea=(33.8067,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdCd;CsJ-CbHH """, ) @@ -30038,18 +20432,11 @@ index = 1507, label = "C12H12-2 + C8H9 <=> C20H21-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1760, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (30.8779, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1760,'cm^3/(mol*s)'), n=2.41, Ea=(30.8779,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdCd;CsJ-CbCsH """, ) @@ -30058,18 +20445,11 @@ index = 1508, label = "C12H12-2 + C9H11-15 <=> C21H23-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (281, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (28.6186, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(281,'cm^3/(mol*s)'), n=2.41, Ea=(28.6186,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdCd;CsJ-CbCsCs """, ) @@ -30078,18 +20458,11 @@ index = 1509, label = "C3H3 + C12H12-2 <=> C15H15-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6610, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (32.7607, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6610,'cm^3/(mol*s)'), n=2.41, Ea=(32.7607,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdCd;CsJ-CtHH """, ) @@ -30098,18 +20471,11 @@ index = 1510, label = "C4H5-12 + C12H12-2 <=> C16H17-14", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1490, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (30.8361, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1490,'cm^3/(mol*s)'), n=2.41, Ea=(30.8361,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdCd;CsJ-CtCsH """, ) @@ -30118,18 +20484,11 @@ index = 1511, label = "C5H7-5 + C12H12-2 <=> C17H19-17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (380, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (27.991, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(380,'cm^3/(mol*s)'), n=2.41, Ea=(27.991,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdCd;CsJ-CtCsCs """, ) @@ -30138,18 +20497,11 @@ index = 1512, label = "C2H3 + C12H12-2 <=> C14H15-14", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9990, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (1.17152, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9990,'cm^3/(mol*s)'), n=2.41, Ea=(1.17152,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdCd;CdsJ-H """, ) @@ -30158,18 +20510,11 @@ index = 1513, label = "C3H5 + C12H12-2 <=> C15H17-22", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5300, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (0.29288, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5300,'cm^3/(mol*s)'), n=2.41, Ea=(0.29288,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdCd;CdsJ-Cs """, ) @@ -30178,18 +20523,11 @@ index = 1514, label = "C12H12-2 + C6H5 <=> C18H17-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (15800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-8.7864, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(15800,'cm^3/(mol*s)'), n=2.41, Ea=(-8.7864,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdCd;CbJ """, ) @@ -30198,18 +20536,11 @@ index = 1515, label = "CH3 + C14H12 <=> C15H15-10", degeneracy = 2.0, - kinetics = Arrhenius( - A = (2760, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (30.083, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2760,'cm^3/(mol*s)'), n=2.41, Ea=(30.083,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CbH;CsJ-HHH """, ) @@ -30218,18 +20549,11 @@ index = 1516, label = "C2H5 + C14H12 <=> C16H17-15", degeneracy = 2.0, - kinetics = Arrhenius( - A = (280, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (27.6981, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(280,'cm^3/(mol*s)'), n=2.41, Ea=(27.6981,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CbH;CsJ-CsHH """, ) @@ -30238,18 +20562,11 @@ index = 1517, label = "C14H12 + C3H7-2 <=> C17H19-18", degeneracy = 2.0, - kinetics = Arrhenius( - A = (224, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (22.6773, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(224,'cm^3/(mol*s)'), n=2.41, Ea=(22.6773,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CbH;CsJ-CsCsH """, ) @@ -30258,18 +20575,11 @@ index = 1518, label = "C14H12 + C4H9 <=> C18H21-14", degeneracy = 2.0, - kinetics = Arrhenius( - A = (166.4, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (16.7778, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(166.4,'cm^3/(mol*s)'), n=2.41, Ea=(16.7778,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CbH;CsJ-CsCsCs """, ) @@ -30278,18 +20588,11 @@ index = 1519, label = "allyl + C14H12 <=> C17H17-6", degeneracy = 4.0, - kinetics = Arrhenius( - A = (5800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (56.4003, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5800,'cm^3/(mol*s)'), n=2.41, Ea=(56.4003,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CbH;CsJ-CdHH """, ) @@ -30298,18 +20601,11 @@ index = 1520, label = "C4H7-2 + C14H12 <=> C18H19-7", degeneracy = 2.0, - kinetics = Arrhenius( - A = (506, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (55.3962, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(506,'cm^3/(mol*s)'), n=2.41, Ea=(55.3962,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CbH;CsJ-CdCsH """, ) @@ -30318,18 +20614,11 @@ index = 1521, label = "C5H9 + C14H12 <=> C19H21-7", degeneracy = 2.0, - kinetics = Arrhenius( - A = (65.6, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (51.2958, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(65.6,'cm^3/(mol*s)'), n=2.41, Ea=(51.2958,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CbH;CsJ-CdCsCs """, ) @@ -30338,18 +20627,11 @@ index = 1522, label = "C5H7-3 + C14H12 <=> C19H19-4", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1022, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (75.3957, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1022,'cm^3/(mol*s)'), n=2.41, Ea=(75.3957,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CbH;CsJ-CdCdH """, ) @@ -30358,18 +20640,11 @@ index = 1523, label = "C6H9-12 + C14H12 <=> C20H21-4", degeneracy = 2.0, - kinetics = Arrhenius( - A = (348, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (74.6426, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(348,'cm^3/(mol*s)'), n=2.41, Ea=(74.6426,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CbH;CsJ-CdCdCs """, ) @@ -30378,18 +20653,11 @@ index = 1524, label = "C7H7-3 + C14H12 <=> C21H19", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1350, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (46.6516, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1350,'cm^3/(mol*s)'), n=2.41, Ea=(46.6516,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CbH;CsJ-CbHH """, ) @@ -30398,18 +20666,11 @@ index = 1525, label = "C14H12 + C8H9 <=> C22H21", degeneracy = 2.0, - kinetics = Arrhenius( - A = (332, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.7228, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(332,'cm^3/(mol*s)'), n=2.41, Ea=(43.7228,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CbH;CsJ-CbCsH """, ) @@ -30418,18 +20679,11 @@ index = 1526, label = "C14H12 + C9H11-15 <=> C23H23", degeneracy = 2.0, - kinetics = Arrhenius( - A = (53, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (41.5053, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(53,'cm^3/(mol*s)'), n=2.41, Ea=(41.5053,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CbH;CsJ-CbCsCs """, ) @@ -30438,18 +20692,11 @@ index = 1527, label = "C3H3 + C14H12 <=> C17H15", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1248, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (45.6056, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1248,'cm^3/(mol*s)'), n=2.41, Ea=(45.6056,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CbH;CsJ-CtHH """, ) @@ -30458,18 +20705,11 @@ index = 1528, label = "C4H5-12 + C14H12 <=> C18H17-3", degeneracy = 2.0, - kinetics = Arrhenius( - A = (282, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.681, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(282,'cm^3/(mol*s)'), n=2.41, Ea=(43.681,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CbH;CsJ-CtCsH """, ) @@ -30478,18 +20718,11 @@ index = 1529, label = "C5H7-5 + C14H12 <=> C19H19-5", degeneracy = 2.0, - kinetics = Arrhenius( - A = (71.8, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (40.8358, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(71.8,'cm^3/(mol*s)'), n=2.41, Ea=(40.8358,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CbH;CsJ-CtCsCs """, ) @@ -30498,18 +20731,11 @@ index = 1530, label = "C2H3 + C14H12 <=> C16H15-3", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1886, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (14.0582, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1886,'cm^3/(mol*s)'), n=2.41, Ea=(14.0582,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CbH;CdsJ-H """, ) @@ -30518,18 +20744,11 @@ index = 1531, label = "C3H5 + C14H12 <=> C17H17-7", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (13.1378, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1000,'cm^3/(mol*s)'), n=2.41, Ea=(13.1378,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CbH;CdsJ-Cs """, ) @@ -30538,18 +20757,11 @@ index = 1532, label = "C6H5 + C14H12 <=> C20H17", degeneracy = 2.0, - kinetics = Arrhenius( - A = (2980, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (4.05848, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2980,'cm^3/(mol*s)'), n=2.41, Ea=(4.05848,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CbH;CbJ """, ) @@ -30558,18 +20770,11 @@ index = 1533, label = "CH3 + C15H14 <=> C16H17-16", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2920, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (29.4135, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2920,'cm^3/(mol*s)'), n=2.41, Ea=(29.4135,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CbCs;CsJ-HHH """, ) @@ -30578,18 +20783,11 @@ index = 1534, label = "C2H5 + C15H14 <=> C17H19-19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (297, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (27.0286, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(297,'cm^3/(mol*s)'), n=2.41, Ea=(27.0286,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CbCs;CsJ-CsHH """, ) @@ -30598,18 +20796,11 @@ index = 1535, label = "C15H14 + C3H7-2 <=> C18H21-15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (238, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (22.0078, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(238,'cm^3/(mol*s)'), n=2.41, Ea=(22.0078,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CbCs;CsJ-CsCsH """, ) @@ -30618,18 +20809,11 @@ index = 1536, label = "C15H14 + C4H9 <=> C19H23-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (176, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (16.1084, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(176,'cm^3/(mol*s)'), n=2.41, Ea=(16.1084,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CbCs;CsJ-CsCsCs """, ) @@ -30638,18 +20822,11 @@ index = 1537, label = "allyl + C15H14 <=> C18H19-8", degeneracy = 2.0, - kinetics = Arrhenius( - A = (6180, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (55.7309, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6180,'cm^3/(mol*s)'), n=2.41, Ea=(55.7309,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CbCs;CsJ-CdHH """, ) @@ -30658,18 +20835,11 @@ index = 1538, label = "C4H7-2 + C15H14 <=> C19H21-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (537, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (54.7267, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(537,'cm^3/(mol*s)'), n=2.41, Ea=(54.7267,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CbCs;CsJ-CdCsH """, ) @@ -30678,18 +20848,11 @@ index = 1539, label = "C5H9 + C15H14 <=> C20H23-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (69.5, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (50.6264, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(69.5,'cm^3/(mol*s)'), n=2.41, Ea=(50.6264,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CbCs;CsJ-CdCsCs """, ) @@ -30698,18 +20861,11 @@ index = 1540, label = "C5H7-3 + C15H14 <=> C20H21-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1080, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (74.7262, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1080,'cm^3/(mol*s)'), n=2.41, Ea=(74.7262,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CbCs;CsJ-CdCdH """, ) @@ -30718,18 +20874,11 @@ index = 1541, label = "C6H9-12 + C15H14 <=> C21H23-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (370, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (73.9731, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(370,'cm^3/(mol*s)'), n=2.41, Ea=(73.9731,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CbCs;CsJ-CdCdCs """, ) @@ -30738,18 +20887,11 @@ index = 1542, label = "C7H7-3 + C15H14 <=> C22H21-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1430, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (45.9822, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1430,'cm^3/(mol*s)'), n=2.41, Ea=(45.9822,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CbCs;CsJ-CbHH """, ) @@ -30758,18 +20900,11 @@ index = 1543, label = "C15H14 + C8H9 <=> C23H23-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (352, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.0534, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(352,'cm^3/(mol*s)'), n=2.41, Ea=(43.0534,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CbCs;CsJ-CbCsH """, ) @@ -30778,18 +20913,11 @@ index = 1544, label = "C15H14 + C9H11-15 <=> C24H25", degeneracy = 1.0, - kinetics = Arrhenius( - A = (56.3, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (40.8358, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(56.3,'cm^3/(mol*s)'), n=2.41, Ea=(40.8358,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CbCs;CsJ-CbCsCs """, ) @@ -30798,18 +20926,11 @@ index = 1545, label = "C3H3 + C15H14 <=> C18H17-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1320, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (44.9362, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1320,'cm^3/(mol*s)'), n=2.41, Ea=(44.9362,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CbCs;CsJ-CtHH """, ) @@ -30818,18 +20939,11 @@ index = 1546, label = "C4H5-12 + C15H14 <=> C19H19-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (298, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.0115, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(298,'cm^3/(mol*s)'), n=2.41, Ea=(43.0115,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CbCs;CsJ-CtCsH """, ) @@ -30838,18 +20952,11 @@ index = 1547, label = "C5H7-5 + C15H14 <=> C20H21-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (76.1, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (40.1664, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(76.1,'cm^3/(mol*s)'), n=2.41, Ea=(40.1664,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CbCs;CsJ-CtCsCs """, ) @@ -30858,18 +20965,11 @@ index = 1548, label = "C2H3 + C15H14 <=> C17H17-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (13.3888, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2000,'cm^3/(mol*s)'), n=2.41, Ea=(13.3888,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CbCs;CdsJ-H """, ) @@ -30878,18 +20978,11 @@ index = 1549, label = "C3H5 + C15H14 <=> C18H19-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1060, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (12.4683, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1060,'cm^3/(mol*s)'), n=2.41, Ea=(12.4683,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CbCs;CdsJ-Cs """, ) @@ -30898,18 +20991,11 @@ index = 1550, label = "C6H5 + C15H14 <=> C21H19-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3160, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (3.38904, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3160,'cm^3/(mol*s)'), n=2.41, Ea=(3.38904,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CbCs;CbJ """, ) @@ -30918,18 +21004,11 @@ index = 1551, label = "C10H8-5 + CH3 <=> C11H11-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5470, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (22.0915, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5470,'cm^3/(mol*s)'), n=2.41, Ea=(22.0915,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CtH;CsJ-HHH """, ) @@ -30938,18 +21017,11 @@ index = 1552, label = "C10H8-5 + C2H5 <=> C12H13-20", degeneracy = 1.0, - kinetics = Arrhenius( - A = (556, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (19.7066, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(556,'cm^3/(mol*s)'), n=2.41, Ea=(19.7066,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CtH;CsJ-CsHH """, ) @@ -30958,18 +21030,11 @@ index = 1553, label = "C10H8-5 + C3H7-2 <=> C13H15-39", degeneracy = 1.0, - kinetics = Arrhenius( - A = (446, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (14.6858, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(446,'cm^3/(mol*s)'), n=2.41, Ea=(14.6858,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CtH;CsJ-CsCsH """, ) @@ -30978,18 +21043,11 @@ index = 1554, label = "C10H8-5 + C4H9 <=> C14H17-46", degeneracy = 1.0, - kinetics = Arrhenius( - A = (330, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (8.7864, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(330,'cm^3/(mol*s)'), n=2.41, Ea=(8.7864,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CtH;CsJ-CsCsCs """, ) @@ -30998,18 +21056,11 @@ index = 1555, label = "C10H8-5 + allyl <=> C13H13-7", degeneracy = 2.0, - kinetics = Arrhenius( - A = (11560, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (48.4089, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(11560,'cm^3/(mol*s)'), n=2.41, Ea=(48.4089,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CtH;CsJ-CdHH """, ) @@ -31018,18 +21069,11 @@ index = 1556, label = "C10H8-5 + C4H7-2 <=> C14H15-15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1010, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (47.4047, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1010,'cm^3/(mol*s)'), n=2.41, Ea=(47.4047,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CtH;CsJ-CdCsH """, ) @@ -31038,18 +21082,11 @@ index = 1557, label = "C10H8-5 + C5H9 <=> C15H17-23", degeneracy = 1.0, - kinetics = Arrhenius( - A = (130, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.3044, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(130,'cm^3/(mol*s)'), n=2.41, Ea=(43.3044,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CtH;CsJ-CdCsCs """, ) @@ -31058,18 +21095,11 @@ index = 1558, label = "C10H8-5 + C5H7-3 <=> C15H15-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2030, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (67.4042, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2030,'cm^3/(mol*s)'), n=2.41, Ea=(67.4042,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CtH;CsJ-CdCdH """, ) @@ -31078,18 +21108,11 @@ index = 1559, label = "C10H8-5 + C6H9-12 <=> C16H17-17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (693, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (66.6511, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(693,'cm^3/(mol*s)'), n=2.41, Ea=(66.6511,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CtH;CsJ-CdCdCs """, ) @@ -31098,18 +21121,11 @@ index = 1560, label = "C10H8-5 + C7H7-3 <=> C17H15-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2680, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (38.6602, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2680,'cm^3/(mol*s)'), n=2.41, Ea=(38.6602,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CtH;CsJ-CbHH """, ) @@ -31118,18 +21134,11 @@ index = 1561, label = "C10H8-5 + C8H9 <=> C18H17-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (659, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (35.7732, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(659,'cm^3/(mol*s)'), n=2.41, Ea=(35.7732,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CtH;CsJ-CbCsH """, ) @@ -31138,18 +21147,11 @@ index = 1562, label = "C10H8-5 + C9H11-15 <=> C19H19-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (105, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (33.5138, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(105,'cm^3/(mol*s)'), n=2.41, Ea=(33.5138,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CtH;CsJ-CbCsCs """, ) @@ -31158,18 +21160,11 @@ index = 1563, label = "C3H3 + C10H8-5 <=> C13H11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2480, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (37.656, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2480,'cm^3/(mol*s)'), n=2.41, Ea=(37.656,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CtH;CsJ-CtHH """, ) @@ -31178,18 +21173,11 @@ index = 1564, label = "C10H8-5 + C4H5-12 <=> C14H13-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (558, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (35.6895, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(558,'cm^3/(mol*s)'), n=2.41, Ea=(35.6895,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CtH;CsJ-CtCsH """, ) @@ -31198,18 +21186,11 @@ index = 1565, label = "C5H7-5 + C10H8-5 <=> C15H15-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (142, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (32.8444, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(142,'cm^3/(mol*s)'), n=2.41, Ea=(32.8444,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CtH;CsJ-CtCsCs """, ) @@ -31218,18 +21199,11 @@ index = 1566, label = "C10H8-5 + C2H3 <=> C12H11-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3750, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (6.0668, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3750,'cm^3/(mol*s)'), n=2.41, Ea=(6.0668,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CtH;CdsJ-H """, ) @@ -31238,18 +21212,11 @@ index = 1567, label = "C10H8-5 + C3H5 <=> C13H13-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1990, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (5.18816, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1990,'cm^3/(mol*s)'), n=2.41, Ea=(5.18816,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CtH;CdsJ-Cs """, ) @@ -31258,18 +21225,11 @@ index = 1568, label = "C10H8-5 + C6H5 <=> C16H13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5920, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-3.93296, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5920,'cm^3/(mol*s)'), n=2.41, Ea=(-3.93296,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CtH;CbJ """, ) @@ -31278,18 +21238,11 @@ index = 1569, label = "C11H10 + CH3 <=> C12H13-21", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (21.715, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5600,'cm^3/(mol*s)'), n=2.41, Ea=(21.715,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CtCs;CsJ-HHH """, ) @@ -31298,18 +21251,11 @@ index = 1570, label = "C11H10 + C2H5 <=> C13H15-40", degeneracy = 1.0, - kinetics = Arrhenius( - A = (569, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (19.3301, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(569,'cm^3/(mol*s)'), n=2.41, Ea=(19.3301,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CtCs;CsJ-CsHH """, ) @@ -31318,18 +21264,11 @@ index = 1571, label = "C11H10 + C3H7-2 <=> C14H17-47", degeneracy = 1.0, - kinetics = Arrhenius( - A = (457, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (14.3511, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(457,'cm^3/(mol*s)'), n=2.41, Ea=(14.3511,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CtCs;CsJ-CsCsH """, ) @@ -31338,18 +21277,11 @@ index = 1572, label = "C11H10 + C4H9 <=> C15H19-38", degeneracy = 1.0, - kinetics = Arrhenius( - A = (338, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (8.40984, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(338,'cm^3/(mol*s)'), n=2.41, Ea=(8.40984,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CtCs;CsJ-CsCsCs """, ) @@ -31358,18 +21290,11 @@ index = 1573, label = "C11H10 + allyl <=> C14H15-16", degeneracy = 2.0, - kinetics = Arrhenius( - A = (11820, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (48.0323, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(11820,'cm^3/(mol*s)'), n=2.41, Ea=(48.0323,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CtCs;CsJ-CdHH """, ) @@ -31378,18 +21303,11 @@ index = 1574, label = "C11H10 + C4H7-2 <=> C15H17-24", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1030, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (47.0282, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1030,'cm^3/(mol*s)'), n=2.41, Ea=(47.0282,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CtCs;CsJ-CdCsH """, ) @@ -31398,18 +21316,11 @@ index = 1575, label = "C11H10 + C5H9 <=> C16H19-22", degeneracy = 1.0, - kinetics = Arrhenius( - A = (133, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (42.9697, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(133,'cm^3/(mol*s)'), n=2.41, Ea=(42.9697,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CtCs;CsJ-CdCsCs """, ) @@ -31418,18 +21329,11 @@ index = 1576, label = "C11H10 + C5H7-3 <=> C16H17-18", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2080, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (67.0695, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2080,'cm^3/(mol*s)'), n=2.41, Ea=(67.0695,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CtCs;CsJ-CdCdH """, ) @@ -31438,18 +21342,11 @@ index = 1577, label = "C11H10 + C6H9-12 <=> C17H19-20", degeneracy = 1.0, - kinetics = Arrhenius( - A = (709, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (66.3164, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(709,'cm^3/(mol*s)'), n=2.41, Ea=(66.3164,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CtCs;CsJ-CdCdCs """, ) @@ -31458,18 +21355,11 @@ index = 1578, label = "C11H10 + C7H7-3 <=> C18H17-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2740, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (38.3254, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2740,'cm^3/(mol*s)'), n=2.41, Ea=(38.3254,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CtCs;CsJ-CbHH """, ) @@ -31478,18 +21368,11 @@ index = 1579, label = "C11H10 + C8H9 <=> C19H19-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (674, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (35.3966, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(674,'cm^3/(mol*s)'), n=2.41, Ea=(35.3966,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CtCs;CsJ-CbCsH """, ) @@ -31498,18 +21381,11 @@ index = 1580, label = "C11H10 + C9H11-15 <=> C20H21-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (108, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (33.1373, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(108,'cm^3/(mol*s)'), n=2.41, Ea=(33.1373,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CtCs;CsJ-CbCsCs """, ) @@ -31518,18 +21394,11 @@ index = 1581, label = "C3H3 + C11H10 <=> C14H13-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2530, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (37.2794, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2530,'cm^3/(mol*s)'), n=2.41, Ea=(37.2794,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CtCs;CsJ-CtHH """, ) @@ -31538,18 +21407,11 @@ index = 1582, label = "C11H10 + C4H5-12 <=> C15H15-13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (572, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (35.3548, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(572,'cm^3/(mol*s)'), n=2.41, Ea=(35.3548,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CtCs;CsJ-CtCsH """, ) @@ -31558,18 +21420,11 @@ index = 1583, label = "C11H10 + C5H7-5 <=> C16H17-19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (146, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (32.5097, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(146,'cm^3/(mol*s)'), n=2.41, Ea=(32.5097,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CtCs;CsJ-CtCsCs """, ) @@ -31578,18 +21433,11 @@ index = 1584, label = "C11H10 + C2H3 <=> C13H13-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3830, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (5.69024, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3830,'cm^3/(mol*s)'), n=2.41, Ea=(5.69024,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CtCs;CdsJ-H """, ) @@ -31598,18 +21446,11 @@ index = 1585, label = "C11H10 + C3H5 <=> C14H15-17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2030, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (4.8116, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2030,'cm^3/(mol*s)'), n=2.41, Ea=(4.8116,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CtCs;CdsJ-Cs """, ) @@ -31618,18 +21459,11 @@ index = 1586, label = "C11H10 + C6H5 <=> C17H15-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6060, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-4.26768, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6060,'cm^3/(mol*s)'), n=2.41, Ea=(-4.26768,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CtCs;CbJ """, ) @@ -31638,18 +21472,11 @@ index = 1587, label = "CH3 + C9H8-12 <=> C10H11-34", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4040, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (38.1162, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4040,'cm^3/(mol*s)'), n=2.41, Ea=(38.1162,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Ca;CsJ-HHH """, ) @@ -31658,18 +21485,11 @@ index = 1588, label = "C9H8-12 + C2H5 <=> C11H13-30", degeneracy = 1.0, - kinetics = Arrhenius( - A = (411, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (35.7314, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(411,'cm^3/(mol*s)'), n=2.41, Ea=(35.7314,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Ca;CsJ-CsHH """, ) @@ -31678,18 +21498,11 @@ index = 1589, label = "C9H8-12 + C3H7-2 <=> C12H15-46", degeneracy = 1.0, - kinetics = Arrhenius( - A = (330, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (30.7106, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(330,'cm^3/(mol*s)'), n=2.41, Ea=(30.7106,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Ca;CsJ-CsCsH """, ) @@ -31698,18 +21511,11 @@ index = 1590, label = "C9H8-12 + C4H9 <=> C13H17-48", degeneracy = 1.0, - kinetics = Arrhenius( - A = (244, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (24.8111, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(244,'cm^3/(mol*s)'), n=2.41, Ea=(24.8111,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Ca;CsJ-CsCsCs """, ) @@ -31718,18 +21524,11 @@ index = 1591, label = "C9H8-12 + allyl <=> C12H13-22", degeneracy = 2.0, - kinetics = Arrhenius( - A = (8540, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (64.4336, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8540,'cm^3/(mol*s)'), n=2.41, Ea=(64.4336,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Ca;CsJ-CdHH """, ) @@ -31738,18 +21537,11 @@ index = 1592, label = "C9H8-12 + C4H7-2 <=> C13H15-41", degeneracy = 1.0, - kinetics = Arrhenius( - A = (743, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (63.4294, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(743,'cm^3/(mol*s)'), n=2.41, Ea=(63.4294,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Ca;CsJ-CdCsH """, ) @@ -31758,18 +21550,11 @@ index = 1593, label = "C9H8-12 + C5H9 <=> C14H17-48", degeneracy = 1.0, - kinetics = Arrhenius( - A = (96.1, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (59.3291, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(96.1,'cm^3/(mol*s)'), n=2.41, Ea=(59.3291,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Ca;CsJ-CdCsCs """, ) @@ -31778,18 +21563,11 @@ index = 1594, label = "C9H8-12 + C5H7-3 <=> C14H15-18", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1500, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (83.429, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1500,'cm^3/(mol*s)'), n=2.41, Ea=(83.429,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Ca;CsJ-CdCdH """, ) @@ -31798,18 +21576,11 @@ index = 1595, label = "C9H8-12 + C6H9-12 <=> C15H17-25", degeneracy = 1.0, - kinetics = Arrhenius( - A = (512, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (82.6758, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(512,'cm^3/(mol*s)'), n=2.41, Ea=(82.6758,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Ca;CsJ-CdCdCs """, ) @@ -31818,18 +21589,11 @@ index = 1596, label = "C9H8-12 + C7H7-3 <=> C16H15-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1980, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (54.6849, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1980,'cm^3/(mol*s)'), n=2.41, Ea=(54.6849,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Ca;CsJ-CbHH """, ) @@ -31838,18 +21602,11 @@ index = 1597, label = "C9H8-12 + C8H9 <=> C17H17-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (487, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (51.7561, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(487,'cm^3/(mol*s)'), n=2.41, Ea=(51.7561,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Ca;CsJ-CbCsH """, ) @@ -31858,18 +21615,11 @@ index = 1598, label = "C9H8-12 + C9H11-15 <=> C18H19-10", degeneracy = 1.0, - kinetics = Arrhenius( - A = (77.9, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (49.5386, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(77.9,'cm^3/(mol*s)'), n=2.41, Ea=(49.5386,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Ca;CsJ-CbCsCs """, ) @@ -31878,18 +21628,11 @@ index = 1599, label = "C3H3 + C9H8-12 <=> C12H11-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1830, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (53.6389, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1830,'cm^3/(mol*s)'), n=2.41, Ea=(53.6389,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Ca;CsJ-CtHH """, ) @@ -31898,18 +21641,11 @@ index = 1600, label = "C4H5-12 + C9H8-12 <=> C13H13-10", degeneracy = 1.0, - kinetics = Arrhenius( - A = (413, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (51.7142, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(413,'cm^3/(mol*s)'), n=2.41, Ea=(51.7142,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Ca;CsJ-CtCsH """, ) @@ -31918,18 +21654,11 @@ index = 1601, label = "C5H7-5 + C9H8-12 <=> C14H15-19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (105, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (48.8691, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(105,'cm^3/(mol*s)'), n=2.41, Ea=(48.8691,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Ca;CsJ-CtCsCs """, ) @@ -31938,18 +21667,11 @@ index = 1602, label = "C2H3 + C9H8-12 <=> C11H11-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2770, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (22.0915, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2770,'cm^3/(mol*s)'), n=2.41, Ea=(22.0915,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Ca;CdsJ-H """, ) @@ -31958,18 +21680,11 @@ index = 1603, label = "C9H8-12 + C3H5 <=> C12H13-23", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1470, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (21.171, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1470,'cm^3/(mol*s)'), n=2.41, Ea=(21.171,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Ca;CdsJ-Cs """, ) @@ -31978,18 +21693,11 @@ index = 1604, label = "C9H8-12 + C6H5 <=> C15H13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4370, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (12.0918, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4370,'cm^3/(mol*s)'), n=2.41, Ea=(12.0918,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Ca;CbJ """, ) @@ -31998,18 +21706,11 @@ index = 1605, label = "CH3 + C9H10-3 <=> C10H13-42", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3340, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (40.7103, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3340,'cm^3/(mol*s)'), n=2.41, Ea=(40.7103,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-HH;CsJ-HHH """, ) @@ -32018,18 +21719,11 @@ index = 1606, label = "C9H10-3 + C2H5 <=> C11H15-55", degeneracy = 1.0, - kinetics = Arrhenius( - A = (339, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (38.3673, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(339,'cm^3/(mol*s)'), n=2.41, Ea=(38.3673,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-HH;CsJ-CsHH """, ) @@ -32038,18 +21732,11 @@ index = 1607, label = "C9H10-3 + C3H7-2 <=> C12H17-50", degeneracy = 1.0, - kinetics = Arrhenius( - A = (272, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (33.3465, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(272,'cm^3/(mol*s)'), n=2.41, Ea=(33.3465,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-HH;CsJ-CsCsH """, ) @@ -32058,18 +21745,11 @@ index = 1608, label = "C9H10-3 + C4H9 <=> C13H19-32", degeneracy = 1.0, - kinetics = Arrhenius( - A = (201, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (27.447, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(201,'cm^3/(mol*s)'), n=2.41, Ea=(27.447,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-HH;CsJ-CsCsCs """, ) @@ -32078,18 +21758,11 @@ index = 1609, label = "allyl + C9H10-3 <=> C12H15-47", degeneracy = 2.0, - kinetics = Arrhenius( - A = (7040, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (67.0277, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7040,'cm^3/(mol*s)'), n=2.41, Ea=(67.0277,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-HH;CsJ-CdHH """, ) @@ -32098,18 +21771,11 @@ index = 1610, label = "C4H7-2 + C9H10-3 <=> C13H17-49", degeneracy = 1.0, - kinetics = Arrhenius( - A = (613, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (66.0654, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(613,'cm^3/(mol*s)'), n=2.41, Ea=(66.0654,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-HH;CsJ-CdCsH """, ) @@ -32118,18 +21784,11 @@ index = 1611, label = "C5H9 + C9H10-3 <=> C14H19-35", degeneracy = 1.0, - kinetics = Arrhenius( - A = (79.3, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (61.965, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(79.3,'cm^3/(mol*s)'), n=2.41, Ea=(61.965,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-HH;CsJ-CdCsCs """, ) @@ -32138,18 +21797,11 @@ index = 1612, label = "C5H7-3 + C9H10-3 <=> C14H17-49", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1240, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (86.0649, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1240,'cm^3/(mol*s)'), n=2.41, Ea=(86.0649,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-HH;CsJ-CdCdH """, ) @@ -32158,18 +21810,11 @@ index = 1613, label = "C6H9-12 + C9H10-3 <=> C15H19-39", degeneracy = 1.0, - kinetics = Arrhenius( - A = (422, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (85.3118, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(422,'cm^3/(mol*s)'), n=2.41, Ea=(85.3118,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-HH;CsJ-CdCdCs """, ) @@ -32178,18 +21823,11 @@ index = 1614, label = "C9H10-3 + C7H7-3 <=> C16H17-20", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1630, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (57.3208, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1630,'cm^3/(mol*s)'), n=2.41, Ea=(57.3208,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-HH;CsJ-CbHH """, ) @@ -32198,18 +21836,11 @@ index = 1615, label = "C9H10-3 + C8H9 <=> C17H19-21", degeneracy = 1.0, - kinetics = Arrhenius( - A = (402, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (54.392, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(402,'cm^3/(mol*s)'), n=2.41, Ea=(54.392,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-HH;CsJ-CbCsH """, ) @@ -32218,18 +21849,11 @@ index = 1616, label = "C9H10-3 + C9H11-15 <=> C18H21-16", degeneracy = 1.0, - kinetics = Arrhenius( - A = (64.2, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (52.1326, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(64.2,'cm^3/(mol*s)'), n=2.41, Ea=(52.1326,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-HH;CsJ-CbCsCs """, ) @@ -32238,18 +21862,11 @@ index = 1617, label = "C3H3 + C9H10-3 <=> C12H13-24", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1510, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (56.2748, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1510,'cm^3/(mol*s)'), n=2.41, Ea=(56.2748,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-HH;CsJ-CtHH """, ) @@ -32258,18 +21875,11 @@ index = 1618, label = "C4H5-12 + C9H10-3 <=> C13H15-42", degeneracy = 1.0, - kinetics = Arrhenius( - A = (340, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (54.3502, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(340,'cm^3/(mol*s)'), n=2.41, Ea=(54.3502,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-HH;CsJ-CtCsH """, ) @@ -32278,18 +21888,11 @@ index = 1619, label = "C5H7-5 + C9H10-3 <=> C14H17-50", degeneracy = 1.0, - kinetics = Arrhenius( - A = (86.8, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (51.505, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(86.8,'cm^3/(mol*s)'), n=2.41, Ea=(51.505,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-HH;CsJ-CtCsCs """, ) @@ -32298,18 +21901,11 @@ index = 1620, label = "C2H3 + C9H10-3 <=> C11H13-31", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2280, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (24.7274, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2280,'cm^3/(mol*s)'), n=2.41, Ea=(24.7274,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-HH;CdsJ-H """, ) @@ -32318,18 +21914,11 @@ index = 1621, label = "C3H5 + C9H10-3 <=> C12H15-48", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1210, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (23.807, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1210,'cm^3/(mol*s)'), n=2.41, Ea=(23.807,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-HH;CdsJ-Cs """, ) @@ -32338,18 +21927,11 @@ index = 1622, label = "C9H10-3 + C6H5 <=> C15H15-14", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3610, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (14.7277, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3610,'cm^3/(mol*s)'), n=2.41, Ea=(14.7277,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-HH;CbJ """, ) @@ -32358,18 +21940,11 @@ index = 1623, label = "CH3 + C10H12-5 <=> C11H15-56", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3350, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (39.4133, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3350,'cm^3/(mol*s)'), n=2.41, Ea=(39.4133,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CsH;CsJ-HHH """, ) @@ -32378,18 +21953,11 @@ index = 1624, label = "C2H5 + C10H12-5 <=> C12H17-51", degeneracy = 1.0, - kinetics = Arrhenius( - A = (340, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (37.0284, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(340,'cm^3/(mol*s)'), n=2.41, Ea=(37.0284,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CsH;CsJ-CsHH """, ) @@ -32398,18 +21966,11 @@ index = 1625, label = "C10H12-5 + C3H7-2 <=> C13H19-33", degeneracy = 1.0, - kinetics = Arrhenius( - A = (273, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (32.0494, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(273,'cm^3/(mol*s)'), n=2.41, Ea=(32.0494,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CsH;CsJ-CsCsH """, ) @@ -32418,18 +21979,11 @@ index = 1626, label = "C10H12-5 + C4H9 <=> C14H21-14", degeneracy = 1.0, - kinetics = Arrhenius( - A = (202, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (26.1082, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(202,'cm^3/(mol*s)'), n=2.41, Ea=(26.1082,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CsH;CsJ-CsCsCs """, ) @@ -32438,18 +21992,11 @@ index = 1627, label = "allyl + C10H12-5 <=> C13H17-50", degeneracy = 2.0, - kinetics = Arrhenius( - A = (7080, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (65.7306, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7080,'cm^3/(mol*s)'), n=2.41, Ea=(65.7306,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CsH;CsJ-CdHH """, ) @@ -32458,18 +22005,11 @@ index = 1628, label = "C4H7-2 + C10H12-5 <=> C14H19-36", degeneracy = 1.0, - kinetics = Arrhenius( - A = (616, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (64.7265, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(616,'cm^3/(mol*s)'), n=2.41, Ea=(64.7265,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CsH;CsJ-CdCsH """, ) @@ -32478,18 +22018,11 @@ index = 1629, label = "C5H9 + C10H12-5 <=> C15H21-18", degeneracy = 1.0, - kinetics = Arrhenius( - A = (79.6, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (60.668, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(79.6,'cm^3/(mol*s)'), n=2.41, Ea=(60.668,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CsH;CsJ-CdCsCs """, ) @@ -32498,18 +22031,11 @@ index = 1630, label = "C5H7-3 + C10H12-5 <=> C15H19-40", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1240, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (84.7678, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1240,'cm^3/(mol*s)'), n=2.41, Ea=(84.7678,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CsH;CsJ-CdCdH """, ) @@ -32518,18 +22044,11 @@ index = 1631, label = "C6H9-12 + C10H12-5 <=> C16H21-22", degeneracy = 1.0, - kinetics = Arrhenius( - A = (424, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (84.0147, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(424,'cm^3/(mol*s)'), n=2.41, Ea=(84.0147,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CsH;CsJ-CdCdCs """, ) @@ -32538,18 +22057,11 @@ index = 1632, label = "C7H7-3 + C10H12-5 <=> C17H19-22", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1640, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (56.0238, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1640,'cm^3/(mol*s)'), n=2.41, Ea=(56.0238,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CsH;CsJ-CbHH """, ) @@ -32558,18 +22070,11 @@ index = 1633, label = "C8H9 + C10H12-5 <=> C18H21-17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (403, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (53.095, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(403,'cm^3/(mol*s)'), n=2.41, Ea=(53.095,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CsH;CsJ-CbCsH """, ) @@ -32578,18 +22083,11 @@ index = 1634, label = "C9H11-15 + C10H12-5 <=> C19H23-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (64.5, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (50.8356, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(64.5,'cm^3/(mol*s)'), n=2.41, Ea=(50.8356,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CsH;CsJ-CbCsCs """, ) @@ -32598,18 +22096,11 @@ index = 1635, label = "C3H3 + C10H12-5 <=> C13H15-43", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1520, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (54.9778, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1520,'cm^3/(mol*s)'), n=2.41, Ea=(54.9778,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CsH;CsJ-CtHH """, ) @@ -32618,18 +22109,11 @@ index = 1636, label = "C4H5-12 + C10H12-5 <=> C14H17-51", degeneracy = 1.0, - kinetics = Arrhenius( - A = (342, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (53.0531, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(342,'cm^3/(mol*s)'), n=2.41, Ea=(53.0531,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CsH;CsJ-CtCsH """, ) @@ -32638,18 +22122,11 @@ index = 1637, label = "C5H7-5 + C10H12-5 <=> C15H19-41", degeneracy = 1.0, - kinetics = Arrhenius( - A = (87.2, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (50.1662, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(87.2,'cm^3/(mol*s)'), n=2.41, Ea=(50.1662,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CsH;CsJ-CtCsCs """, ) @@ -32658,18 +22135,11 @@ index = 1638, label = "C2H3 + C10H12-5 <=> C12H15-49", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2290, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (23.3886, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2290,'cm^3/(mol*s)'), n=2.41, Ea=(23.3886,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CsH;CdsJ-H """, ) @@ -32678,18 +22148,11 @@ index = 1639, label = "C3H5 + C10H12-5 <=> C13H17-51", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1220, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (22.5099, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1220,'cm^3/(mol*s)'), n=2.41, Ea=(22.5099,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CsH;CdsJ-Cs """, ) @@ -32698,18 +22161,11 @@ index = 1640, label = "C6H5 + C10H12-5 <=> C16H17-21", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3620, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (13.4306, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3620,'cm^3/(mol*s)'), n=2.41, Ea=(13.4306,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CsH;CbJ """, ) @@ -32718,18 +22174,11 @@ index = 1641, label = "CH3 + C11H14-2 <=> C12H17-52", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4210, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (37.8234, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4210,'cm^3/(mol*s)'), n=2.41, Ea=(37.8234,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CsCs;CsJ-HHH """, ) @@ -32738,18 +22187,11 @@ index = 1642, label = "C2H5 + C11H14-2 <=> C13H19-34", degeneracy = 1.0, - kinetics = Arrhenius( - A = (428, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (35.4385, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(428,'cm^3/(mol*s)'), n=2.41, Ea=(35.4385,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CsCs;CsJ-CsHH """, ) @@ -32758,18 +22200,11 @@ index = 1643, label = "C11H14-2 + C3H7-2 <=> C14H21-15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (343, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (30.4177, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(343,'cm^3/(mol*s)'), n=2.41, Ea=(30.4177,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CsCs;CsJ-CsCsH """, ) @@ -32778,18 +22213,11 @@ index = 1644, label = "C11H14-2 + C4H9 <=> C15H23-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (254, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (24.5182, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(254,'cm^3/(mol*s)'), n=2.41, Ea=(24.5182,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CsCs;CsJ-CsCsCs """, ) @@ -32798,18 +22226,11 @@ index = 1645, label = "allyl + C11H14-2 <=> C14H19-37", degeneracy = 2.0, - kinetics = Arrhenius( - A = (8900, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (64.1407, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8900,'cm^3/(mol*s)'), n=2.41, Ea=(64.1407,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CsCs;CsJ-CdHH """, ) @@ -32818,18 +22239,11 @@ index = 1646, label = "C4H7-2 + C11H14-2 <=> C15H21-19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (775, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (63.1366, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(775,'cm^3/(mol*s)'), n=2.41, Ea=(63.1366,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CsCs;CsJ-CdCsH """, ) @@ -32838,18 +22252,11 @@ index = 1647, label = "C5H9 + C11H14-2 <=> C16H23-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (100, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (59.0362, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(100,'cm^3/(mol*s)'), n=2.41, Ea=(59.0362,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CsCs;CsJ-CdCsCs """, ) @@ -32858,18 +22265,11 @@ index = 1648, label = "C5H7-3 + C11H14-2 <=> C16H21-23", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1560, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (83.1361, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1560,'cm^3/(mol*s)'), n=2.41, Ea=(83.1361,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CsCs;CsJ-CdCdH """, ) @@ -32878,18 +22278,11 @@ index = 1649, label = "C6H9-12 + C11H14-2 <=> C17H23-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (533, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (82.383, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(533,'cm^3/(mol*s)'), n=2.41, Ea=(82.383,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CsCs;CsJ-CdCdCs """, ) @@ -32898,18 +22291,11 @@ index = 1650, label = "C7H7-3 + C11H14-2 <=> C18H21-18", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2060, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (54.392, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2060,'cm^3/(mol*s)'), n=2.41, Ea=(54.392,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CsCs;CsJ-CbHH """, ) @@ -32918,18 +22304,11 @@ index = 1651, label = "C8H9 + C11H14-2 <=> C19H23-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (507, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (51.505, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(507,'cm^3/(mol*s)'), n=2.41, Ea=(51.505,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CsCs;CsJ-CbCsH """, ) @@ -32938,18 +22317,11 @@ index = 1652, label = "C9H11-15 + C11H14-2 <=> C20H25-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (81.2, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (49.2457, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(81.2,'cm^3/(mol*s)'), n=2.41, Ea=(49.2457,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CsCs;CsJ-CbCsCs """, ) @@ -32958,18 +22330,11 @@ index = 1653, label = "C3H3 + C11H14-2 <=> C14H17-52", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1910, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (53.3878, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1910,'cm^3/(mol*s)'), n=2.41, Ea=(53.3878,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CsCs;CsJ-CtHH """, ) @@ -32978,18 +22343,11 @@ index = 1654, label = "C4H5-12 + C11H14-2 <=> C15H19-42", degeneracy = 1.0, - kinetics = Arrhenius( - A = (430, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (51.4214, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(430,'cm^3/(mol*s)'), n=2.41, Ea=(51.4214,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CsCs;CsJ-CtCsH """, ) @@ -32998,18 +22356,11 @@ index = 1655, label = "C5H7-5 + C11H14-2 <=> C16H21-24", degeneracy = 1.0, - kinetics = Arrhenius( - A = (110, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (48.5762, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(110,'cm^3/(mol*s)'), n=2.41, Ea=(48.5762,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CsCs;CsJ-CtCsCs """, ) @@ -33018,18 +22369,11 @@ index = 1656, label = "C2H3 + C11H14-2 <=> C13H17-52", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2880, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (21.7986, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2880,'cm^3/(mol*s)'), n=2.41, Ea=(21.7986,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CsCs;CdsJ-H """, ) @@ -33038,18 +22382,11 @@ index = 1657, label = "C3H5 + C11H14-2 <=> C14H19-38", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1530, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (20.92, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1530,'cm^3/(mol*s)'), n=2.41, Ea=(20.92,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CsCs;CdsJ-Cs """, ) @@ -33058,18 +22395,11 @@ index = 1658, label = "C6H5 + C11H14-2 <=> C17H19-23", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4560, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (11.7989, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4560,'cm^3/(mol*s)'), n=2.41, Ea=(11.7989,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CsCs;CbJ """, ) @@ -33078,18 +22408,11 @@ index = 1659, label = "CH3 + C11H12-4 <=> C12H15-50", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3760, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (27.7399, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3760,'cm^3/(mol*s)'), n=2.41, Ea=(27.7399,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdH;CsJ-HHH """, ) @@ -33098,18 +22421,11 @@ index = 1660, label = "C11H12-4 + C2H5 <=> C13H17-53", degeneracy = 1.0, - kinetics = Arrhenius( - A = (382, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (25.355, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(382,'cm^3/(mol*s)'), n=2.41, Ea=(25.355,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdH;CsJ-CsHH """, ) @@ -33118,18 +22434,11 @@ index = 1661, label = "C11H12-4 + C3H7-2 <=> C14H19-39", degeneracy = 1.0, - kinetics = Arrhenius( - A = (307, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (20.3761, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(307,'cm^3/(mol*s)'), n=2.41, Ea=(20.3761,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdH;CsJ-CsCsH """, ) @@ -33138,18 +22447,11 @@ index = 1662, label = "C11H12-4 + C4H9 <=> C15H21-20", degeneracy = 1.0, - kinetics = Arrhenius( - A = (227, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (14.4348, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(227,'cm^3/(mol*s)'), n=2.41, Ea=(14.4348,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdH;CsJ-CsCsCs """, ) @@ -33158,18 +22460,11 @@ index = 1663, label = "allyl + C11H12-4 <=> C14H17-53", degeneracy = 2.0, - kinetics = Arrhenius( - A = (7940, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (54.0573, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7940,'cm^3/(mol*s)'), n=2.41, Ea=(54.0573,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdH;CsJ-CdHH """, ) @@ -33178,18 +22473,11 @@ index = 1664, label = "C11H12-4 + C4H7-2 <=> C15H19-43", degeneracy = 1.0, - kinetics = Arrhenius( - A = (691, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (53.0531, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(691,'cm^3/(mol*s)'), n=2.41, Ea=(53.0531,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdH;CsJ-CdCsH """, ) @@ -33198,18 +22486,11 @@ index = 1665, label = "C11H12-4 + C5H9 <=> C16H21-25", degeneracy = 1.0, - kinetics = Arrhenius( - A = (89.4, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (48.9946, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(89.4,'cm^3/(mol*s)'), n=2.41, Ea=(48.9946,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdH;CsJ-CdCsCs """, ) @@ -33218,18 +22499,11 @@ index = 1666, label = "C11H12-4 + C5H7-3 <=> C16H19-23", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1390, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (73.0526, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1390,'cm^3/(mol*s)'), n=2.41, Ea=(73.0526,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdH;CsJ-CdCdH """, ) @@ -33238,18 +22512,11 @@ index = 1667, label = "C6H9-12 + C11H12-4 <=> C17H21-14", degeneracy = 1.0, - kinetics = Arrhenius( - A = (476, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (72.2995, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(476,'cm^3/(mol*s)'), n=2.41, Ea=(72.2995,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdH;CsJ-CdCdCs """, ) @@ -33258,18 +22525,11 @@ index = 1668, label = "C11H12-4 + C7H7-3 <=> C18H19-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1840, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (44.3086, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1840,'cm^3/(mol*s)'), n=2.41, Ea=(44.3086,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdH;CsJ-CbHH """, ) @@ -33278,18 +22538,11 @@ index = 1669, label = "C11H12-4 + C8H9 <=> C19H21-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (453, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (41.4216, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(453,'cm^3/(mol*s)'), n=2.41, Ea=(41.4216,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdH;CsJ-CbCsH """, ) @@ -33298,18 +22551,11 @@ index = 1670, label = "C11H12-4 + C9H11-15 <=> C20H23-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (72.4, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (39.1622, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(72.4,'cm^3/(mol*s)'), n=2.41, Ea=(39.1622,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdH;CsJ-CbCsCs """, ) @@ -33318,18 +22564,11 @@ index = 1671, label = "C3H3 + C11H12-4 <=> C14H15-20", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1700, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.3044, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1700,'cm^3/(mol*s)'), n=2.41, Ea=(43.3044,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdH;CsJ-CtHH """, ) @@ -33338,18 +22577,11 @@ index = 1672, label = "C4H5-12 + C11H12-4 <=> C15H17-26", degeneracy = 1.0, - kinetics = Arrhenius( - A = (384, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (41.3379, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(384,'cm^3/(mol*s)'), n=2.41, Ea=(41.3379,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdH;CsJ-CtCsH """, ) @@ -33358,18 +22590,11 @@ index = 1673, label = "C5H7-5 + C11H12-4 <=> C16H19-24", degeneracy = 1.0, - kinetics = Arrhenius( - A = (97.9, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (38.4928, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(97.9,'cm^3/(mol*s)'), n=2.41, Ea=(38.4928,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdH;CsJ-CtCsCs """, ) @@ -33378,18 +22603,11 @@ index = 1674, label = "C2H3 + C11H12-4 <=> C13H15-44", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2570, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (11.7152, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2570,'cm^3/(mol*s)'), n=2.41, Ea=(11.7152,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdH;CdsJ-H """, ) @@ -33398,18 +22616,11 @@ index = 1675, label = "C3H5 + C11H12-4 <=> C14H17-54", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1360, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (10.8366, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1360,'cm^3/(mol*s)'), n=2.41, Ea=(10.8366,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdH;CdsJ-Cs """, ) @@ -33418,18 +22629,11 @@ index = 1676, label = "C11H12-4 + C6H5 <=> C17H17-10", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4070, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (1.71544, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4070,'cm^3/(mol*s)'), n=2.41, Ea=(1.71544,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdH;CbJ """, ) @@ -33438,18 +22642,11 @@ index = 1677, label = "CH3 + C12H14-2 <=> C13H17-54", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4270, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (25.9826, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4270,'cm^3/(mol*s)'), n=2.41, Ea=(25.9826,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdCs;CsJ-HHH """, ) @@ -33458,18 +22655,11 @@ index = 1678, label = "C12H14-2 + C2H5 <=> C14H19-40", degeneracy = 1.0, - kinetics = Arrhenius( - A = (434, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (23.5978, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(434,'cm^3/(mol*s)'), n=2.41, Ea=(23.5978,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdCs;CsJ-CsHH """, ) @@ -33478,18 +22668,11 @@ index = 1679, label = "C12H14-2 + C3H7-2 <=> C15H21-21", degeneracy = 1.0, - kinetics = Arrhenius( - A = (348, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (18.6188, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(348,'cm^3/(mol*s)'), n=2.41, Ea=(18.6188,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdCs;CsJ-CsCsH """, ) @@ -33498,18 +22681,11 @@ index = 1680, label = "C12H14-2 + C4H9 <=> C16H23-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (258, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (12.6775, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(258,'cm^3/(mol*s)'), n=2.41, Ea=(12.6775,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdCs;CsJ-CsCsCs """, ) @@ -33518,18 +22694,11 @@ index = 1681, label = "allyl + C12H14-2 <=> C15H19-44", degeneracy = 2.0, - kinetics = Arrhenius( - A = (9020, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (52.3, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9020,'cm^3/(mol*s)'), n=2.41, Ea=(52.3,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdCs;CsJ-CdHH """, ) @@ -33538,18 +22707,11 @@ index = 1682, label = "C4H7-2 + C12H14-2 <=> C16H21-26", degeneracy = 1.0, - kinetics = Arrhenius( - A = (785, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (51.2958, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(785,'cm^3/(mol*s)'), n=2.41, Ea=(51.2958,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdCs;CsJ-CdCsH """, ) @@ -33558,18 +22720,11 @@ index = 1683, label = "C5H9 + C12H14-2 <=> C17H23-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (101, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (47.2374, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(101,'cm^3/(mol*s)'), n=2.41, Ea=(47.2374,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdCs;CsJ-CdCsCs """, ) @@ -33578,18 +22733,11 @@ index = 1684, label = "C5H7-3 + C12H14-2 <=> C17H21-15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1580, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (71.2954, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1580,'cm^3/(mol*s)'), n=2.41, Ea=(71.2954,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdCs;CsJ-CdCdH """, ) @@ -33598,18 +22746,11 @@ index = 1685, label = "C6H9-12 + C12H14-2 <=> C18H23-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (540, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (70.5422, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(540,'cm^3/(mol*s)'), n=2.41, Ea=(70.5422,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdCs;CsJ-CdCdCs """, ) @@ -33618,18 +22759,11 @@ index = 1686, label = "C12H14-2 + C7H7-3 <=> C19H21-10", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2090, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (42.5513, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2090,'cm^3/(mol*s)'), n=2.41, Ea=(42.5513,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdCs;CsJ-CbHH """, ) @@ -33638,18 +22772,11 @@ index = 1687, label = "C12H14-2 + C8H9 <=> C20H23-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (514, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (39.6643, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(514,'cm^3/(mol*s)'), n=2.41, Ea=(39.6643,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdCs;CsJ-CbCsH """, ) @@ -33658,18 +22785,11 @@ index = 1688, label = "C12H14-2 + C9H11-15 <=> C21H25-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (82.2, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (37.405, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(82.2,'cm^3/(mol*s)'), n=2.41, Ea=(37.405,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdCs;CsJ-CbCsCs """, ) @@ -33678,18 +22798,11 @@ index = 1689, label = "C3H3 + C12H14-2 <=> C15H17-27", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1930, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (41.5471, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1930,'cm^3/(mol*s)'), n=2.41, Ea=(41.5471,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdCs;CsJ-CtHH """, ) @@ -33698,18 +22811,11 @@ index = 1690, label = "C4H5-12 + C12H14-2 <=> C16H19-25", degeneracy = 1.0, - kinetics = Arrhenius( - A = (435, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (39.5806, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(435,'cm^3/(mol*s)'), n=2.41, Ea=(39.5806,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdCs;CsJ-CtCsH """, ) @@ -33718,18 +22824,11 @@ index = 1691, label = "C5H7-5 + C12H14-2 <=> C17H21-16", degeneracy = 1.0, - kinetics = Arrhenius( - A = (111, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (36.7355, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(111,'cm^3/(mol*s)'), n=2.41, Ea=(36.7355,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdCs;CsJ-CtCsCs """, ) @@ -33738,18 +22837,11 @@ index = 1692, label = "C2H3 + C12H14-2 <=> C14H17-55", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2920, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (9.95792, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2920,'cm^3/(mol*s)'), n=2.41, Ea=(9.95792,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdCs;CdsJ-H """, ) @@ -33758,18 +22850,11 @@ index = 1693, label = "C3H5 + C12H14-2 <=> C15H19-45", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1550, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (9.07928, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1550,'cm^3/(mol*s)'), n=2.41, Ea=(9.07928,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdCs;CdsJ-Cs """, ) @@ -33778,18 +22863,11 @@ index = 1694, label = "C12H14-2 + C6H5 <=> C18H19-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4610, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (0, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4610,'cm^3/(mol*s)'), n=2.41, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdCs;CbJ """, ) @@ -33798,18 +22876,11 @@ index = 1695, label = "CH3 + C13H14-2 <=> C14H17-56", degeneracy = 1.0, - kinetics = Arrhenius( - A = (13000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (22.217, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(13000,'cm^3/(mol*s)'), n=2.41, Ea=(22.217,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdCd;CsJ-HHH """, ) @@ -33818,18 +22889,11 @@ index = 1696, label = "C13H14-2 + C2H5 <=> C15H19-46", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1320, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (19.8322, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1320,'cm^3/(mol*s)'), n=2.41, Ea=(19.8322,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdCd;CsJ-CsHH """, ) @@ -33838,18 +22902,11 @@ index = 1697, label = "C13H14-2 + C3H7-2 <=> C16H21-27", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1060, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (14.8114, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1060,'cm^3/(mol*s)'), n=2.41, Ea=(14.8114,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdCd;CsJ-CsCsH """, ) @@ -33858,18 +22915,11 @@ index = 1698, label = "C13H14-2 + C4H9 <=> C17H23-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (785, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (8.91192, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(785,'cm^3/(mol*s)'), n=2.41, Ea=(8.91192,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdCd;CsJ-CsCsCs """, ) @@ -33878,18 +22928,11 @@ index = 1699, label = "C13H14-2 + allyl <=> C16H19-26", degeneracy = 2.0, - kinetics = Arrhenius( - A = (27400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (48.5344, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(27400,'cm^3/(mol*s)'), n=2.41, Ea=(48.5344,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdCd;CsJ-CdHH """, ) @@ -33898,18 +22941,11 @@ index = 1700, label = "C13H14-2 + C4H7-2 <=> C17H21-17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2390, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (47.5302, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2390,'cm^3/(mol*s)'), n=2.41, Ea=(47.5302,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdCd;CsJ-CdCsH """, ) @@ -33918,18 +22954,11 @@ index = 1701, label = "C13H14-2 + C5H9 <=> C18H23-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (309, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.4718, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(309,'cm^3/(mol*s)'), n=2.41, Ea=(43.4718,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdCd;CsJ-CdCsCs """, ) @@ -33938,18 +22967,11 @@ index = 1702, label = "C13H14-2 + C5H7-3 <=> C18H21-19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4820, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (67.5298, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4820,'cm^3/(mol*s)'), n=2.41, Ea=(67.5298,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdCd;CsJ-CdCdH """, ) @@ -33958,18 +22980,11 @@ index = 1703, label = "C6H9-12 + C13H14-2 <=> C19H23-10", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1650, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (66.7766, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1650,'cm^3/(mol*s)'), n=2.41, Ea=(66.7766,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdCd;CsJ-CdCdCs """, ) @@ -33978,18 +22993,11 @@ index = 1704, label = "C13H14-2 + C7H7-3 <=> C20H21-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6370, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (38.7857, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6370,'cm^3/(mol*s)'), n=2.41, Ea=(38.7857,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdCd;CsJ-CbHH """, ) @@ -33998,18 +23006,11 @@ index = 1705, label = "C13H14-2 + C8H9 <=> C21H23-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1570, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (35.8987, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1570,'cm^3/(mol*s)'), n=2.41, Ea=(35.8987,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdCd;CsJ-CbCsH """, ) @@ -34018,18 +23019,11 @@ index = 1706, label = "C13H14-2 + C9H11-15 <=> C22H25-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (251, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (33.6394, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(251,'cm^3/(mol*s)'), n=2.41, Ea=(33.6394,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdCd;CsJ-CbCsCs """, ) @@ -34038,18 +23032,11 @@ index = 1707, label = "C3H3 + C13H14-2 <=> C16H17-22", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5890, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (37.7815, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5890,'cm^3/(mol*s)'), n=2.41, Ea=(37.7815,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdCd;CsJ-CtHH """, ) @@ -34058,18 +23045,11 @@ index = 1708, label = "C4H5-12 + C13H14-2 <=> C17H19-24", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1330, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (35.815, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1330,'cm^3/(mol*s)'), n=2.41, Ea=(35.815,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdCd;CsJ-CtCsH """, ) @@ -34078,18 +23058,11 @@ index = 1709, label = "C5H7-5 + C13H14-2 <=> C18H21-20", degeneracy = 1.0, - kinetics = Arrhenius( - A = (339, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (32.9699, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(339,'cm^3/(mol*s)'), n=2.41, Ea=(32.9699,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdCd;CsJ-CtCsCs """, ) @@ -34098,18 +23071,11 @@ index = 1710, label = "C2H3 + C13H14-2 <=> C15H17-28", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8900, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (6.19232, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8900,'cm^3/(mol*s)'), n=2.41, Ea=(6.19232,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdCd;CdsJ-H """, ) @@ -34118,18 +23084,11 @@ index = 1711, label = "C3H5 + C13H14-2 <=> C16H19-27", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4720, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (5.31368, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4720,'cm^3/(mol*s)'), n=2.41, Ea=(5.31368,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdCd;CdsJ-Cs """, ) @@ -34138,18 +23097,11 @@ index = 1712, label = "C13H14-2 + C6H5 <=> C19H19-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (14100, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-3.80744, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(14100,'cm^3/(mol*s)'), n=2.41, Ea=(-3.80744,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdCd;CbJ """, ) @@ -34158,18 +23110,11 @@ index = 1713, label = "CH3 + C15H14-2 <=> C16H17-23", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1230, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (35.0619, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1230,'cm^3/(mol*s)'), n=2.41, Ea=(35.0619,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CbH;CsJ-HHH """, ) @@ -34178,18 +23123,11 @@ index = 1714, label = "C2H5 + C15H14-2 <=> C17H19-25", degeneracy = 1.0, - kinetics = Arrhenius( - A = (125, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (32.677, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(125,'cm^3/(mol*s)'), n=2.41, Ea=(32.677,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CbH;CsJ-CsHH """, ) @@ -34198,18 +23136,11 @@ index = 1715, label = "C15H14-2 + C3H7-2 <=> C18H21-21", degeneracy = 1.0, - kinetics = Arrhenius( - A = (100, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (27.6981, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(100,'cm^3/(mol*s)'), n=2.41, Ea=(27.6981,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CbH;CsJ-CsCsH """, ) @@ -34218,18 +23149,11 @@ index = 1716, label = "C15H14-2 + C4H9 <=> C19H23-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (74.1, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (21.7568, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(74.1,'cm^3/(mol*s)'), n=2.41, Ea=(21.7568,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CbH;CsJ-CsCsCs """, ) @@ -34238,18 +23162,11 @@ index = 1717, label = "allyl + C15H14-2 <=> C18H19-13", degeneracy = 2.0, - kinetics = Arrhenius( - A = (2600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (61.3793, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2600,'cm^3/(mol*s)'), n=2.41, Ea=(61.3793,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CbH;CsJ-CdHH """, ) @@ -34258,18 +23175,11 @@ index = 1718, label = "C4H7-2 + C15H14-2 <=> C19H21-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (226, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (60.3751, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(226,'cm^3/(mol*s)'), n=2.41, Ea=(60.3751,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CbH;CsJ-CdCsH """, ) @@ -34278,18 +23188,11 @@ index = 1719, label = "C5H9 + C15H14-2 <=> C20H23-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (29.2, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (56.3166, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(29.2,'cm^3/(mol*s)'), n=2.41, Ea=(56.3166,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CbH;CsJ-CdCsCs """, ) @@ -34298,18 +23201,11 @@ index = 1720, label = "C5H7-3 + C15H14-2 <=> C20H21-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (455, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (80.4165, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(455,'cm^3/(mol*s)'), n=2.41, Ea=(80.4165,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CbH;CsJ-CdCdH """, ) @@ -34318,18 +23214,11 @@ index = 1721, label = "C6H9-12 + C15H14-2 <=> C21H23-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (155, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (79.6634, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(155,'cm^3/(mol*s)'), n=2.41, Ea=(79.6634,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CbH;CsJ-CdCdCs """, ) @@ -34338,18 +23227,11 @@ index = 1722, label = "C7H7-3 + C15H14-2 <=> C22H21-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (601, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (51.6724, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(601,'cm^3/(mol*s)'), n=2.41, Ea=(51.6724,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CbH;CsJ-CbHH """, ) @@ -34358,18 +23240,11 @@ index = 1723, label = "C15H14-2 + C8H9 <=> C23H23-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (148, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (48.7436, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(148,'cm^3/(mol*s)'), n=2.41, Ea=(48.7436,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CbH;CsJ-CbCsH """, ) @@ -34378,18 +23253,11 @@ index = 1724, label = "C15H14-2 + C9H11-15 <=> C24H25-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (23.6, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (46.4842, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(23.6,'cm^3/(mol*s)'), n=2.41, Ea=(46.4842,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CbH;CsJ-CbCsCs """, ) @@ -34398,18 +23266,11 @@ index = 1725, label = "C3H3 + C15H14-2 <=> C18H17-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (555, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (50.6264, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(555,'cm^3/(mol*s)'), n=2.41, Ea=(50.6264,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CbH;CsJ-CtHH """, ) @@ -34418,18 +23279,11 @@ index = 1726, label = "C4H5-12 + C15H14-2 <=> C19H19-10", degeneracy = 1.0, - kinetics = Arrhenius( - A = (125, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (48.7018, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(125,'cm^3/(mol*s)'), n=2.41, Ea=(48.7018,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CbH;CsJ-CtCsH """, ) @@ -34438,18 +23292,11 @@ index = 1727, label = "C5H7-5 + C15H14-2 <=> C20H21-10", degeneracy = 1.0, - kinetics = Arrhenius( - A = (32, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (45.8148, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(32,'cm^3/(mol*s)'), n=2.41, Ea=(45.8148,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CbH;CsJ-CtCsCs """, ) @@ -34458,18 +23305,11 @@ index = 1728, label = "C2H3 + C15H14-2 <=> C17H17-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (840, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (19.0372, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(840,'cm^3/(mol*s)'), n=2.41, Ea=(19.0372,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CbH;CdsJ-H """, ) @@ -34478,18 +23318,11 @@ index = 1729, label = "C3H5 + C15H14-2 <=> C18H19-14", degeneracy = 1.0, - kinetics = Arrhenius( - A = (445, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (18.1586, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(445,'cm^3/(mol*s)'), n=2.41, Ea=(18.1586,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CbH;CdsJ-Cs """, ) @@ -34498,18 +23331,11 @@ index = 1730, label = "C6H5 + C15H14-2 <=> C21H19-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1330, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (9.07928, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1330,'cm^3/(mol*s)'), n=2.41, Ea=(9.07928,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CbH;CbJ """, ) @@ -34518,18 +23344,11 @@ index = 1731, label = "CH3 + C16H16 <=> C17H19-26", degeneracy = 2.0, - kinetics = Arrhenius( - A = (5200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (34.3925, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5200,'cm^3/(mol*s)'), n=2.41, Ea=(34.3925,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CbCs;CsJ-HHH """, ) @@ -34538,18 +23357,11 @@ index = 1732, label = "C2H5 + C16H16 <=> C18H21-22", degeneracy = 2.0, - kinetics = Arrhenius( - A = (530, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (32.0076, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(530,'cm^3/(mol*s)'), n=2.41, Ea=(32.0076,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CbCs;CsJ-CsHH """, ) @@ -34558,18 +23370,11 @@ index = 1733, label = "C16H16 + C3H7-2 <=> C19H23-12", degeneracy = 2.0, - kinetics = Arrhenius( - A = (424, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (27.0286, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(424,'cm^3/(mol*s)'), n=2.41, Ea=(27.0286,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CbCs;CsJ-CsCsH """, ) @@ -34578,18 +23383,11 @@ index = 1734, label = "C16H16 + C4H9 <=> C20H25-3", degeneracy = 2.0, - kinetics = Arrhenius( - A = (314, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (21.0874, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(314,'cm^3/(mol*s)'), n=2.41, Ea=(21.0874,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CbCs;CsJ-CsCsCs """, ) @@ -34598,18 +23396,11 @@ index = 1735, label = "allyl + C16H16 <=> C19H21-12", degeneracy = 4.0, - kinetics = Arrhenius( - A = (11000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (60.7098, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(11000,'cm^3/(mol*s)'), n=2.41, Ea=(60.7098,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CbCs;CsJ-CdHH """, ) @@ -34618,18 +23409,11 @@ index = 1736, label = "C4H7-2 + C16H16 <=> C20H23-9", degeneracy = 2.0, - kinetics = Arrhenius( - A = (958, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (59.7057, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(958,'cm^3/(mol*s)'), n=2.41, Ea=(59.7057,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CbCs;CsJ-CdCsH """, ) @@ -34638,18 +23422,11 @@ index = 1737, label = "C5H9 + C16H16 <=> C21H25-3", degeneracy = 2.0, - kinetics = Arrhenius( - A = (123.8, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (55.6472, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(123.8,'cm^3/(mol*s)'), n=2.41, Ea=(55.6472,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CbCs;CsJ-CdCsCs """, ) @@ -34658,18 +23435,11 @@ index = 1738, label = "C5H7-3 + C16H16 <=> C21H23-7", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1930, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (79.747, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1930,'cm^3/(mol*s)'), n=2.41, Ea=(79.747,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CbCs;CsJ-CdCdH """, ) @@ -34678,18 +23448,11 @@ index = 1739, label = "C6H9-12 + C16H16 <=> C22H25-3", degeneracy = 2.0, - kinetics = Arrhenius( - A = (658, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (78.9939, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(658,'cm^3/(mol*s)'), n=2.41, Ea=(78.9939,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CbCs;CsJ-CdCdCs """, ) @@ -34698,18 +23461,11 @@ index = 1740, label = "C7H7-3 + C16H16 <=> C23H23-4", degeneracy = 2.0, - kinetics = Arrhenius( - A = (2540, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (51.003, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2540,'cm^3/(mol*s)'), n=2.41, Ea=(51.003,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CbCs;CsJ-CbHH """, ) @@ -34718,18 +23474,11 @@ index = 1741, label = "C8H9 + C16H16 <=> C24H25-3", degeneracy = 2.0, - kinetics = Arrhenius( - A = (626, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (48.0742, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(626,'cm^3/(mol*s)'), n=2.41, Ea=(48.0742,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CbCs;CsJ-CbCsH """, ) @@ -34738,18 +23487,11 @@ index = 1742, label = "C16H16 + C9H11-15 <=> C25H27", degeneracy = 2.0, - kinetics = Arrhenius( - A = (100.2, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (45.8148, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(100.2,'cm^3/(mol*s)'), n=2.41, Ea=(45.8148,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CbCs;CsJ-CbCsCs """, ) @@ -34758,18 +23500,11 @@ index = 1743, label = "C3H3 + C16H16 <=> C19H19-11", degeneracy = 2.0, - kinetics = Arrhenius( - A = (2360, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (49.957, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2360,'cm^3/(mol*s)'), n=2.41, Ea=(49.957,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CbCs;CsJ-CtHH """, ) @@ -34778,18 +23513,11 @@ index = 1744, label = "C4H5-12 + C16H16 <=> C20H21-11", degeneracy = 2.0, - kinetics = Arrhenius( - A = (532, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (48.0323, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(532,'cm^3/(mol*s)'), n=2.41, Ea=(48.0323,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CbCs;CsJ-CtCsH """, ) @@ -34798,18 +23526,11 @@ index = 1745, label = "C5H7-5 + C16H16 <=> C21H23-8", degeneracy = 2.0, - kinetics = Arrhenius( - A = (135.6, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (45.1454, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(135.6,'cm^3/(mol*s)'), n=2.41, Ea=(45.1454,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CbCs;CsJ-CtCsCs """, ) @@ -34818,18 +23539,11 @@ index = 1746, label = "C2H3 + C16H16 <=> C18H19-15", degeneracy = 2.0, - kinetics = Arrhenius( - A = (3560, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (18.3678, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3560,'cm^3/(mol*s)'), n=2.41, Ea=(18.3678,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CbCs;CdsJ-H """, ) @@ -34838,18 +23552,11 @@ index = 1747, label = "C3H5 + C16H16 <=> C19H21-13", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1890, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (17.4891, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1890,'cm^3/(mol*s)'), n=2.41, Ea=(17.4891,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CbCs;CdsJ-Cs """, ) @@ -34858,18 +23565,11 @@ index = 1748, label = "C6H5 + C16H16 <=> C22H21-4", degeneracy = 2.0, - kinetics = Arrhenius( - A = (5620, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (8.40984, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5620,'cm^3/(mol*s)'), n=2.41, Ea=(8.40984,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CbCs;CbJ """, ) @@ -34878,18 +23578,11 @@ index = 1749, label = "C11H10-2 + CH3 <=> C12H13-25", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4880, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (27.0705, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4880,'cm^3/(mol*s)'), n=2.41, Ea=(27.0705,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CtH;CsJ-HHH """, ) @@ -34898,18 +23591,11 @@ index = 1750, label = "C11H10-2 + C2H5 <=> C13H15-45", degeneracy = 1.0, - kinetics = Arrhenius( - A = (495, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (24.6856, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(495,'cm^3/(mol*s)'), n=2.41, Ea=(24.6856,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CtH;CsJ-CsHH """, ) @@ -34918,18 +23604,11 @@ index = 1751, label = "C11H10-2 + C3H7-2 <=> C14H17-57", degeneracy = 1.0, - kinetics = Arrhenius( - A = (397, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (19.7066, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(397,'cm^3/(mol*s)'), n=2.41, Ea=(19.7066,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CtH;CsJ-CsCsH """, ) @@ -34938,18 +23617,11 @@ index = 1752, label = "C11H10-2 + C4H9 <=> C15H19-47", degeneracy = 1.0, - kinetics = Arrhenius( - A = (294, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (13.7654, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(294,'cm^3/(mol*s)'), n=2.41, Ea=(13.7654,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CtH;CsJ-CsCsCs """, ) @@ -34958,18 +23630,11 @@ index = 1753, label = "C11H10-2 + allyl <=> C14H15-21", degeneracy = 2.0, - kinetics = Arrhenius( - A = (10300, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (53.3878, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(10300,'cm^3/(mol*s)'), n=2.41, Ea=(53.3878,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CtH;CsJ-CdHH """, ) @@ -34978,18 +23643,11 @@ index = 1754, label = "C11H10-2 + C4H7-2 <=> C15H17-29", degeneracy = 1.0, - kinetics = Arrhenius( - A = (896, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (52.3837, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(896,'cm^3/(mol*s)'), n=2.41, Ea=(52.3837,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CtH;CsJ-CdCsH """, ) @@ -34998,18 +23656,11 @@ index = 1755, label = "C11H10-2 + C5H9 <=> C16H19-28", degeneracy = 1.0, - kinetics = Arrhenius( - A = (116, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (48.3252, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(116,'cm^3/(mol*s)'), n=2.41, Ea=(48.3252,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CtH;CsJ-CdCsCs """, ) @@ -35018,18 +23669,11 @@ index = 1756, label = "C11H10-2 + C5H7-3 <=> C16H17-24", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1810, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (72.425, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1810,'cm^3/(mol*s)'), n=2.41, Ea=(72.425,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CtH;CsJ-CdCdH """, ) @@ -35038,18 +23682,11 @@ index = 1757, label = "C11H10-2 + C6H9-12 <=> C17H19-27", degeneracy = 1.0, - kinetics = Arrhenius( - A = (617, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (71.6719, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(617,'cm^3/(mol*s)'), n=2.41, Ea=(71.6719,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CtH;CsJ-CdCdCs """, ) @@ -35058,18 +23695,11 @@ index = 1758, label = "C11H10-2 + C7H7-3 <=> C18H17-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2390, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.681, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2390,'cm^3/(mol*s)'), n=2.41, Ea=(43.681,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CtH;CsJ-CbHH """, ) @@ -35078,18 +23708,11 @@ index = 1759, label = "C11H10-2 + C8H9 <=> C19H19-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (587, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (40.7522, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(587,'cm^3/(mol*s)'), n=2.41, Ea=(40.7522,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CtH;CsJ-CbCsH """, ) @@ -35098,18 +23721,11 @@ index = 1760, label = "C11H10-2 + C9H11-15 <=> C20H21-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (93.9, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (38.4928, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(93.9,'cm^3/(mol*s)'), n=2.41, Ea=(38.4928,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CtH;CsJ-CbCsCs """, ) @@ -35118,18 +23734,11 @@ index = 1761, label = "C11H10-2 + C3H3 <=> C14H13-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2210, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (42.635, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2210,'cm^3/(mol*s)'), n=2.41, Ea=(42.635,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CtH;CsJ-CtHH """, ) @@ -35138,18 +23747,11 @@ index = 1762, label = "C11H10-2 + C4H5-12 <=> C15H15-15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (497, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (40.7103, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(497,'cm^3/(mol*s)'), n=2.41, Ea=(40.7103,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CtH;CsJ-CtCsH """, ) @@ -35158,18 +23760,11 @@ index = 1763, label = "C5H7-5 + C11H10-2 <=> C16H17-25", degeneracy = 1.0, - kinetics = Arrhenius( - A = (127, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (37.8652, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(127,'cm^3/(mol*s)'), n=2.41, Ea=(37.8652,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CtH;CsJ-CtCsCs """, ) @@ -35178,18 +23773,11 @@ index = 1764, label = "C11H10-2 + C2H3 <=> C13H13-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3340, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (11.0458, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3340,'cm^3/(mol*s)'), n=2.41, Ea=(11.0458,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CtH;CdsJ-H """, ) @@ -35198,18 +23786,11 @@ index = 1765, label = "C11H10-2 + C3H5 <=> C14H15-22", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1770, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (10.1671, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1770,'cm^3/(mol*s)'), n=2.41, Ea=(10.1671,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CtH;CdsJ-Cs """, ) @@ -35218,18 +23799,11 @@ index = 1766, label = "C11H10-2 + C6H5 <=> C17H15-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5270, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (1.08784, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5270,'cm^3/(mol*s)'), n=2.41, Ea=(1.08784,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CtH;CbJ """, ) @@ -35238,18 +23812,11 @@ index = 1767, label = "C12H12-3 + CH3 <=> C13H15-46", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4990, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (26.7358, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4990,'cm^3/(mol*s)'), n=2.41, Ea=(26.7358,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CtCs;CsJ-HHH """, ) @@ -35258,18 +23825,11 @@ index = 1768, label = "C12H12-3 + C2H5 <=> C14H17-58", degeneracy = 1.0, - kinetics = Arrhenius( - A = (507, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (24.3509, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(507,'cm^3/(mol*s)'), n=2.41, Ea=(24.3509,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CtCs;CsJ-CsHH """, ) @@ -35278,18 +23838,11 @@ index = 1769, label = "C12H12-3 + C3H7-2 <=> C15H19-48", degeneracy = 1.0, - kinetics = Arrhenius( - A = (407, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (19.3719, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(407,'cm^3/(mol*s)'), n=2.41, Ea=(19.3719,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CtCs;CsJ-CsCsH """, ) @@ -35298,18 +23851,11 @@ index = 1770, label = "C12H12-3 + C4H9 <=> C16H21-28", degeneracy = 1.0, - kinetics = Arrhenius( - A = (301, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (13.4306, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(301,'cm^3/(mol*s)'), n=2.41, Ea=(13.4306,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CtCs;CsJ-CsCsCs """, ) @@ -35318,18 +23864,11 @@ index = 1771, label = "C12H12-3 + allyl <=> C15H17-30", degeneracy = 2.0, - kinetics = Arrhenius( - A = (10540, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (53.0531, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(10540,'cm^3/(mol*s)'), n=2.41, Ea=(53.0531,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CtCs;CsJ-CdHH """, ) @@ -35338,18 +23877,11 @@ index = 1772, label = "C12H12-3 + C4H7-2 <=> C16H19-29", degeneracy = 1.0, - kinetics = Arrhenius( - A = (918, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (52.049, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(918,'cm^3/(mol*s)'), n=2.41, Ea=(52.049,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CtCs;CsJ-CdCsH """, ) @@ -35358,18 +23890,11 @@ index = 1773, label = "C12H12-3 + C5H9 <=> C17H21-18", degeneracy = 1.0, - kinetics = Arrhenius( - A = (119, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (47.9905, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(119,'cm^3/(mol*s)'), n=2.41, Ea=(47.9905,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CtCs;CsJ-CdCsCs """, ) @@ -35378,18 +23903,11 @@ index = 1774, label = "C12H12-3 + C5H7-3 <=> C17H19-28", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1850, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (72.0485, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1850,'cm^3/(mol*s)'), n=2.41, Ea=(72.0485,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CtCs;CsJ-CdCdH """, ) @@ -35398,18 +23916,11 @@ index = 1775, label = "C12H12-3 + C6H9-12 <=> C18H21-23", degeneracy = 1.0, - kinetics = Arrhenius( - A = (632, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (71.2954, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(632,'cm^3/(mol*s)'), n=2.41, Ea=(71.2954,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CtCs;CsJ-CdCdCs """, ) @@ -35418,18 +23929,11 @@ index = 1776, label = "C12H12-3 + C7H7-3 <=> C19H19-13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2440, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.3044, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2440,'cm^3/(mol*s)'), n=2.41, Ea=(43.3044,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CtCs;CsJ-CbHH """, ) @@ -35438,18 +23942,11 @@ index = 1777, label = "C12H12-3 + C8H9 <=> C20H21-13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (601, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (40.4174, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(601,'cm^3/(mol*s)'), n=2.41, Ea=(40.4174,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CtCs;CsJ-CbCsH """, ) @@ -35458,18 +23955,11 @@ index = 1778, label = "C12H12-3 + C9H11-15 <=> C21H23-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (96.1, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (38.1581, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(96.1,'cm^3/(mol*s)'), n=2.41, Ea=(38.1581,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CtCs;CsJ-CbCsCs """, ) @@ -35478,18 +23968,11 @@ index = 1779, label = "C3H3 + C12H12-3 <=> C15H15-16", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2260, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (42.3002, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2260,'cm^3/(mol*s)'), n=2.41, Ea=(42.3002,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CtCs;CsJ-CtHH """, ) @@ -35498,18 +23981,11 @@ index = 1780, label = "C4H5-12 + C12H12-3 <=> C16H17-26", degeneracy = 1.0, - kinetics = Arrhenius( - A = (509, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (40.3338, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(509,'cm^3/(mol*s)'), n=2.41, Ea=(40.3338,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CtCs;CsJ-CtCsH """, ) @@ -35518,18 +23994,11 @@ index = 1781, label = "C12H12-3 + C5H7-5 <=> C17H19-29", degeneracy = 1.0, - kinetics = Arrhenius( - A = (130, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (37.4886, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(130,'cm^3/(mol*s)'), n=2.41, Ea=(37.4886,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CtCs;CsJ-CtCsCs """, ) @@ -35538,18 +24007,11 @@ index = 1782, label = "C12H12-3 + C2H3 <=> C14H15-23", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3420, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (10.711, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3420,'cm^3/(mol*s)'), n=2.41, Ea=(10.711,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CtCs;CdsJ-H """, ) @@ -35558,18 +24020,11 @@ index = 1783, label = "C12H12-3 + C3H5 <=> C15H17-31", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1810, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (9.8324, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1810,'cm^3/(mol*s)'), n=2.41, Ea=(9.8324,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CtCs;CdsJ-Cs """, ) @@ -35578,18 +24033,11 @@ index = 1784, label = "C12H12-3 + C6H5 <=> C18H17-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (0.71128, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5400,'cm^3/(mol*s)'), n=2.41, Ea=(0.71128,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CtCs;CbJ """, ) @@ -35598,18 +24046,11 @@ index = 1785, label = "CH3 + C10H10-17 <=> C11H13-32", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.0952, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3600,'cm^3/(mol*s)'), n=2.41, Ea=(43.0952,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Ca;CsJ-HHH """, ) @@ -35618,18 +24059,11 @@ index = 1786, label = "C10H10-17 + C2H5 <=> C12H15-51", degeneracy = 1.0, - kinetics = Arrhenius( - A = (366, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (40.7103, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(366,'cm^3/(mol*s)'), n=2.41, Ea=(40.7103,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Ca;CsJ-CsHH """, ) @@ -35638,18 +24072,11 @@ index = 1787, label = "C10H10-17 + C3H7-2 <=> C13H17-55", degeneracy = 1.0, - kinetics = Arrhenius( - A = (294, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (35.7314, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(294,'cm^3/(mol*s)'), n=2.41, Ea=(35.7314,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Ca;CsJ-CsCsH """, ) @@ -35658,18 +24085,11 @@ index = 1788, label = "C10H10-17 + C4H9 <=> C14H19-41", degeneracy = 1.0, - kinetics = Arrhenius( - A = (217, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (29.7901, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(217,'cm^3/(mol*s)'), n=2.41, Ea=(29.7901,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Ca;CsJ-CsCsCs """, ) @@ -35678,18 +24098,11 @@ index = 1789, label = "C10H10-17 + allyl <=> C13H15-47", degeneracy = 2.0, - kinetics = Arrhenius( - A = (7600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (69.4126, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7600,'cm^3/(mol*s)'), n=2.41, Ea=(69.4126,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Ca;CsJ-CdHH """, ) @@ -35698,18 +24111,11 @@ index = 1790, label = "C10H10-17 + C4H7-2 <=> C14H17-59", degeneracy = 1.0, - kinetics = Arrhenius( - A = (662, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (68.4084, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(662,'cm^3/(mol*s)'), n=2.41, Ea=(68.4084,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Ca;CsJ-CdCsH """, ) @@ -35718,18 +24124,11 @@ index = 1791, label = "C10H10-17 + C5H9 <=> C15H19-49", degeneracy = 1.0, - kinetics = Arrhenius( - A = (85.6, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (64.3499, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(85.6,'cm^3/(mol*s)'), n=2.41, Ea=(64.3499,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Ca;CsJ-CdCsCs """, ) @@ -35738,18 +24137,11 @@ index = 1792, label = "C10H10-17 + C5H7-3 <=> C15H17-32", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1340, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (88.4498, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1340,'cm^3/(mol*s)'), n=2.41, Ea=(88.4498,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Ca;CsJ-CdCdH """, ) @@ -35758,18 +24150,11 @@ index = 1793, label = "C10H10-17 + C6H9-12 <=> C16H19-30", degeneracy = 1.0, - kinetics = Arrhenius( - A = (456, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (87.6548, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(456,'cm^3/(mol*s)'), n=2.41, Ea=(87.6548,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Ca;CsJ-CdCdCs """, ) @@ -35778,18 +24163,11 @@ index = 1794, label = "C10H10-17 + C7H7-3 <=> C17H17-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1760, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (59.7057, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1760,'cm^3/(mol*s)'), n=2.41, Ea=(59.7057,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Ca;CsJ-CbHH """, ) @@ -35798,18 +24176,11 @@ index = 1795, label = "C10H10-17 + C8H9 <=> C18H19-16", degeneracy = 1.0, - kinetics = Arrhenius( - A = (434, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (56.7769, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(434,'cm^3/(mol*s)'), n=2.41, Ea=(56.7769,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Ca;CsJ-CbCsH """, ) @@ -35818,18 +24189,11 @@ index = 1796, label = "C10H10-17 + C9H11-15 <=> C19H21-14", degeneracy = 1.0, - kinetics = Arrhenius( - A = (69.4, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (54.5175, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(69.4,'cm^3/(mol*s)'), n=2.41, Ea=(54.5175,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Ca;CsJ-CbCsCs """, ) @@ -35838,18 +24202,11 @@ index = 1797, label = "C3H3 + C10H10-17 <=> C13H13-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1630, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (58.6597, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1630,'cm^3/(mol*s)'), n=2.41, Ea=(58.6597,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Ca;CsJ-CtHH """, ) @@ -35858,18 +24215,11 @@ index = 1798, label = "C4H5-12 + C10H10-17 <=> C14H15-24", degeneracy = 1.0, - kinetics = Arrhenius( - A = (367, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (56.735, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(367,'cm^3/(mol*s)'), n=2.41, Ea=(56.735,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Ca;CsJ-CtCsH """, ) @@ -35878,18 +24228,11 @@ index = 1799, label = "C5H7-5 + C10H10-17 <=> C15H17-33", degeneracy = 1.0, - kinetics = Arrhenius( - A = (93.7, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (53.8481, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(93.7,'cm^3/(mol*s)'), n=2.41, Ea=(53.8481,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Ca;CsJ-CtCsCs """, ) @@ -35898,18 +24241,11 @@ index = 1800, label = "C2H3 + C10H10-17 <=> C12H13-26", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2460, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (27.0705, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2460,'cm^3/(mol*s)'), n=2.41, Ea=(27.0705,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Ca;CdsJ-H """, ) @@ -35918,18 +24254,11 @@ index = 1801, label = "C10H10-17 + C3H5 <=> C13H15-48", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1310, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (26.1918, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1310,'cm^3/(mol*s)'), n=2.41, Ea=(26.1918,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Ca;CdsJ-Cs """, ) @@ -35938,18 +24267,11 @@ index = 1802, label = "C10H10-17 + C6H5 <=> C16H15-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3890, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (17.1126, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3890,'cm^3/(mol*s)'), n=2.41, Ea=(17.1126,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Ca;CbJ """, ) @@ -35958,18 +24280,11 @@ index = 1803, label = "C4H4-4 + CH3 <=> C5H7-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (14600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (27.1542, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(14600,'cm^3/(mol*s)'), n=2.41, Ea=(27.1542,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-HH;CsJ-HHH """, ) @@ -35978,18 +24293,11 @@ index = 1804, label = "C4H4-4 + C2H5 <=> C6H9-23", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1480, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (24.8111, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1480,'cm^3/(mol*s)'), n=2.41, Ea=(24.8111,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-HH;CsJ-CsHH """, ) @@ -35998,18 +24306,11 @@ index = 1805, label = "C4H4-4 + C3H7-2 <=> C7H11-35", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1190, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (19.7903, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1190,'cm^3/(mol*s)'), n=2.41, Ea=(19.7903,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-HH;CsJ-CsCsH """, ) @@ -36018,18 +24319,11 @@ index = 1806, label = "C4H4-4 + C4H9 <=> C8H13-44", degeneracy = 1.0, - kinetics = Arrhenius( - A = (880, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (13.8909, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(880,'cm^3/(mol*s)'), n=2.41, Ea=(13.8909,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-HH;CsJ-CsCsCs """, ) @@ -36038,18 +24332,11 @@ index = 1807, label = "C4H4-4 + allyl <=> C7H9-40", degeneracy = 2.0, - kinetics = Arrhenius( - A = (30800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (53.4715, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(30800,'cm^3/(mol*s)'), n=2.41, Ea=(53.4715,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-HH;CsJ-CdHH """, ) @@ -36058,18 +24345,11 @@ index = 1808, label = "C4H4-4 + C4H7-2 <=> C8H11-28", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2680, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (52.4674, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2680,'cm^3/(mol*s)'), n=2.41, Ea=(52.4674,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-HH;CsJ-CdCsH """, ) @@ -36078,18 +24358,11 @@ index = 1809, label = "C4H4-4 + C5H9 <=> C9H13-45", degeneracy = 1.0, - kinetics = Arrhenius( - A = (347, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (48.4089, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(347,'cm^3/(mol*s)'), n=2.41, Ea=(48.4089,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-HH;CsJ-CdCsCs """, ) @@ -36098,18 +24371,11 @@ index = 1810, label = "C4H4-4 + C5H7-3 <=> C9H11-33", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5410, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (72.5087, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5410,'cm^3/(mol*s)'), n=2.41, Ea=(72.5087,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-HH;CsJ-CdCdH """, ) @@ -36118,18 +24384,11 @@ index = 1811, label = "C4H4-4 + C6H9-12 <=> C10H13-43", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1850, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (71.7556, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1850,'cm^3/(mol*s)'), n=2.41, Ea=(71.7556,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-HH;CsJ-CdCdCs """, ) @@ -36138,18 +24397,11 @@ index = 1812, label = "C4H4-4 + C7H7-3 <=> C11H11-10", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7140, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.7646, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7140,'cm^3/(mol*s)'), n=2.41, Ea=(43.7646,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-HH;CsJ-CbHH """, ) @@ -36158,18 +24410,11 @@ index = 1813, label = "C4H4-4 + C8H9 <=> C12H13-27", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1760, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (40.8358, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1760,'cm^3/(mol*s)'), n=2.41, Ea=(40.8358,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-HH;CsJ-CbCsH """, ) @@ -36178,18 +24423,11 @@ index = 1814, label = "C4H4-4 + C9H11-15 <=> C13H15-49", degeneracy = 1.0, - kinetics = Arrhenius( - A = (281, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (38.5765, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(281,'cm^3/(mol*s)'), n=2.41, Ea=(38.5765,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-HH;CsJ-CbCsCs """, ) @@ -36198,18 +24436,11 @@ index = 1815, label = "C3H3 + C4H4-4 <=> C7H7-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (42.7186, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6600,'cm^3/(mol*s)'), n=2.41, Ea=(42.7186,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-HH;CsJ-CtHH """, ) @@ -36218,18 +24449,11 @@ index = 1816, label = "C4H4-4 + C4H5-12 <=> C8H9-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1490, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (40.794, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1490,'cm^3/(mol*s)'), n=2.41, Ea=(40.794,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-HH;CsJ-CtCsH """, ) @@ -36238,18 +24462,11 @@ index = 1817, label = "C5H7-5 + C4H4-4 <=> C9H11-34", degeneracy = 1.0, - kinetics = Arrhenius( - A = (380, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (37.9489, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(380,'cm^3/(mol*s)'), n=2.41, Ea=(37.9489,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-HH;CsJ-CtCsCs """, ) @@ -36258,18 +24475,11 @@ index = 1818, label = "C4H4-4 + C2H3 <=> C6H7-10", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9980, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (11.1713, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9980,'cm^3/(mol*s)'), n=2.41, Ea=(11.1713,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-HH;CdsJ-H """, ) @@ -36278,18 +24488,11 @@ index = 1819, label = "C4H4-4 + C3H5 <=> C7H9-41", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5290, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (10.2508, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5290,'cm^3/(mol*s)'), n=2.41, Ea=(10.2508,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-HH;CdsJ-Cs """, ) @@ -36298,18 +24501,11 @@ index = 1820, label = "C4H4-4 + C6H5 <=> C10H9-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (15800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (1.17152, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(15800,'cm^3/(mol*s)'), n=2.41, Ea=(1.17152,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-HH;CbJ """, ) @@ -36318,18 +24514,11 @@ index = 1821, label = "C5H6-6 + CH3 <=> C6H9-24", degeneracy = 1.0, - kinetics = Arrhenius( - A = (14600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (25.8571, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(14600,'cm^3/(mol*s)'), n=2.41, Ea=(25.8571,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CsH;CsJ-HHH """, ) @@ -36338,18 +24527,11 @@ index = 1822, label = "C5H6-6 + C2H5 <=> C7H11-36", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1490, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (23.4722, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1490,'cm^3/(mol*s)'), n=2.41, Ea=(23.4722,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CsH;CsJ-CsHH """, ) @@ -36358,18 +24540,11 @@ index = 1823, label = "C5H6-6 + C3H7-2 <=> C8H13-45", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1190, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (18.4933, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1190,'cm^3/(mol*s)'), n=2.41, Ea=(18.4933,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CsH;CsJ-CsCsH """, ) @@ -36378,18 +24553,11 @@ index = 1824, label = "C5H6-6 + C4H9 <=> C9H15-47", degeneracy = 1.0, - kinetics = Arrhenius( - A = (884, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (12.552, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(884,'cm^3/(mol*s)'), n=2.41, Ea=(12.552,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CsH;CsJ-CsCsCs """, ) @@ -36398,18 +24566,11 @@ index = 1825, label = "C5H6-6 + allyl <=> C8H11-29", degeneracy = 2.0, - kinetics = Arrhenius( - A = (31000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (52.1745, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(31000,'cm^3/(mol*s)'), n=2.41, Ea=(52.1745,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CsH;CsJ-CdHH """, ) @@ -36418,18 +24579,11 @@ index = 1826, label = "C5H6-6 + C4H7-2 <=> C9H13-46", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2690, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (51.1703, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2690,'cm^3/(mol*s)'), n=2.41, Ea=(51.1703,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CsH;CsJ-CdCsH """, ) @@ -36438,18 +24592,11 @@ index = 1827, label = "C5H6-6 + C5H9 <=> C10H15-51", degeneracy = 1.0, - kinetics = Arrhenius( - A = (348, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (47.1118, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(348,'cm^3/(mol*s)'), n=2.41, Ea=(47.1118,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CsH;CsJ-CdCsCs """, ) @@ -36458,18 +24605,11 @@ index = 1828, label = "C5H6-6 + C5H7-3 <=> C10H13-44", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5430, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (71.2117, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5430,'cm^3/(mol*s)'), n=2.41, Ea=(71.2117,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CsH;CsJ-CdCdH """, ) @@ -36478,18 +24618,11 @@ index = 1829, label = "C5H6-6 + C6H9-12 <=> C11H15-57", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1850, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (70.4586, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1850,'cm^3/(mol*s)'), n=2.41, Ea=(70.4586,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CsH;CsJ-CdCdCs """, ) @@ -36498,18 +24631,11 @@ index = 1830, label = "C5H6-6 + C7H7-3 <=> C12H13-28", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7170, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (42.4676, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7170,'cm^3/(mol*s)'), n=2.41, Ea=(42.4676,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CsH;CsJ-CbHH """, ) @@ -36518,18 +24644,11 @@ index = 1831, label = "C5H6-6 + C8H9 <=> C13H15-50", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1760, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (39.5388, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1760,'cm^3/(mol*s)'), n=2.41, Ea=(39.5388,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CsH;CsJ-CbCsH """, ) @@ -36538,18 +24657,11 @@ index = 1832, label = "C5H6-6 + C9H11-15 <=> C14H17-60", degeneracy = 1.0, - kinetics = Arrhenius( - A = (282, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (37.2794, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(282,'cm^3/(mol*s)'), n=2.41, Ea=(37.2794,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CsH;CsJ-CbCsCs """, ) @@ -36558,18 +24670,11 @@ index = 1833, label = "C5H6-6 + C3H3 <=> C8H9-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6630, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (41.4216, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6630,'cm^3/(mol*s)'), n=2.41, Ea=(41.4216,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CsH;CsJ-CtHH """, ) @@ -36578,18 +24683,11 @@ index = 1834, label = "C4H5-12 + C5H6-6 <=> C9H11-35", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1490, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (39.497, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1490,'cm^3/(mol*s)'), n=2.41, Ea=(39.497,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CsH;CsJ-CtCsH """, ) @@ -36598,18 +24696,11 @@ index = 1835, label = "C5H7-5 + C5H6-6 <=> C10H13-45", degeneracy = 1.0, - kinetics = Arrhenius( - A = (381, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (36.61, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(381,'cm^3/(mol*s)'), n=2.41, Ea=(36.61,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CsH;CsJ-CtCsCs """, ) @@ -36618,18 +24709,11 @@ index = 1836, label = "C5H6-6 + C2H3 <=> C7H9-42", degeneracy = 1.0, - kinetics = Arrhenius( - A = (10000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (9.8324, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(10000,'cm^3/(mol*s)'), n=2.41, Ea=(9.8324,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CsH;CdsJ-H """, ) @@ -36638,18 +24722,11 @@ index = 1837, label = "C5H6-6 + C3H5 <=> C8H11-30", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5310, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (8.95376, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5310,'cm^3/(mol*s)'), n=2.41, Ea=(8.95376,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CsH;CdsJ-Cs """, ) @@ -36658,18 +24735,11 @@ index = 1838, label = "C5H6-6 + C6H5 <=> C11H11-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (15800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-0.12552, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(15800,'cm^3/(mol*s)'), n=2.41, Ea=(-0.12552,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CsH;CbJ """, ) @@ -36678,18 +24748,11 @@ index = 1839, label = "C6H8-12 + CH3 <=> C7H11-37", degeneracy = 1.0, - kinetics = Arrhenius( - A = (18400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (24.2672, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(18400,'cm^3/(mol*s)'), n=2.41, Ea=(24.2672,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CsCs;CsJ-HHH """, ) @@ -36698,18 +24761,11 @@ index = 1840, label = "C6H8-12 + C2H5 <=> C8H13-46", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1870, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (21.8823, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1870,'cm^3/(mol*s)'), n=2.41, Ea=(21.8823,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CsCs;CsJ-CsHH """, ) @@ -36718,18 +24774,11 @@ index = 1841, label = "C6H8-12 + C3H7-2 <=> C9H15-48", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1500, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (16.8615, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1500,'cm^3/(mol*s)'), n=2.41, Ea=(16.8615,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CsCs;CsJ-CsCsH """, ) @@ -36738,18 +24787,11 @@ index = 1842, label = "C6H8-12 + C4H9 <=> C10H17-36", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1110, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (10.9621, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1110,'cm^3/(mol*s)'), n=2.41, Ea=(10.9621,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CsCs;CsJ-CsCsCs """, ) @@ -36758,18 +24800,11 @@ index = 1843, label = "C6H8-12 + allyl <=> C9H13-47", degeneracy = 2.0, - kinetics = Arrhenius( - A = (38800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (50.5846, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(38800,'cm^3/(mol*s)'), n=2.41, Ea=(50.5846,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CsCs;CsJ-CdHH """, ) @@ -36778,18 +24813,11 @@ index = 1844, label = "C6H8-12 + C4H7-2 <=> C10H15-52", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3390, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (49.5804, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3390,'cm^3/(mol*s)'), n=2.41, Ea=(49.5804,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CsCs;CsJ-CdCsH """, ) @@ -36798,18 +24826,11 @@ index = 1845, label = "C6H8-12 + C5H9 <=> C11H17-41", degeneracy = 1.0, - kinetics = Arrhenius( - A = (438, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (45.4801, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(438,'cm^3/(mol*s)'), n=2.41, Ea=(45.4801,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CsCs;CsJ-CdCsCs """, ) @@ -36818,18 +24839,11 @@ index = 1846, label = "C6H8-12 + C5H7-3 <=> C11H15-58", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6830, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (69.5799, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6830,'cm^3/(mol*s)'), n=2.41, Ea=(69.5799,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CsCs;CsJ-CdCdH """, ) @@ -36838,18 +24852,11 @@ index = 1847, label = "C6H8-12 + C6H9-12 <=> C12H17-53", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2330, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (68.8268, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2330,'cm^3/(mol*s)'), n=2.41, Ea=(68.8268,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CsCs;CsJ-CdCdCs """, ) @@ -36858,18 +24865,11 @@ index = 1848, label = "C6H8-12 + C7H7-3 <=> C13H15-51", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9020, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (40.8358, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9020,'cm^3/(mol*s)'), n=2.41, Ea=(40.8358,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CsCs;CsJ-CbHH """, ) @@ -36878,18 +24878,11 @@ index = 1849, label = "C6H8-12 + C8H9 <=> C14H17-61", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2220, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (37.9489, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2220,'cm^3/(mol*s)'), n=2.41, Ea=(37.9489,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CsCs;CsJ-CbCsH """, ) @@ -36898,18 +24891,11 @@ index = 1850, label = "C6H8-12 + C9H11-15 <=> C15H19-50", degeneracy = 1.0, - kinetics = Arrhenius( - A = (355, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (35.6895, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(355,'cm^3/(mol*s)'), n=2.41, Ea=(35.6895,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CsCs;CsJ-CbCsCs """, ) @@ -36918,18 +24904,11 @@ index = 1851, label = "C3H3 + C6H8-12 <=> C9H11-36", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8340, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (39.8317, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8340,'cm^3/(mol*s)'), n=2.41, Ea=(39.8317,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CsCs;CsJ-CtHH """, ) @@ -36938,18 +24917,11 @@ index = 1852, label = "C4H5-12 + C6H8-12 <=> C10H13-46", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1880, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (37.8652, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1880,'cm^3/(mol*s)'), n=2.41, Ea=(37.8652,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CsCs;CsJ-CtCsH """, ) @@ -36958,18 +24930,11 @@ index = 1853, label = "C5H7-5 + C6H8-12 <=> C11H15-59", degeneracy = 1.0, - kinetics = Arrhenius( - A = (480, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (35.0201, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(480,'cm^3/(mol*s)'), n=2.41, Ea=(35.0201,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CsCs;CsJ-CtCsCs """, ) @@ -36978,18 +24943,11 @@ index = 1854, label = "C6H8-12 + C2H3 <=> C8H11-31", degeneracy = 1.0, - kinetics = Arrhenius( - A = (12600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (8.24248, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(12600,'cm^3/(mol*s)'), n=2.41, Ea=(8.24248,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CsCs;CdsJ-H """, ) @@ -36998,18 +24956,11 @@ index = 1855, label = "C6H8-12 + C3H5 <=> C9H13-48", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6690, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (7.322, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6690,'cm^3/(mol*s)'), n=2.41, Ea=(7.322,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CsCs;CdsJ-Cs """, ) @@ -37018,18 +24969,11 @@ index = 1856, label = "C6H8-12 + C6H5 <=> C12H13-29", degeneracy = 1.0, - kinetics = Arrhenius( - A = (19900, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-1.75728, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(19900,'cm^3/(mol*s)'), n=2.41, Ea=(-1.75728,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CsCs;CbJ """, ) @@ -37038,18 +24982,11 @@ index = 1857, label = "C6H6-7 + CH3 <=> C7H9-43", degeneracy = 1.0, - kinetics = Arrhenius( - A = (16400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (14.1838, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(16400,'cm^3/(mol*s)'), n=2.41, Ea=(14.1838,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdH;CsJ-HHH """, ) @@ -37058,18 +24995,11 @@ index = 1858, label = "C6H6-7 + C2H5 <=> C8H11-32", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1670, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (11.7989, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1670,'cm^3/(mol*s)'), n=2.41, Ea=(11.7989,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdH;CsJ-CsHH """, ) @@ -37078,18 +25008,11 @@ index = 1859, label = "C6H6-7 + C3H7-2 <=> C9H13-49", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1340, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (6.77808, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1340,'cm^3/(mol*s)'), n=2.41, Ea=(6.77808,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdH;CsJ-CsCsH """, ) @@ -37098,18 +25021,11 @@ index = 1860, label = "C6H6-7 + C4H9 <=> C10H15-53", degeneracy = 1.0, - kinetics = Arrhenius( - A = (993, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (0.87864, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(993,'cm^3/(mol*s)'), n=2.41, Ea=(0.87864,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdH;CsJ-CsCsCs """, ) @@ -37118,18 +25034,11 @@ index = 1861, label = "C6H6-7 + allyl <=> C9H11-37", degeneracy = 2.0, - kinetics = Arrhenius( - A = (34800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (40.5011, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(34800,'cm^3/(mol*s)'), n=2.41, Ea=(40.5011,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdH;CsJ-CdHH """, ) @@ -37138,18 +25047,11 @@ index = 1862, label = "C6H6-7 + C4H7-2 <=> C10H13-47", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3020, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (39.497, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3020,'cm^3/(mol*s)'), n=2.41, Ea=(39.497,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdH;CsJ-CdCsH """, ) @@ -37158,18 +25060,11 @@ index = 1863, label = "C6H6-7 + C5H9 <=> C11H15-60", degeneracy = 1.0, - kinetics = Arrhenius( - A = (391, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (35.4385, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(391,'cm^3/(mol*s)'), n=2.41, Ea=(35.4385,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdH;CsJ-CdCsCs """, ) @@ -37178,18 +25073,11 @@ index = 1864, label = "C6H6-7 + C5H7-3 <=> C11H13-33", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6100, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (59.4965, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6100,'cm^3/(mol*s)'), n=2.41, Ea=(59.4965,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdH;CsJ-CdCdH """, ) @@ -37198,18 +25086,11 @@ index = 1865, label = "C6H6-7 + C6H9-12 <=> C12H15-52", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2080, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (58.7434, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2080,'cm^3/(mol*s)'), n=2.41, Ea=(58.7434,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdH;CsJ-CdCdCs """, ) @@ -37218,18 +25099,11 @@ index = 1866, label = "C6H6-7 + C7H7-3 <=> C13H13-13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8050, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (30.7524, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8050,'cm^3/(mol*s)'), n=2.41, Ea=(30.7524,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdH;CsJ-CbHH """, ) @@ -37238,18 +25112,11 @@ index = 1867, label = "C6H6-7 + C8H9 <=> C14H15-25", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1980, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (27.8654, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1980,'cm^3/(mol*s)'), n=2.41, Ea=(27.8654,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdH;CsJ-CbCsH """, ) @@ -37258,18 +25125,11 @@ index = 1868, label = "C6H6-7 + C9H11-15 <=> C15H17-34", degeneracy = 1.0, - kinetics = Arrhenius( - A = (317, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (25.6061, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(317,'cm^3/(mol*s)'), n=2.41, Ea=(25.6061,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdH;CsJ-CbCsCs """, ) @@ -37278,18 +25138,11 @@ index = 1869, label = "C3H3 + C6H6-7 <=> C9H9-22", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7440, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (29.7482, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7440,'cm^3/(mol*s)'), n=2.41, Ea=(29.7482,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdH;CsJ-CtHH """, ) @@ -37298,18 +25151,11 @@ index = 1870, label = "C6H6-7 + C4H5-12 <=> C10H11-35", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1680, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (27.7818, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1680,'cm^3/(mol*s)'), n=2.41, Ea=(27.7818,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdH;CsJ-CtCsH """, ) @@ -37318,18 +25164,11 @@ index = 1871, label = "C6H6-7 + C5H7-5 <=> C11H13-34", degeneracy = 1.0, - kinetics = Arrhenius( - A = (428, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (24.9366, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(428,'cm^3/(mol*s)'), n=2.41, Ea=(24.9366,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdH;CsJ-CtCsCs """, ) @@ -37338,18 +25177,11 @@ index = 1872, label = "C6H6-7 + C2H3 <=> C8H9-10", degeneracy = 1.0, - kinetics = Arrhenius( - A = (11300, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-1.84096, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(11300,'cm^3/(mol*s)'), n=2.41, Ea=(-1.84096,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdH;CdsJ-H """, ) @@ -37358,18 +25190,11 @@ index = 1873, label = "C6H6-7 + C3H5 <=> C9H11-38", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5970, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-2.7196, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5970,'cm^3/(mol*s)'), n=2.41, Ea=(-2.7196,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdH;CdsJ-Cs """, ) @@ -37378,18 +25203,11 @@ index = 1874, label = "C6H6-7 + C6H5 <=> C12H11-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (17800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-11.8407, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(17800,'cm^3/(mol*s)'), n=2.41, Ea=(-11.8407,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdH;CbJ """, ) @@ -37398,18 +25216,11 @@ index = 1875, label = "C7H8-19 + CH3 <=> C8H11-33", degeneracy = 1.0, - kinetics = Arrhenius( - A = (18700, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (12.4265, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(18700,'cm^3/(mol*s)'), n=2.41, Ea=(12.4265,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdCs;CsJ-HHH """, ) @@ -37418,18 +25229,11 @@ index = 1876, label = "C7H8-19 + C2H5 <=> C9H13-50", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1900, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (10.0416, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1900,'cm^3/(mol*s)'), n=2.41, Ea=(10.0416,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdCs;CsJ-CsHH """, ) @@ -37438,18 +25242,11 @@ index = 1877, label = "C7H8-19 + C3H7-2 <=> C10H15-54", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1520, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (5.06264, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1520,'cm^3/(mol*s)'), n=2.41, Ea=(5.06264,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdCs;CsJ-CsCsH """, ) @@ -37458,18 +25255,11 @@ index = 1878, label = "C7H8-19 + C4H9 <=> C11H17-42", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1130, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-0.87864, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1130,'cm^3/(mol*s)'), n=2.41, Ea=(-0.87864,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdCs;CsJ-CsCsCs """, ) @@ -37478,18 +25268,11 @@ index = 1879, label = "C7H8-19 + allyl <=> C10H13-48", degeneracy = 2.0, - kinetics = Arrhenius( - A = (39400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (38.7438, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(39400,'cm^3/(mol*s)'), n=2.41, Ea=(38.7438,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdCs;CsJ-CdHH """, ) @@ -37498,18 +25281,11 @@ index = 1880, label = "C7H8-19 + C4H7-2 <=> C11H15-61", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3430, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (37.7397, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3430,'cm^3/(mol*s)'), n=2.41, Ea=(37.7397,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdCs;CsJ-CdCsH """, ) @@ -37518,18 +25294,11 @@ index = 1881, label = "C7H8-19 + C5H9 <=> C12H17-54", degeneracy = 1.0, - kinetics = Arrhenius( - A = (444, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (33.6812, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(444,'cm^3/(mol*s)'), n=2.41, Ea=(33.6812,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdCs;CsJ-CdCsCs """, ) @@ -37538,18 +25307,11 @@ index = 1882, label = "C7H8-19 + C5H7-3 <=> C12H15-53", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6920, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (57.7392, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6920,'cm^3/(mol*s)'), n=2.41, Ea=(57.7392,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdCs;CsJ-CdCdH """, ) @@ -37558,18 +25320,11 @@ index = 1883, label = "C7H8-19 + C6H9-12 <=> C13H17-56", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2360, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (56.9861, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2360,'cm^3/(mol*s)'), n=2.41, Ea=(56.9861,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdCs;CsJ-CdCdCs """, ) @@ -37578,18 +25333,11 @@ index = 1884, label = "C7H8-19 + C7H7-3 <=> C14H15-26", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9140, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (28.9951, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9140,'cm^3/(mol*s)'), n=2.41, Ea=(28.9951,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdCs;CsJ-CbHH """, ) @@ -37598,18 +25346,11 @@ index = 1885, label = "C7H8-19 + C8H9 <=> C15H17-35", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2250, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (26.1082, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2250,'cm^3/(mol*s)'), n=2.41, Ea=(26.1082,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdCs;CsJ-CbCsH """, ) @@ -37618,18 +25359,11 @@ index = 1886, label = "C7H8-19 + C9H11-15 <=> C16H19-31", degeneracy = 1.0, - kinetics = Arrhenius( - A = (359, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (23.8488, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(359,'cm^3/(mol*s)'), n=2.41, Ea=(23.8488,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdCs;CsJ-CbCsCs """, ) @@ -37638,18 +25372,11 @@ index = 1887, label = "C3H3 + C7H8-19 <=> C10H11-36", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8440, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (27.991, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8440,'cm^3/(mol*s)'), n=2.41, Ea=(27.991,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdCs;CsJ-CtHH """, ) @@ -37658,18 +25385,11 @@ index = 1888, label = "C4H5-12 + C7H8-19 <=> C11H13-35", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1900, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (26.0245, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1900,'cm^3/(mol*s)'), n=2.41, Ea=(26.0245,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdCs;CsJ-CtCsH """, ) @@ -37678,18 +25398,11 @@ index = 1889, label = "C7H8-19 + C5H7-5 <=> C12H15-54", degeneracy = 1.0, - kinetics = Arrhenius( - A = (486, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (23.1794, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(486,'cm^3/(mol*s)'), n=2.41, Ea=(23.1794,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdCs;CsJ-CtCsCs """, ) @@ -37698,18 +25411,11 @@ index = 1890, label = "C7H8-19 + C2H3 <=> C9H11-39", degeneracy = 1.0, - kinetics = Arrhenius( - A = (12800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-3.59824, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(12800,'cm^3/(mol*s)'), n=2.41, Ea=(-3.59824,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdCs;CdsJ-H """, ) @@ -37718,18 +25424,11 @@ index = 1891, label = "C7H8-19 + C3H5 <=> C10H13-49", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6770, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-4.47688, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6770,'cm^3/(mol*s)'), n=2.41, Ea=(-4.47688,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdCs;CdsJ-Cs """, ) @@ -37738,18 +25437,11 @@ index = 1892, label = "C7H8-19 + C6H5 <=> C13H13-14", degeneracy = 1.0, - kinetics = Arrhenius( - A = (20200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-13.598, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(20200,'cm^3/(mol*s)'), n=2.41, Ea=(-13.598,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdCs;CbJ """, ) @@ -37758,18 +25450,11 @@ index = 1893, label = "C8H8-5 + CH3 <=> C9H11-40", degeneracy = 1.0, - kinetics = Arrhenius( - A = (56900, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (8.66088, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(56900,'cm^3/(mol*s)'), n=2.41, Ea=(8.66088,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdCd;CsJ-HHH """, ) @@ -37778,18 +25463,11 @@ index = 1894, label = "C8H8-5 + C2H5 <=> C10H13-50", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5780, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (6.276, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5780,'cm^3/(mol*s)'), n=2.41, Ea=(6.276,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdCd;CsJ-CsHH """, ) @@ -37798,18 +25476,11 @@ index = 1895, label = "C8H8-5 + C3H7-2 <=> C11H15-62", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4630, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (1.2552, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4630,'cm^3/(mol*s)'), n=2.41, Ea=(1.2552,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdCd;CsJ-CsCsH """, ) @@ -37818,18 +25489,11 @@ index = 1896, label = "C8H8-5 + C4H9 <=> C12H17-55", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3430, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-4.64424, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3430,'cm^3/(mol*s)'), n=2.41, Ea=(-4.64424,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdCd;CsJ-CsCsCs """, ) @@ -37838,18 +25502,11 @@ index = 1897, label = "C8H8-5 + allyl <=> C11H13-36", degeneracy = 2.0, - kinetics = Arrhenius( - A = (120000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (34.9782, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(120000,'cm^3/(mol*s)'), n=2.41, Ea=(34.9782,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdCd;CsJ-CdHH """, ) @@ -37858,18 +25515,11 @@ index = 1898, label = "C8H8-5 + C4H7-2 <=> C12H15-55", degeneracy = 1.0, - kinetics = Arrhenius( - A = (10500, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (33.9741, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(10500,'cm^3/(mol*s)'), n=2.41, Ea=(33.9741,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdCd;CsJ-CdCsH """, ) @@ -37878,18 +25528,11 @@ index = 1899, label = "C8H8-5 + C5H9 <=> C13H17-57", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1350, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (29.8738, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1350,'cm^3/(mol*s)'), n=2.41, Ea=(29.8738,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdCd;CsJ-CdCsCs """, ) @@ -37898,18 +25541,11 @@ index = 1900, label = "C8H8-5 + C5H7-3 <=> C13H15-52", degeneracy = 1.0, - kinetics = Arrhenius( - A = (21100, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (53.9736, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(21100,'cm^3/(mol*s)'), n=2.41, Ea=(53.9736,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdCd;CsJ-CdCdH """, ) @@ -37918,18 +25554,11 @@ index = 1901, label = "C8H8-5 + C6H9-12 <=> C14H17-62", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (53.2205, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7200,'cm^3/(mol*s)'), n=2.41, Ea=(53.2205,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdCd;CsJ-CdCdCs """, ) @@ -37938,18 +25567,11 @@ index = 1902, label = "C8H8-5 + C7H7-3 <=> C15H15-17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (27800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (25.2295, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(27800,'cm^3/(mol*s)'), n=2.41, Ea=(25.2295,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdCd;CsJ-CbHH """, ) @@ -37958,18 +25580,11 @@ index = 1903, label = "C8H8-5 + C8H9 <=> C16H17-27", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6850, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (22.3426, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6850,'cm^3/(mol*s)'), n=2.41, Ea=(22.3426,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdCd;CsJ-CbCsH """, ) @@ -37978,18 +25593,11 @@ index = 1904, label = "C8H8-5 + C9H11-15 <=> C17H19-30", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1100, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (20.0832, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1100,'cm^3/(mol*s)'), n=2.41, Ea=(20.0832,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdCd;CsJ-CbCsCs """, ) @@ -37998,18 +25606,11 @@ index = 1905, label = "C8H8-5 + C3H3 <=> C11H11-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (25700, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (24.2254, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(25700,'cm^3/(mol*s)'), n=2.41, Ea=(24.2254,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdCd;CsJ-CtHH """, ) @@ -38018,18 +25619,11 @@ index = 1906, label = "C8H8-5 + C4H5-12 <=> C12H13-30", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (22.2589, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5800,'cm^3/(mol*s)'), n=2.41, Ea=(22.2589,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdCd;CsJ-CtCsH """, ) @@ -38038,18 +25632,11 @@ index = 1907, label = "C8H8-5 + C5H7-5 <=> C13H15-53", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1480, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (19.4138, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1480,'cm^3/(mol*s)'), n=2.41, Ea=(19.4138,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdCd;CsJ-CtCsCs """, ) @@ -38058,18 +25645,11 @@ index = 1908, label = "C8H8-5 + C2H3 <=> C10H11-37", degeneracy = 1.0, - kinetics = Arrhenius( - A = (38900, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-7.36384, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(38900,'cm^3/(mol*s)'), n=2.41, Ea=(-7.36384,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdCd;CdsJ-H """, ) @@ -38078,18 +25658,11 @@ index = 1909, label = "C8H8-5 + C3H5 <=> C11H13-37", degeneracy = 1.0, - kinetics = Arrhenius( - A = (20600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-8.24248, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(20600,'cm^3/(mol*s)'), n=2.41, Ea=(-8.24248,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdCd;CdsJ-Cs """, ) @@ -38098,18 +25671,11 @@ index = 1910, label = "C8H8-5 + C6H5 <=> C14H13-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (61500, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-17.3636, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(61500,'cm^3/(mol*s)'), n=2.41, Ea=(-17.3636,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdCd;CbJ """, ) @@ -38118,18 +25684,11 @@ index = 1911, label = "C10H8-7 + CH3 <=> C11H11-13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5370, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (21.5058, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5370,'cm^3/(mol*s)'), n=2.41, Ea=(21.5058,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CbH;CsJ-HHH """, ) @@ -38138,18 +25697,11 @@ index = 1912, label = "C10H8-7 + C2H5 <=> C12H13-31", degeneracy = 1.0, - kinetics = Arrhenius( - A = (545, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (19.1209, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(545,'cm^3/(mol*s)'), n=2.41, Ea=(19.1209,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CbH;CsJ-CsHH """, ) @@ -38158,18 +25710,11 @@ index = 1913, label = "C10H8-7 + C3H7-2 <=> C13H15-54", degeneracy = 1.0, - kinetics = Arrhenius( - A = (437, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (14.1419, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(437,'cm^3/(mol*s)'), n=2.41, Ea=(14.1419,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CbH;CsJ-CsCsH """, ) @@ -38178,18 +25723,11 @@ index = 1914, label = "C10H8-7 + C4H9 <=> C14H17-63", degeneracy = 1.0, - kinetics = Arrhenius( - A = (324, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (8.20064, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(324,'cm^3/(mol*s)'), n=2.41, Ea=(8.20064,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CbH;CsJ-CsCsCs """, ) @@ -38198,18 +25736,11 @@ index = 1915, label = "C10H8-7 + allyl <=> C13H13-15", degeneracy = 2.0, - kinetics = Arrhenius( - A = (11340, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (47.8231, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(11340,'cm^3/(mol*s)'), n=2.41, Ea=(47.8231,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CbH;CsJ-CdHH """, ) @@ -38218,18 +25749,11 @@ index = 1916, label = "C10H8-7 + C4H7-2 <=> C14H15-27", degeneracy = 1.0, - kinetics = Arrhenius( - A = (987, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (46.819, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(987,'cm^3/(mol*s)'), n=2.41, Ea=(46.819,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CbH;CsJ-CdCsH """, ) @@ -38238,18 +25762,11 @@ index = 1917, label = "C10H8-7 + C5H9 <=> C15H17-36", degeneracy = 1.0, - kinetics = Arrhenius( - A = (128, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (42.7605, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(128,'cm^3/(mol*s)'), n=2.41, Ea=(42.7605,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CbH;CsJ-CdCsCs """, ) @@ -38258,18 +25775,11 @@ index = 1918, label = "C10H8-7 + C5H7-3 <=> C15H15-18", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1990, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (66.8603, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1990,'cm^3/(mol*s)'), n=2.41, Ea=(66.8603,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CbH;CsJ-CdCdH """, ) @@ -38278,18 +25788,11 @@ index = 1919, label = "C10H8-7 + C6H9-12 <=> C16H17-28", degeneracy = 1.0, - kinetics = Arrhenius( - A = (679, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (66.0654, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(679,'cm^3/(mol*s)'), n=2.41, Ea=(66.0654,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CbH;CsJ-CdCdCs """, ) @@ -38298,18 +25801,11 @@ index = 1920, label = "C10H8-7 + C7H7-3 <=> C17H15-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2630, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (38.1162, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2630,'cm^3/(mol*s)'), n=2.41, Ea=(38.1162,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CbH;CsJ-CbHH """, ) @@ -38318,18 +25814,11 @@ index = 1921, label = "C10H8-7 + C8H9 <=> C18H17-10", degeneracy = 1.0, - kinetics = Arrhenius( - A = (646, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (35.1874, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(646,'cm^3/(mol*s)'), n=2.41, Ea=(35.1874,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CbH;CsJ-CbCsH """, ) @@ -38338,18 +25827,11 @@ index = 1922, label = "C10H8-7 + C9H11-15 <=> C19H19-14", degeneracy = 1.0, - kinetics = Arrhenius( - A = (103, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (32.9281, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(103,'cm^3/(mol*s)'), n=2.41, Ea=(32.9281,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CbH;CsJ-CbCsCs """, ) @@ -38358,18 +25840,11 @@ index = 1923, label = "C10H8-7 + C3H3 <=> C13H11-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2430, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (37.0702, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2430,'cm^3/(mol*s)'), n=2.41, Ea=(37.0702,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CbH;CsJ-CtHH """, ) @@ -38378,18 +25853,11 @@ index = 1924, label = "C4H5-12 + C10H8-7 <=> C14H13-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (548, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (35.1456, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(548,'cm^3/(mol*s)'), n=2.41, Ea=(35.1456,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CbH;CsJ-CtCsH """, ) @@ -38398,18 +25866,11 @@ index = 1925, label = "C10H8-7 + C5H7-5 <=> C15H15-19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (140, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (32.2586, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(140,'cm^3/(mol*s)'), n=2.41, Ea=(32.2586,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CbH;CsJ-CtCsCs """, ) @@ -38418,18 +25879,11 @@ index = 1926, label = "C10H8-7 + C2H3 <=> C12H11-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3670, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (5.48104, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3670,'cm^3/(mol*s)'), n=2.41, Ea=(5.48104,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CbH;CdsJ-H """, ) @@ -38438,18 +25892,11 @@ index = 1927, label = "C10H8-7 + C3H5 <=> C13H13-16", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1950, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (4.6024, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1950,'cm^3/(mol*s)'), n=2.41, Ea=(4.6024,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CbH;CdsJ-Cs """, ) @@ -38458,18 +25905,11 @@ index = 1928, label = "C10H8-7 + C6H5 <=> C16H13-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-4.47688, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5800,'cm^3/(mol*s)'), n=2.41, Ea=(-4.47688,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CbH;CbJ """, ) @@ -38478,18 +25918,11 @@ index = 1929, label = "C11H10-3 + CH3 <=> C12H13-32", degeneracy = 1.0, - kinetics = Arrhenius( - A = (11400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (20.8363, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(11400,'cm^3/(mol*s)'), n=2.41, Ea=(20.8363,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CbCs;CsJ-HHH """, ) @@ -38498,18 +25931,11 @@ index = 1930, label = "C11H10-3 + C2H5 <=> C13H15-55", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1160, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (18.4514, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1160,'cm^3/(mol*s)'), n=2.41, Ea=(18.4514,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CbCs;CsJ-CsHH """, ) @@ -38518,18 +25944,11 @@ index = 1931, label = "C11H10-3 + C3H7-2 <=> C14H17-64", degeneracy = 1.0, - kinetics = Arrhenius( - A = (928, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (13.4725, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(928,'cm^3/(mol*s)'), n=2.41, Ea=(13.4725,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CbCs;CsJ-CsCsH """, ) @@ -38538,18 +25957,11 @@ index = 1932, label = "C11H10-3 + C4H9 <=> C15H19-51", degeneracy = 1.0, - kinetics = Arrhenius( - A = (687, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (7.5312, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(687,'cm^3/(mol*s)'), n=2.41, Ea=(7.5312,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CbCs;CsJ-CsCsCs """, ) @@ -38558,18 +25970,11 @@ index = 1933, label = "C11H10-3 + allyl <=> C14H15-28", degeneracy = 2.0, - kinetics = Arrhenius( - A = (24000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (47.1537, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(24000,'cm^3/(mol*s)'), n=2.41, Ea=(47.1537,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CbCs;CsJ-CdHH """, ) @@ -38578,18 +25983,11 @@ index = 1934, label = "C11H10-3 + C4H7-2 <=> C15H17-37", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2090, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (46.1495, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2090,'cm^3/(mol*s)'), n=2.41, Ea=(46.1495,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CbCs;CsJ-CdCsH """, ) @@ -38598,18 +25996,11 @@ index = 1935, label = "C11H10-3 + C5H9 <=> C16H19-32", degeneracy = 1.0, - kinetics = Arrhenius( - A = (271, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (42.091, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(271,'cm^3/(mol*s)'), n=2.41, Ea=(42.091,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CbCs;CsJ-CdCsCs """, ) @@ -38618,18 +26009,11 @@ index = 1936, label = "C11H10-3 + C5H7-3 <=> C16H17-29", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4220, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (66.1909, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4220,'cm^3/(mol*s)'), n=2.41, Ea=(66.1909,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CbCs;CsJ-CdCdH """, ) @@ -38638,18 +26022,11 @@ index = 1937, label = "C11H10-3 + C6H9-12 <=> C17H19-31", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1440, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (65.3959, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1440,'cm^3/(mol*s)'), n=2.41, Ea=(65.3959,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CbCs;CsJ-CdCdCs """, ) @@ -38658,18 +26035,11 @@ index = 1938, label = "C11H10-3 + C7H7-3 <=> C18H17-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5570, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (37.4468, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5570,'cm^3/(mol*s)'), n=2.41, Ea=(37.4468,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CbCs;CsJ-CbHH """, ) @@ -38678,18 +26048,11 @@ index = 1939, label = "C11H10-3 + C8H9 <=> C19H19-15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1370, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (34.518, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1370,'cm^3/(mol*s)'), n=2.41, Ea=(34.518,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CbCs;CsJ-CbCsH """, ) @@ -38698,18 +26061,11 @@ index = 1940, label = "C11H10-3 + C9H11-15 <=> C20H21-14", degeneracy = 1.0, - kinetics = Arrhenius( - A = (219, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (32.2586, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(219,'cm^3/(mol*s)'), n=2.41, Ea=(32.2586,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CbCs;CsJ-CbCsCs """, ) @@ -38718,18 +26074,11 @@ index = 1941, label = "C3H3 + C11H10-3 <=> C14H13-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5150, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (36.4008, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5150,'cm^3/(mol*s)'), n=2.41, Ea=(36.4008,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CbCs;CsJ-CtHH """, ) @@ -38738,18 +26087,11 @@ index = 1942, label = "C4H5-12 + C11H10-3 <=> C15H15-20", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1160, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (34.4762, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1160,'cm^3/(mol*s)'), n=2.41, Ea=(34.4762,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CbCs;CsJ-CtCsH """, ) @@ -38758,18 +26100,11 @@ index = 1943, label = "C11H10-3 + C5H7-5 <=> C16H17-30", degeneracy = 1.0, - kinetics = Arrhenius( - A = (296, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (31.5892, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(296,'cm^3/(mol*s)'), n=2.41, Ea=(31.5892,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CbCs;CsJ-CtCsCs """, ) @@ -38778,18 +26113,11 @@ index = 1944, label = "C11H10-3 + C2H3 <=> C13H13-17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7790, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (4.8116, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7790,'cm^3/(mol*s)'), n=2.41, Ea=(4.8116,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CbCs;CdsJ-H """, ) @@ -38798,18 +26126,11 @@ index = 1945, label = "C11H10-3 + C3H5 <=> C14H15-29", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4130, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (3.93296, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4130,'cm^3/(mol*s)'), n=2.41, Ea=(3.93296,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CbCs;CdsJ-Cs """, ) @@ -38818,18 +26139,11 @@ index = 1946, label = "C11H10-3 + C6H5 <=> C17H15-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (12300, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-5.14632, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(12300,'cm^3/(mol*s)'), n=2.41, Ea=(-5.14632,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CbCs;CbJ """, ) @@ -38838,18 +26152,11 @@ index = 1947, label = "C6H4 + CH3 <=> C7H7-8", degeneracy = 2.0, - kinetics = Arrhenius( - A = (42600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (13.5143, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(42600,'cm^3/(mol*s)'), n=2.41, Ea=(13.5143,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CtH;CsJ-HHH """, ) @@ -38858,18 +26165,11 @@ index = 1948, label = "C6H4 + C2H5 <=> C8H9-11", degeneracy = 2.0, - kinetics = Arrhenius( - A = (4340, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (11.1294, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4340,'cm^3/(mol*s)'), n=2.41, Ea=(11.1294,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CtH;CsJ-CsHH """, ) @@ -38878,18 +26178,11 @@ index = 1949, label = "C6H4 + C3H7-2 <=> C9H11-41", degeneracy = 2.0, - kinetics = Arrhenius( - A = (3480, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (6.15048, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3480,'cm^3/(mol*s)'), n=2.41, Ea=(6.15048,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CtH;CsJ-CsCsH """, ) @@ -38898,18 +26191,11 @@ index = 1950, label = "C6H4 + C4H9 <=> C10H13-51", degeneracy = 2.0, - kinetics = Arrhenius( - A = (2580, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (0.2092, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2580,'cm^3/(mol*s)'), n=2.41, Ea=(0.2092,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CtH;CsJ-CsCsCs """, ) @@ -38918,18 +26204,11 @@ index = 1951, label = "C6H4 + allyl <=> C9H9-23", degeneracy = 4.0, - kinetics = Arrhenius( - A = (90000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (39.8317, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(90000,'cm^3/(mol*s)'), n=2.41, Ea=(39.8317,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CtH;CsJ-CdHH """, ) @@ -38938,18 +26217,11 @@ index = 1952, label = "C6H4 + C4H7-2 <=> C10H11-38", degeneracy = 2.0, - kinetics = Arrhenius( - A = (7840, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (38.8275, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7840,'cm^3/(mol*s)'), n=2.41, Ea=(38.8275,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CtH;CsJ-CdCsH """, ) @@ -38958,18 +26230,11 @@ index = 1953, label = "C6H4 + C5H9 <=> C11H13-38", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1014, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (34.769, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1014,'cm^3/(mol*s)'), n=2.41, Ea=(34.769,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CtH;CsJ-CdCsCs """, ) @@ -38978,18 +26243,11 @@ index = 1954, label = "C6H4 + C5H7-3 <=> C11H11-14", degeneracy = 2.0, - kinetics = Arrhenius( - A = (15800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (58.8689, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(15800,'cm^3/(mol*s)'), n=2.41, Ea=(58.8689,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CtH;CsJ-CdCdH """, ) @@ -38998,18 +26256,11 @@ index = 1955, label = "C6H4 + C6H9-12 <=> C12H13-33", degeneracy = 2.0, - kinetics = Arrhenius( - A = (5400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (58.1158, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5400,'cm^3/(mol*s)'), n=2.41, Ea=(58.1158,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CtH;CsJ-CdCdCs """, ) @@ -39018,18 +26269,11 @@ index = 1956, label = "C6H4 + C7H7-3 <=> C13H11-3", degeneracy = 2.0, - kinetics = Arrhenius( - A = (20800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (30.1248, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(20800,'cm^3/(mol*s)'), n=2.41, Ea=(30.1248,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CtH;CsJ-CbHH """, ) @@ -39038,18 +26282,11 @@ index = 1957, label = "C6H4 + C8H9 <=> C14H13-10", degeneracy = 2.0, - kinetics = Arrhenius( - A = (5140, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (27.196, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5140,'cm^3/(mol*s)'), n=2.41, Ea=(27.196,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CtH;CsJ-CbCsH """, ) @@ -39058,18 +26295,11 @@ index = 1958, label = "C6H4 + C9H11-15 <=> C15H15-21", degeneracy = 2.0, - kinetics = Arrhenius( - A = (822, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (24.9366, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(822,'cm^3/(mol*s)'), n=2.41, Ea=(24.9366,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CtH;CsJ-CbCsCs """, ) @@ -39078,18 +26308,11 @@ index = 1959, label = "C6H4 + C3H3 <=> C9H7", degeneracy = 2.0, - kinetics = Arrhenius( - A = (19280, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (29.0788, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(19280,'cm^3/(mol*s)'), n=2.41, Ea=(29.0788,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CtH;CsJ-CtHH """, ) @@ -39098,18 +26321,11 @@ index = 1960, label = "C6H4 + C4H5-12 <=> C10H9-34", degeneracy = 2.0, - kinetics = Arrhenius( - A = (4340, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (27.1542, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4340,'cm^3/(mol*s)'), n=2.41, Ea=(27.1542,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CtH;CsJ-CtCsH """, ) @@ -39118,18 +26334,11 @@ index = 1961, label = "C6H4 + C5H7-5 <=> C11H11-15", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1110, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (24.309, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1110,'cm^3/(mol*s)'), n=2.41, Ea=(24.309,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CtH;CsJ-CtCsCs """, ) @@ -39138,18 +26347,11 @@ index = 1962, label = "C6H4 + C2H3 <=> C8H7-5", degeneracy = 2.0, - kinetics = Arrhenius( - A = (29200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-2.5104, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(29200,'cm^3/(mol*s)'), n=2.41, Ea=(-2.5104,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CtH;CdsJ-H """, ) @@ -39158,18 +26360,11 @@ index = 1963, label = "C6H4 + C3H5 <=> C9H9-24", degeneracy = 2.0, - kinetics = Arrhenius( - A = (15460, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-3.38904, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(15460,'cm^3/(mol*s)'), n=2.41, Ea=(-3.38904,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CtH;CdsJ-Cs """, ) @@ -39178,18 +26373,11 @@ index = 1964, label = "C6H4 + C6H5 <=> C12H9", degeneracy = 2.0, - kinetics = Arrhenius( - A = (46000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-12.4683, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(46000,'cm^3/(mol*s)'), n=2.41, Ea=(-12.4683,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CtH;CbJ """, ) @@ -39198,18 +26386,11 @@ index = 1965, label = "C7H6-4 + CH3 <=> C8H9-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (21800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (13.1796, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(21800,'cm^3/(mol*s)'), n=2.41, Ea=(13.1796,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CtCs;CsJ-HHH """, ) @@ -39218,18 +26399,11 @@ index = 1966, label = "C7H6-4 + C2H5 <=> C9H11-42", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2220, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (10.7947, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2220,'cm^3/(mol*s)'), n=2.41, Ea=(10.7947,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CtCs;CsJ-CsHH """, ) @@ -39238,18 +26412,11 @@ index = 1967, label = "C7H6-4 + C3H7-2 <=> C10H13-52", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1780, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (5.77392, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1780,'cm^3/(mol*s)'), n=2.41, Ea=(5.77392,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CtCs;CsJ-CsCsH """, ) @@ -39258,18 +26425,11 @@ index = 1968, label = "C7H6-4 + C4H9 <=> C11H15-63", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1320, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-0.12552, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1320,'cm^3/(mol*s)'), n=2.41, Ea=(-0.12552,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CtCs;CsJ-CsCsCs """, ) @@ -39278,18 +26438,11 @@ index = 1969, label = "C7H6-4 + allyl <=> C10H11-39", degeneracy = 2.0, - kinetics = Arrhenius( - A = (46000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (39.497, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(46000,'cm^3/(mol*s)'), n=2.41, Ea=(39.497,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CtCs;CsJ-CdHH """, ) @@ -39298,18 +26451,11 @@ index = 1970, label = "C7H6-4 + C4H7-2 <=> C11H13-39", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4010, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (38.4928, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4010,'cm^3/(mol*s)'), n=2.41, Ea=(38.4928,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CtCs;CsJ-CdCsH """, ) @@ -39318,18 +26464,11 @@ index = 1971, label = "C7H6-4 + C5H9 <=> C12H15-56", degeneracy = 1.0, - kinetics = Arrhenius( - A = (519, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (34.4343, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(519,'cm^3/(mol*s)'), n=2.41, Ea=(34.4343,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CtCs;CsJ-CdCsCs """, ) @@ -39338,18 +26477,11 @@ index = 1972, label = "C7H6-4 + C5H7-3 <=> C12H13-34", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8090, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (58.4923, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8090,'cm^3/(mol*s)'), n=2.41, Ea=(58.4923,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CtCs;CsJ-CdCdH """, ) @@ -39358,18 +26490,11 @@ index = 1973, label = "C7H6-4 + C6H9-12 <=> C13H15-56", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2760, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (57.7392, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2760,'cm^3/(mol*s)'), n=2.41, Ea=(57.7392,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CtCs;CsJ-CdCdCs """, ) @@ -39378,18 +26503,11 @@ index = 1974, label = "C7H6-4 + C7H7-3 <=> C14H13-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (10700, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (29.7482, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(10700,'cm^3/(mol*s)'), n=2.41, Ea=(29.7482,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CtCs;CsJ-CbHH """, ) @@ -39398,18 +26516,11 @@ index = 1975, label = "C7H6-4 + C8H9 <=> C15H15-22", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2630, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (26.8613, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2630,'cm^3/(mol*s)'), n=2.41, Ea=(26.8613,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CtCs;CsJ-CbCsH """, ) @@ -39418,18 +26529,11 @@ index = 1976, label = "C7H6-4 + C9H11-15 <=> C16H17-31", degeneracy = 1.0, - kinetics = Arrhenius( - A = (420, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (24.6019, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(420,'cm^3/(mol*s)'), n=2.41, Ea=(24.6019,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CtCs;CsJ-CbCsCs """, ) @@ -39438,18 +26542,11 @@ index = 1977, label = "C7H6-4 + C3H3 <=> C10H9-35", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9870, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (28.7441, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9870,'cm^3/(mol*s)'), n=2.41, Ea=(28.7441,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CtCs;CsJ-CtHH """, ) @@ -39458,18 +26555,11 @@ index = 1978, label = "C4H5-12 + C7H6-4 <=> C11H11-16", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2230, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (26.7776, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2230,'cm^3/(mol*s)'), n=2.41, Ea=(26.7776,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CtCs;CsJ-CtCsH """, ) @@ -39478,18 +26568,11 @@ index = 1979, label = "C5H7-5 + C7H6-4 <=> C12H13-35", degeneracy = 1.0, - kinetics = Arrhenius( - A = (568, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (23.9325, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(568,'cm^3/(mol*s)'), n=2.41, Ea=(23.9325,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CtCs;CsJ-CtCsCs """, ) @@ -39498,18 +26581,11 @@ index = 1980, label = "C7H6-4 + C2H3 <=> C9H9-25", degeneracy = 1.0, - kinetics = Arrhenius( - A = (14900, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-2.84512, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(14900,'cm^3/(mol*s)'), n=2.41, Ea=(-2.84512,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CtCs;CdsJ-H """, ) @@ -39518,18 +26594,11 @@ index = 1981, label = "C7H6-4 + C3H5 <=> C10H11-40", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7920, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-3.72376, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7920,'cm^3/(mol*s)'), n=2.41, Ea=(-3.72376,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CtCs;CdsJ-Cs """, ) @@ -39538,18 +26607,11 @@ index = 1982, label = "C7H6-4 + C6H5 <=> C13H11-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (23600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-12.8449, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(23600,'cm^3/(mol*s)'), n=2.41, Ea=(-12.8449,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CtCs;CbJ """, ) @@ -39558,18 +26620,11 @@ index = 1983, label = "C5H4 + CH3 <=> C6H7-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (15800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (29.539, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(15800,'cm^3/(mol*s)'), n=2.41, Ea=(29.539,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Ca;CsJ-HHH """, ) @@ -39578,18 +26633,11 @@ index = 1984, label = "C5H4 + C2H5 <=> C7H9-44", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (27.1542, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1600,'cm^3/(mol*s)'), n=2.41, Ea=(27.1542,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Ca;CsJ-CsHH """, ) @@ -39598,18 +26646,11 @@ index = 1985, label = "C5H4 + C3H7-2 <=> C8H11-34", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1280, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (22.1752, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1280,'cm^3/(mol*s)'), n=2.41, Ea=(22.1752,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Ca;CsJ-CsCsH """, ) @@ -39618,18 +26659,11 @@ index = 1986, label = "C5H4 + C4H9 <=> C9H13-51", degeneracy = 1.0, - kinetics = Arrhenius( - A = (951, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (16.2339, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(951,'cm^3/(mol*s)'), n=2.41, Ea=(16.2339,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Ca;CsJ-CsCsCs """, ) @@ -39638,18 +26672,11 @@ index = 1987, label = "C5H4 + allyl <=> C8H9-13", degeneracy = 2.0, - kinetics = Arrhenius( - A = (33200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (55.8564, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(33200,'cm^3/(mol*s)'), n=2.41, Ea=(55.8564,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Ca;CsJ-CdHH """, ) @@ -39658,18 +26685,11 @@ index = 1988, label = "C5H4 + C4H7-2 <=> C9H11-43", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2900, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (54.8522, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2900,'cm^3/(mol*s)'), n=2.41, Ea=(54.8522,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Ca;CsJ-CdCsH """, ) @@ -39678,18 +26698,11 @@ index = 1989, label = "C5H4 + C5H9 <=> C10H13-53", degeneracy = 1.0, - kinetics = Arrhenius( - A = (374, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (50.7938, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(374,'cm^3/(mol*s)'), n=2.41, Ea=(50.7938,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Ca;CsJ-CdCsCs """, ) @@ -39698,18 +26711,11 @@ index = 1990, label = "C5H4 + C5H7-3 <=> C10H11-41", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5840, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (74.8936, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5840,'cm^3/(mol*s)'), n=2.41, Ea=(74.8936,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Ca;CsJ-CdCdH """, ) @@ -39718,18 +26724,11 @@ index = 1991, label = "C5H4 + C6H9-12 <=> C11H13-40", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1990, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (74.0986, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1990,'cm^3/(mol*s)'), n=2.41, Ea=(74.0986,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Ca;CsJ-CdCdCs """, ) @@ -39738,18 +26737,11 @@ index = 1992, label = "C5H4 + C7H7-3 <=> C12H11-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7710, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (46.1495, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7710,'cm^3/(mol*s)'), n=2.41, Ea=(46.1495,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Ca;CsJ-CbHH """, ) @@ -39758,18 +26750,11 @@ index = 1993, label = "C5H4 + C8H9 <=> C13H13-18", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1900, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.2207, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1900,'cm^3/(mol*s)'), n=2.41, Ea=(43.2207,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Ca;CsJ-CbCsH """, ) @@ -39778,18 +26763,11 @@ index = 1994, label = "C5H4 + C9H11-15 <=> C14H15-30", degeneracy = 1.0, - kinetics = Arrhenius( - A = (303, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (40.9614, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(303,'cm^3/(mol*s)'), n=2.41, Ea=(40.9614,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Ca;CsJ-CbCsCs """, ) @@ -39798,18 +26776,11 @@ index = 1995, label = "C5H4 + C3H3 <=> C8H7-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7120, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (45.1035, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7120,'cm^3/(mol*s)'), n=2.41, Ea=(45.1035,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Ca;CsJ-CtHH """, ) @@ -39818,18 +26789,11 @@ index = 1996, label = "C4H5-12 + C5H4 <=> C9H9-26", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1610, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.1789, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1610,'cm^3/(mol*s)'), n=2.41, Ea=(43.1789,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Ca;CsJ-CtCsH """, ) @@ -39838,18 +26802,11 @@ index = 1997, label = "C5H4 + C5H7-5 <=> C10H11-42", degeneracy = 1.0, - kinetics = Arrhenius( - A = (410, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (40.2919, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(410,'cm^3/(mol*s)'), n=2.41, Ea=(40.2919,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Ca;CsJ-CtCsCs """, ) @@ -39858,18 +26815,11 @@ index = 1998, label = "C5H4 + C2H3 <=> C7H7-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (10800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (13.5143, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(10800,'cm^3/(mol*s)'), n=2.41, Ea=(13.5143,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Ca;CdsJ-H """, ) @@ -39878,18 +26828,11 @@ index = 1999, label = "C5H4 + C3H5 <=> C8H9-14", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5710, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (12.6357, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5710,'cm^3/(mol*s)'), n=2.41, Ea=(12.6357,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Ca;CdsJ-Cs """, ) @@ -39898,18 +26841,11 @@ index = 2000, label = "C5H4 + C6H5 <=> C11H9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (17000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (3.5564, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(17000,'cm^3/(mol*s)'), n=2.41, Ea=(3.5564,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Ca;CbJ """, ) @@ -39918,18 +26854,11 @@ index = 2001, label = "C5H6-7 + CH3 <=> C6H9-25", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7010, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (33.0954, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7010,'cm^3/(mol*s)'), n=2.41, Ea=(33.0954,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-HH;CsJ-HHH """, ) @@ -39938,18 +26867,11 @@ index = 2002, label = "C5H6-7 + C2H5 <=> C7H11-38", degeneracy = 1.0, - kinetics = Arrhenius( - A = (712, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (30.7106, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(712,'cm^3/(mol*s)'), n=2.41, Ea=(30.7106,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-HH;CsJ-CsHH """, ) @@ -39958,18 +26880,11 @@ index = 2003, label = "C5H6-7 + C3H7-2 <=> C8H13-47", degeneracy = 1.0, - kinetics = Arrhenius( - A = (571, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (25.7316, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(571,'cm^3/(mol*s)'), n=2.41, Ea=(25.7316,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-HH;CsJ-CsCsH """, ) @@ -39978,18 +26893,11 @@ index = 2004, label = "C5H6-7 + C4H9 <=> C9H15-49", degeneracy = 1.0, - kinetics = Arrhenius( - A = (423, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (19.7903, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(423,'cm^3/(mol*s)'), n=2.41, Ea=(19.7903,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-HH;CsJ-CsCsCs """, ) @@ -39998,18 +26906,11 @@ index = 2005, label = "C5H6-7 + allyl <=> C8H11-35", degeneracy = 2.0, - kinetics = Arrhenius( - A = (14780, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (59.4128, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(14780,'cm^3/(mol*s)'), n=2.41, Ea=(59.4128,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-HH;CsJ-CdHH """, ) @@ -40018,18 +26919,11 @@ index = 2006, label = "C5H6-7 + C4H7-2 <=> C9H13-52", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1290, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (58.4086, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1290,'cm^3/(mol*s)'), n=2.41, Ea=(58.4086,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-HH;CsJ-CdCsH """, ) @@ -40038,18 +26932,11 @@ index = 2007, label = "C5H6-7 + C5H9 <=> C10H15-55", degeneracy = 1.0, - kinetics = Arrhenius( - A = (167, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (54.3502, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(167,'cm^3/(mol*s)'), n=2.41, Ea=(54.3502,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-HH;CsJ-CdCsCs """, ) @@ -40058,18 +26945,11 @@ index = 2008, label = "C5H6-7 + C5H7-3 <=> C10H13-54", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (78.4082, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2600,'cm^3/(mol*s)'), n=2.41, Ea=(78.4082,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-HH;CsJ-CdCdH """, ) @@ -40078,18 +26958,11 @@ index = 2009, label = "C5H6-7 + C6H9-12 <=> C11H15-64", degeneracy = 1.0, - kinetics = Arrhenius( - A = (887, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (77.655, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(887,'cm^3/(mol*s)'), n=2.41, Ea=(77.655,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-HH;CsJ-CdCdCs """, ) @@ -40098,18 +26971,11 @@ index = 2010, label = "C5H6-7 + C7H7-3 <=> C12H13-36", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3430, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (49.6641, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3430,'cm^3/(mol*s)'), n=2.41, Ea=(49.6641,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-HH;CsJ-CbHH """, ) @@ -40118,18 +26984,11 @@ index = 2011, label = "C5H6-7 + C8H9 <=> C13H15-57", degeneracy = 1.0, - kinetics = Arrhenius( - A = (843, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (46.7771, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(843,'cm^3/(mol*s)'), n=2.41, Ea=(46.7771,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-HH;CsJ-CbCsH """, ) @@ -40138,18 +26997,11 @@ index = 2012, label = "C5H6-7 + C9H11-15 <=> C14H17-65", degeneracy = 1.0, - kinetics = Arrhenius( - A = (135, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (44.5178, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(135,'cm^3/(mol*s)'), n=2.41, Ea=(44.5178,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-HH;CsJ-CbCsCs """, ) @@ -40158,18 +27010,11 @@ index = 2013, label = "C5H6-7 + C3H3 <=> C8H9-15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3170, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (48.6599, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3170,'cm^3/(mol*s)'), n=2.41, Ea=(48.6599,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-HH;CsJ-CtHH """, ) @@ -40178,18 +27023,11 @@ index = 2014, label = "C4H5-12 + C5H6-7 <=> C9H11-44", degeneracy = 1.0, - kinetics = Arrhenius( - A = (715, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (46.6934, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(715,'cm^3/(mol*s)'), n=2.41, Ea=(46.6934,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-HH;CsJ-CtCsH """, ) @@ -40198,18 +27036,11 @@ index = 2015, label = "C5H7-5 + C5H6-7 <=> C10H13-55", degeneracy = 1.0, - kinetics = Arrhenius( - A = (182, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.8483, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(182,'cm^3/(mol*s)'), n=2.41, Ea=(43.8483,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-HH;CsJ-CtCsCs """, ) @@ -40218,18 +27049,11 @@ index = 2016, label = "C5H6-7 + C2H3 <=> C7H9-45", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4790, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (17.0707, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4790,'cm^3/(mol*s)'), n=2.41, Ea=(17.0707,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-HH;CdsJ-H """, ) @@ -40238,18 +27062,11 @@ index = 2017, label = "C5H6-7 + C3H5 <=> C8H11-36", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2540, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (16.1921, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2540,'cm^3/(mol*s)'), n=2.41, Ea=(16.1921,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-HH;CdsJ-Cs """, ) @@ -40258,18 +27075,11 @@ index = 2018, label = "C5H6-7 + C6H5 <=> C11H11-17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7570, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (7.1128, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7570,'cm^3/(mol*s)'), n=2.41, Ea=(7.1128,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-HH;CbJ """, ) @@ -40278,18 +27088,11 @@ index = 2019, label = "C6H8-13 + CH3 <=> C7H11-39", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7040, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (31.7984, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7040,'cm^3/(mol*s)'), n=2.41, Ea=(31.7984,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CsH;CsJ-HHH """, ) @@ -40298,18 +27101,11 @@ index = 2020, label = "C6H8-13 + C2H5 <=> C8H13-48", degeneracy = 1.0, - kinetics = Arrhenius( - A = (715, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (29.4135, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(715,'cm^3/(mol*s)'), n=2.41, Ea=(29.4135,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CsH;CsJ-CsHH """, ) @@ -40318,18 +27114,11 @@ index = 2021, label = "C6H8-13 + C3H7-2 <=> C9H15-50", degeneracy = 1.0, - kinetics = Arrhenius( - A = (573, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (24.3927, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(573,'cm^3/(mol*s)'), n=2.41, Ea=(24.3927,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CsH;CsJ-CsCsH """, ) @@ -40338,18 +27127,11 @@ index = 2022, label = "C6H8-13 + C4H9 <=> C10H17-37", degeneracy = 1.0, - kinetics = Arrhenius( - A = (425, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (18.4933, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(425,'cm^3/(mol*s)'), n=2.41, Ea=(18.4933,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CsH;CsJ-CsCsCs """, ) @@ -40358,18 +27140,11 @@ index = 2023, label = "C6H8-13 + allyl <=> C9H13-53", degeneracy = 2.0, - kinetics = Arrhenius( - A = (14860, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (58.1158, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(14860,'cm^3/(mol*s)'), n=2.41, Ea=(58.1158,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CsH;CsJ-CdHH """, ) @@ -40378,18 +27153,11 @@ index = 2024, label = "C6H8-13 + C4H7-2 <=> C10H15-56", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1290, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (57.1116, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1290,'cm^3/(mol*s)'), n=2.41, Ea=(57.1116,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CsH;CsJ-CdCsH """, ) @@ -40398,18 +27166,11 @@ index = 2025, label = "C6H8-13 + C5H9 <=> C11H17-43", degeneracy = 1.0, - kinetics = Arrhenius( - A = (167, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (53.0113, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(167,'cm^3/(mol*s)'), n=2.41, Ea=(53.0113,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CsH;CsJ-CdCsCs """, ) @@ -40418,18 +27179,11 @@ index = 2026, label = "C6H8-13 + C5H7-3 <=> C11H15-65", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2610, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (77.1111, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2610,'cm^3/(mol*s)'), n=2.41, Ea=(77.1111,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CsH;CsJ-CdCdH """, ) @@ -40438,18 +27192,11 @@ index = 2027, label = "C6H8-13 + C6H9-12 <=> C12H17-56", degeneracy = 1.0, - kinetics = Arrhenius( - A = (890, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (76.358, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(890,'cm^3/(mol*s)'), n=2.41, Ea=(76.358,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CsH;CsJ-CdCdCs """, ) @@ -40458,18 +27205,11 @@ index = 2028, label = "C6H8-13 + C7H7-3 <=> C13H15-58", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3440, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (48.367, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3440,'cm^3/(mol*s)'), n=2.41, Ea=(48.367,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CsH;CsJ-CbHH """, ) @@ -40478,18 +27218,11 @@ index = 2029, label = "C6H8-13 + C8H9 <=> C14H17-66", degeneracy = 1.0, - kinetics = Arrhenius( - A = (847, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (45.4801, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(847,'cm^3/(mol*s)'), n=2.41, Ea=(45.4801,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CsH;CsJ-CbCsH """, ) @@ -40498,18 +27231,11 @@ index = 2030, label = "C6H8-13 + C9H11-15 <=> C15H19-52", degeneracy = 1.0, - kinetics = Arrhenius( - A = (135, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.2207, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(135,'cm^3/(mol*s)'), n=2.41, Ea=(43.2207,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CsH;CsJ-CbCsCs """, ) @@ -40518,18 +27244,11 @@ index = 2031, label = "C3H3 + C6H8-13 <=> C9H11-45", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3180, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (47.3629, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3180,'cm^3/(mol*s)'), n=2.41, Ea=(47.3629,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CsH;CsJ-CtHH """, ) @@ -40538,18 +27257,11 @@ index = 2032, label = "C4H5-12 + C6H8-13 <=> C10H13-56", degeneracy = 1.0, - kinetics = Arrhenius( - A = (718, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (45.3964, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(718,'cm^3/(mol*s)'), n=2.41, Ea=(45.3964,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CsH;CsJ-CtCsH """, ) @@ -40558,18 +27270,11 @@ index = 2033, label = "C6H8-13 + C5H7-5 <=> C11H15-66", degeneracy = 1.0, - kinetics = Arrhenius( - A = (183, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (42.5513, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(183,'cm^3/(mol*s)'), n=2.41, Ea=(42.5513,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CsH;CsJ-CtCsCs """, ) @@ -40578,18 +27283,11 @@ index = 2034, label = "C6H8-13 + C2H3 <=> C8H11-37", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4810, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (15.7737, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4810,'cm^3/(mol*s)'), n=2.41, Ea=(15.7737,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CsH;CdsJ-H """, ) @@ -40598,18 +27296,11 @@ index = 2035, label = "C6H8-13 + C3H5 <=> C9H13-54", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2550, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (14.8532, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2550,'cm^3/(mol*s)'), n=2.41, Ea=(14.8532,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CsH;CdsJ-Cs """, ) @@ -40618,18 +27309,11 @@ index = 2036, label = "C6H8-13 + C6H5 <=> C12H13-37", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (5.77392, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7600,'cm^3/(mol*s)'), n=2.41, Ea=(5.77392,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CsH;CbJ """, ) @@ -40638,18 +27322,11 @@ index = 2037, label = "C7H10-8 + CH3 <=> C8H13-49", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8850, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (30.1666, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8850,'cm^3/(mol*s)'), n=2.41, Ea=(30.1666,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CsCs;CsJ-HHH """, ) @@ -40658,18 +27335,11 @@ index = 2038, label = "C7H10-8 + C2H5 <=> C9H15-51", degeneracy = 1.0, - kinetics = Arrhenius( - A = (899, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (27.7818, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(899,'cm^3/(mol*s)'), n=2.41, Ea=(27.7818,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CsCs;CsJ-CsHH """, ) @@ -40678,18 +27348,11 @@ index = 2039, label = "C7H10-8 + C3H7-2 <=> C10H17-38", degeneracy = 1.0, - kinetics = Arrhenius( - A = (721, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (22.8028, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(721,'cm^3/(mol*s)'), n=2.41, Ea=(22.8028,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CsCs;CsJ-CsCsH """, ) @@ -40698,18 +27361,11 @@ index = 2040, label = "C7H10-8 + C4H9 <=> C11H19-19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (534, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (16.8615, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(534,'cm^3/(mol*s)'), n=2.41, Ea=(16.8615,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CsCs;CsJ-CsCsCs """, ) @@ -40718,18 +27374,11 @@ index = 2041, label = "C7H10-8 + allyl <=> C10H15-57", degeneracy = 2.0, - kinetics = Arrhenius( - A = (18680, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (56.484, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(18680,'cm^3/(mol*s)'), n=2.41, Ea=(56.484,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CsCs;CsJ-CdHH """, ) @@ -40738,18 +27387,11 @@ index = 2042, label = "C7H10-8 + C4H7-2 <=> C11H17-44", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1630, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (55.4798, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1630,'cm^3/(mol*s)'), n=2.41, Ea=(55.4798,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CsCs;CsJ-CdCsH """, ) @@ -40758,18 +27400,11 @@ index = 2043, label = "C7H10-8 + C5H9 <=> C12H19-22", degeneracy = 1.0, - kinetics = Arrhenius( - A = (210, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (51.4214, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(210,'cm^3/(mol*s)'), n=2.41, Ea=(51.4214,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CsCs;CsJ-CdCsCs """, ) @@ -40778,18 +27413,11 @@ index = 2044, label = "C7H10-8 + C5H7-3 <=> C12H17-57", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3280, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (75.5212, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3280,'cm^3/(mol*s)'), n=2.41, Ea=(75.5212,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CsCs;CsJ-CdCdH """, ) @@ -40798,18 +27426,11 @@ index = 2045, label = "C7H10-8 + C6H9-12 <=> C13H19-35", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1120, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (74.7681, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1120,'cm^3/(mol*s)'), n=2.41, Ea=(74.7681,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CsCs;CsJ-CdCdCs """, ) @@ -40818,18 +27439,11 @@ index = 2046, label = "C7H10-8 + C7H7-3 <=> C14H17-67", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4330, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (46.7771, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4330,'cm^3/(mol*s)'), n=2.41, Ea=(46.7771,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CsCs;CsJ-CbHH """, ) @@ -40838,18 +27452,11 @@ index = 2047, label = "C7H10-8 + C8H9 <=> C15H19-53", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1070, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.8483, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1070,'cm^3/(mol*s)'), n=2.41, Ea=(43.8483,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CsCs;CsJ-CbCsH """, ) @@ -40858,18 +27465,11 @@ index = 2048, label = "C7H10-8 + C9H11-15 <=> C16H21-29", degeneracy = 1.0, - kinetics = Arrhenius( - A = (170, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (41.589, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(170,'cm^3/(mol*s)'), n=2.41, Ea=(41.589,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CsCs;CsJ-CbCsCs """, ) @@ -40878,18 +27478,11 @@ index = 2049, label = "C7H10-8 + C3H3 <=> C10H13-57", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (45.7311, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4000,'cm^3/(mol*s)'), n=2.41, Ea=(45.7311,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CsCs;CsJ-CtHH """, ) @@ -40898,18 +27491,11 @@ index = 2050, label = "C4H5-12 + C7H10-8 <=> C11H15-67", degeneracy = 1.0, - kinetics = Arrhenius( - A = (903, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.8065, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(903,'cm^3/(mol*s)'), n=2.41, Ea=(43.8065,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CsCs;CsJ-CtCsH """, ) @@ -40918,18 +27504,11 @@ index = 2051, label = "C7H10-8 + C5H7-5 <=> C12H17-58", degeneracy = 1.0, - kinetics = Arrhenius( - A = (230, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (40.9195, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(230,'cm^3/(mol*s)'), n=2.41, Ea=(40.9195,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CsCs;CsJ-CtCsCs """, ) @@ -40938,18 +27517,11 @@ index = 2052, label = "C7H10-8 + C2H3 <=> C9H13-55", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6060, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (14.1419, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6060,'cm^3/(mol*s)'), n=2.41, Ea=(14.1419,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CsCs;CdsJ-H """, ) @@ -40958,18 +27530,11 @@ index = 2053, label = "C7H10-8 + C3H5 <=> C10H15-58", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3210, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (13.2633, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3210,'cm^3/(mol*s)'), n=2.41, Ea=(13.2633,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CsCs;CdsJ-Cs """, ) @@ -40978,18 +27543,11 @@ index = 2054, label = "C7H10-8 + C6H5 <=> C13H15-59", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9570, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (4.184, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9570,'cm^3/(mol*s)'), n=2.41, Ea=(4.184,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CsCs;CbJ """, ) @@ -40998,18 +27556,11 @@ index = 2055, label = "C7H8-20 + CH3 <=> C8H11-38", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7900, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (20.0832, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7900,'cm^3/(mol*s)'), n=2.41, Ea=(20.0832,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdH;CsJ-HHH """, ) @@ -41018,18 +27569,11 @@ index = 2056, label = "C7H8-20 + C2H5 <=> C9H13-56", degeneracy = 1.0, - kinetics = Arrhenius( - A = (803, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (17.6983, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(803,'cm^3/(mol*s)'), n=2.41, Ea=(17.6983,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdH;CsJ-CsHH """, ) @@ -41038,18 +27582,11 @@ index = 2057, label = "C7H8-20 + C3H7-2 <=> C10H15-59", degeneracy = 1.0, - kinetics = Arrhenius( - A = (644, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (12.7194, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(644,'cm^3/(mol*s)'), n=2.41, Ea=(12.7194,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdH;CsJ-CsCsH """, ) @@ -41058,18 +27595,11 @@ index = 2058, label = "C7H8-20 + C4H9 <=> C11H17-45", degeneracy = 1.0, - kinetics = Arrhenius( - A = (477, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (6.81992, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(477,'cm^3/(mol*s)'), n=2.41, Ea=(6.81992,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdH;CsJ-CsCsCs """, ) @@ -41078,18 +27608,11 @@ index = 2059, label = "C7H8-20 + allyl <=> C10H13-58", degeneracy = 2.0, - kinetics = Arrhenius( - A = (16680, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (46.4006, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(16680,'cm^3/(mol*s)'), n=2.41, Ea=(46.4006,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdH;CsJ-CdHH """, ) @@ -41098,18 +27621,11 @@ index = 2060, label = "C7H8-20 + C4H7-2 <=> C11H15-68", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1450, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (45.3964, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1450,'cm^3/(mol*s)'), n=2.41, Ea=(45.3964,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdH;CsJ-CdCsH """, ) @@ -41118,18 +27634,11 @@ index = 2061, label = "C7H8-20 + C5H9 <=> C12H17-59", degeneracy = 1.0, - kinetics = Arrhenius( - A = (188, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (41.3379, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(188,'cm^3/(mol*s)'), n=2.41, Ea=(41.3379,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdH;CsJ-CdCsCs """, ) @@ -41138,18 +27647,11 @@ index = 2062, label = "C7H8-20 + C5H7-3 <=> C12H15-57", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2930, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (65.4378, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2930,'cm^3/(mol*s)'), n=2.41, Ea=(65.4378,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdH;CsJ-CdCdH """, ) @@ -41158,18 +27660,11 @@ index = 2063, label = "C7H8-20 + C6H9-12 <=> C13H17-58", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (64.6846, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1000,'cm^3/(mol*s)'), n=2.41, Ea=(64.6846,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdH;CsJ-CdCdCs """, ) @@ -41178,18 +27673,11 @@ index = 2064, label = "C7H8-20 + C7H7-3 <=> C14H15-31", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3870, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (36.6937, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3870,'cm^3/(mol*s)'), n=2.41, Ea=(36.6937,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdH;CsJ-CbHH """, ) @@ -41198,18 +27686,11 @@ index = 2065, label = "C7H8-20 + C8H9 <=> C15H17-38", degeneracy = 1.0, - kinetics = Arrhenius( - A = (951, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (33.7649, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(951,'cm^3/(mol*s)'), n=2.41, Ea=(33.7649,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdH;CsJ-CbCsH """, ) @@ -41218,18 +27699,11 @@ index = 2066, label = "C7H8-20 + C9H11-15 <=> C16H19-33", degeneracy = 1.0, - kinetics = Arrhenius( - A = (152, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (31.5055, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(152,'cm^3/(mol*s)'), n=2.41, Ea=(31.5055,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdH;CsJ-CbCsCs """, ) @@ -41238,18 +27712,11 @@ index = 2067, label = "C7H8-20 + C3H3 <=> C10H11-43", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3570, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (35.6477, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3570,'cm^3/(mol*s)'), n=2.41, Ea=(35.6477,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdH;CsJ-CtHH """, ) @@ -41258,18 +27725,11 @@ index = 2068, label = "C7H8-20 + C4H5-12 <=> C11H13-41", degeneracy = 1.0, - kinetics = Arrhenius( - A = (806, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (33.723, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(806,'cm^3/(mol*s)'), n=2.41, Ea=(33.723,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdH;CsJ-CtCsH """, ) @@ -41278,18 +27738,11 @@ index = 2069, label = "C7H8-20 + C5H7-5 <=> C12H15-58", degeneracy = 1.0, - kinetics = Arrhenius( - A = (206, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (30.8779, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(206,'cm^3/(mol*s)'), n=2.41, Ea=(30.8779,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdH;CsJ-CtCsCs """, ) @@ -41298,18 +27751,11 @@ index = 2070, label = "C7H8-20 + C2H3 <=> C9H11-46", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5410, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (4.05848, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5410,'cm^3/(mol*s)'), n=2.41, Ea=(4.05848,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdH;CdsJ-H """, ) @@ -41318,18 +27764,11 @@ index = 2071, label = "C7H8-20 + C3H5 <=> C10H13-59", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2870, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (3.17984, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2870,'cm^3/(mol*s)'), n=2.41, Ea=(3.17984,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdH;CdsJ-Cs """, ) @@ -41338,18 +27777,11 @@ index = 2072, label = "C7H8-20 + C6H5 <=> C13H13-19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8540, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-5.89944, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8540,'cm^3/(mol*s)'), n=2.41, Ea=(-5.89944,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdH;CbJ """, ) @@ -41358,18 +27790,11 @@ index = 2073, label = "C8H10-4 + CH3 <=> C9H13-57", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8970, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (18.3259, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8970,'cm^3/(mol*s)'), n=2.41, Ea=(18.3259,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdCs;CsJ-HHH """, ) @@ -41378,18 +27803,11 @@ index = 2074, label = "C8H10-4 + C2H5 <=> C10H15-60", degeneracy = 1.0, - kinetics = Arrhenius( - A = (911, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (15.9829, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(911,'cm^3/(mol*s)'), n=2.41, Ea=(15.9829,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdCs;CsJ-CsHH """, ) @@ -41398,18 +27816,11 @@ index = 2075, label = "C8H10-4 + C3H7-2 <=> C11H17-46", degeneracy = 1.0, - kinetics = Arrhenius( - A = (731, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (10.9621, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(731,'cm^3/(mol*s)'), n=2.41, Ea=(10.9621,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdCs;CsJ-CsCsH """, ) @@ -41418,18 +27829,11 @@ index = 2076, label = "C8H10-4 + C4H9 <=> C12H19-23", degeneracy = 1.0, - kinetics = Arrhenius( - A = (541, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (5.06264, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(541,'cm^3/(mol*s)'), n=2.41, Ea=(5.06264,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdCs;CsJ-CsCsCs """, ) @@ -41438,18 +27842,11 @@ index = 2077, label = "C8H10-4 + allyl <=> C11H15-69", degeneracy = 2.0, - kinetics = Arrhenius( - A = (18920, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (44.6433, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(18920,'cm^3/(mol*s)'), n=2.41, Ea=(44.6433,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdCs;CsJ-CdHH """, ) @@ -41458,18 +27855,11 @@ index = 2078, label = "C8H10-4 + C4H7-2 <=> C12H17-60", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1650, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.6391, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1650,'cm^3/(mol*s)'), n=2.41, Ea=(43.6391,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdCs;CsJ-CdCsH """, ) @@ -41478,18 +27868,11 @@ index = 2079, label = "C8H10-4 + C5H9 <=> C13H19-36", degeneracy = 1.0, - kinetics = Arrhenius( - A = (213, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (39.5806, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(213,'cm^3/(mol*s)'), n=2.41, Ea=(39.5806,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdCs;CsJ-CdCsCs """, ) @@ -41498,18 +27881,11 @@ index = 2080, label = "C8H10-4 + C5H7-3 <=> C13H17-59", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3320, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (63.6805, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3320,'cm^3/(mol*s)'), n=2.41, Ea=(63.6805,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdCs;CsJ-CdCdH """, ) @@ -41518,18 +27894,11 @@ index = 2081, label = "C8H10-4 + C6H9-12 <=> C14H19-42", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1130, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (62.9274, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1130,'cm^3/(mol*s)'), n=2.41, Ea=(62.9274,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdCs;CsJ-CdCdCs """, ) @@ -41538,18 +27907,11 @@ index = 2082, label = "C8H10-4 + C7H7-3 <=> C15H17-39", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4390, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (34.9364, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4390,'cm^3/(mol*s)'), n=2.41, Ea=(34.9364,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdCs;CsJ-CbHH """, ) @@ -41558,18 +27920,11 @@ index = 2083, label = "C8H10-4 + C8H9 <=> C16H19-34", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1080, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (32.0076, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1080,'cm^3/(mol*s)'), n=2.41, Ea=(32.0076,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdCs;CsJ-CbCsH """, ) @@ -41578,18 +27933,11 @@ index = 2084, label = "C8H10-4 + C9H11-15 <=> C17H21-19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (173, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (29.7482, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(173,'cm^3/(mol*s)'), n=2.41, Ea=(29.7482,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdCs;CsJ-CbCsCs """, ) @@ -41598,18 +27946,11 @@ index = 2085, label = "C8H10-4 + C3H3 <=> C11H13-42", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4060, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (33.8904, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4060,'cm^3/(mol*s)'), n=2.41, Ea=(33.8904,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdCs;CsJ-CtHH """, ) @@ -41618,18 +27959,11 @@ index = 2086, label = "C8H10-4 + C4H5-12 <=> C12H15-59", degeneracy = 1.0, - kinetics = Arrhenius( - A = (915, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (31.9658, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(915,'cm^3/(mol*s)'), n=2.41, Ea=(31.9658,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdCs;CsJ-CtCsH """, ) @@ -41638,18 +27972,11 @@ index = 2087, label = "C8H10-4 + C5H7-5 <=> C13H17-60", degeneracy = 1.0, - kinetics = Arrhenius( - A = (233, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (29.1206, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(233,'cm^3/(mol*s)'), n=2.41, Ea=(29.1206,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdCs;CsJ-CtCsCs """, ) @@ -41658,18 +27985,11 @@ index = 2088, label = "C8H10-4 + C2H3 <=> C10H13-60", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6130, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (2.34304, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6130,'cm^3/(mol*s)'), n=2.41, Ea=(2.34304,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdCs;CdsJ-H """, ) @@ -41678,18 +27998,11 @@ index = 2089, label = "C8H10-4 + C3H5 <=> C11H15-70", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3250, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (1.42256, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3250,'cm^3/(mol*s)'), n=2.41, Ea=(1.42256,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdCs;CdsJ-Cs """, ) @@ -41698,18 +28011,11 @@ index = 2090, label = "C8H10-4 + C6H5 <=> C14H15-32", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9690, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-7.65672, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9690,'cm^3/(mol*s)'), n=2.41, Ea=(-7.65672,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdCs;CbJ """, ) @@ -41718,18 +28024,11 @@ index = 2091, label = "C9H10-12 + CH3 <=> C10H13-61", degeneracy = 1.0, - kinetics = Arrhenius( - A = (27300, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (14.5603, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(27300,'cm^3/(mol*s)'), n=2.41, Ea=(14.5603,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdCd;CsJ-HHH """, ) @@ -41738,18 +28037,11 @@ index = 2092, label = "C9H10-12 + C2H5 <=> C11H15-71", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2780, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (12.1754, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2780,'cm^3/(mol*s)'), n=2.41, Ea=(12.1754,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdCd;CsJ-CsHH """, ) @@ -41758,18 +28050,11 @@ index = 2093, label = "C9H10-12 + C3H7-2 <=> C12H17-61", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2230, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (7.19648, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2230,'cm^3/(mol*s)'), n=2.41, Ea=(7.19648,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdCd;CsJ-CsCsH """, ) @@ -41778,18 +28063,11 @@ index = 2094, label = "C9H10-12 + C4H9 <=> C13H19-37", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1650, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (1.2552, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1650,'cm^3/(mol*s)'), n=2.41, Ea=(1.2552,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdCd;CsJ-CsCsCs """, ) @@ -41798,18 +28076,11 @@ index = 2095, label = "C9H10-12 + allyl <=> C12H15-60", degeneracy = 2.0, - kinetics = Arrhenius( - A = (57600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (40.8777, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(57600,'cm^3/(mol*s)'), n=2.41, Ea=(40.8777,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdCd;CsJ-CdHH """, ) @@ -41818,18 +28089,11 @@ index = 2096, label = "C9H10-12 + C4H7-2 <=> C13H17-61", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5020, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (39.8735, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5020,'cm^3/(mol*s)'), n=2.41, Ea=(39.8735,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdCd;CsJ-CdCsH """, ) @@ -41838,18 +28102,11 @@ index = 2097, label = "C9H10-12 + C5H9 <=> C14H19-43", degeneracy = 1.0, - kinetics = Arrhenius( - A = (650, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (35.815, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(650,'cm^3/(mol*s)'), n=2.41, Ea=(35.815,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdCd;CsJ-CdCsCs """, ) @@ -41858,18 +28115,11 @@ index = 2098, label = "C9H10-12 + C5H7-3 <=> C14H17-68", degeneracy = 1.0, - kinetics = Arrhenius( - A = (10100, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (59.9149, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(10100,'cm^3/(mol*s)'), n=2.41, Ea=(59.9149,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdCd;CsJ-CdCdH """, ) @@ -41878,18 +28128,11 @@ index = 2099, label = "C9H10-12 + C6H9-12 <=> C15H19-54", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3460, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (59.1618, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3460,'cm^3/(mol*s)'), n=2.41, Ea=(59.1618,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdCd;CsJ-CdCdCs """, ) @@ -41898,18 +28141,11 @@ index = 2100, label = "C9H10-12 + C7H7-3 <=> C16H17-32", degeneracy = 1.0, - kinetics = Arrhenius( - A = (13400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (31.1708, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(13400,'cm^3/(mol*s)'), n=2.41, Ea=(31.1708,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdCd;CsJ-CbHH """, ) @@ -41918,18 +28154,11 @@ index = 2101, label = "C9H10-12 + C8H9 <=> C17H19-32", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3290, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (28.242, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3290,'cm^3/(mol*s)'), n=2.41, Ea=(28.242,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdCd;CsJ-CbCsH """, ) @@ -41938,18 +28167,11 @@ index = 2102, label = "C9H10-12 + C9H11-15 <=> C18H21-24", degeneracy = 1.0, - kinetics = Arrhenius( - A = (526, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (25.9826, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(526,'cm^3/(mol*s)'), n=2.41, Ea=(25.9826,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdCd;CsJ-CbCsCs """, ) @@ -41958,18 +28180,11 @@ index = 2103, label = "C9H10-12 + C3H3 <=> C12H13-38", degeneracy = 1.0, - kinetics = Arrhenius( - A = (12400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (30.1248, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(12400,'cm^3/(mol*s)'), n=2.41, Ea=(30.1248,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdCd;CsJ-CtHH """, ) @@ -41978,18 +28193,11 @@ index = 2104, label = "C9H10-12 + C4H5-12 <=> C13H15-60", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2790, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (28.2002, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2790,'cm^3/(mol*s)'), n=2.41, Ea=(28.2002,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdCd;CsJ-CtCsH """, ) @@ -41998,18 +28206,11 @@ index = 2105, label = "C9H10-12 + C5H7-5 <=> C14H17-69", degeneracy = 1.0, - kinetics = Arrhenius( - A = (711, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (25.355, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(711,'cm^3/(mol*s)'), n=2.41, Ea=(25.355,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdCd;CsJ-CtCsCs """, ) @@ -42018,18 +28219,11 @@ index = 2106, label = "C9H10-12 + C2H3 <=> C11H13-43", degeneracy = 1.0, - kinetics = Arrhenius( - A = (18700, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-1.4644, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(18700,'cm^3/(mol*s)'), n=2.41, Ea=(-1.4644,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdCd;CdsJ-H """, ) @@ -42038,18 +28232,11 @@ index = 2107, label = "C9H10-12 + C3H5 <=> C12H15-61", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9910, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-2.34304, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9910,'cm^3/(mol*s)'), n=2.41, Ea=(-2.34304,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdCd;CdsJ-Cs """, ) @@ -42058,18 +28245,11 @@ index = 2108, label = "C9H10-12 + C6H5 <=> C15H15-23", degeneracy = 1.0, - kinetics = Arrhenius( - A = (29500, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-11.4223, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(29500,'cm^3/(mol*s)'), n=2.41, Ea=(-11.4223,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdCd;CbJ """, ) @@ -42078,18 +28258,11 @@ index = 2109, label = "C11H10-4 + CH3 <=> C12H13-39", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2580, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (27.447, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2580,'cm^3/(mol*s)'), n=2.41, Ea=(27.447,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CbH;CsJ-HHH """, ) @@ -42098,18 +28271,11 @@ index = 2110, label = "C11H10-4 + C2H5 <=> C13H15-61", degeneracy = 1.0, - kinetics = Arrhenius( - A = (262, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (25.0622, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(262,'cm^3/(mol*s)'), n=2.41, Ea=(25.0622,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CbH;CsJ-CsHH """, ) @@ -42118,18 +28284,11 @@ index = 2111, label = "C11H10-4 + C3H7-2 <=> C14H17-70", degeneracy = 1.0, - kinetics = Arrhenius( - A = (210, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (20.0414, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(210,'cm^3/(mol*s)'), n=2.41, Ea=(20.0414,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CbH;CsJ-CsCsH """, ) @@ -42138,18 +28297,11 @@ index = 2112, label = "C11H10-4 + C4H9 <=> C15H19-55", degeneracy = 1.0, - kinetics = Arrhenius( - A = (156, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (14.1419, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(156,'cm^3/(mol*s)'), n=2.41, Ea=(14.1419,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CbH;CsJ-CsCsCs """, ) @@ -42158,18 +28310,11 @@ index = 2113, label = "C11H10-4 + allyl <=> C14H15-33", degeneracy = 2.0, - kinetics = Arrhenius( - A = (5440, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (53.7644, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5440,'cm^3/(mol*s)'), n=2.41, Ea=(53.7644,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CbH;CsJ-CdHH """, ) @@ -42178,18 +28323,11 @@ index = 2114, label = "C11H10-4 + C4H7-2 <=> C15H17-40", degeneracy = 1.0, - kinetics = Arrhenius( - A = (474, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (52.7602, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(474,'cm^3/(mol*s)'), n=2.41, Ea=(52.7602,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CbH;CsJ-CdCsH """, ) @@ -42198,18 +28336,11 @@ index = 2115, label = "C11H10-4 + C5H9 <=> C16H19-35", degeneracy = 1.0, - kinetics = Arrhenius( - A = (61.3, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (48.6599, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(61.3,'cm^3/(mol*s)'), n=2.41, Ea=(48.6599,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CbH;CsJ-CdCsCs """, ) @@ -42218,18 +28349,11 @@ index = 2116, label = "C11H10-4 + C5H7-3 <=> C16H17-33", degeneracy = 1.0, - kinetics = Arrhenius( - A = (956, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (72.7598, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(956,'cm^3/(mol*s)'), n=2.41, Ea=(72.7598,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CbH;CsJ-CdCdH """, ) @@ -42238,18 +28362,11 @@ index = 2117, label = "C11H10-4 + C6H9-12 <=> C17H19-33", degeneracy = 1.0, - kinetics = Arrhenius( - A = (326, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (72.0066, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(326,'cm^3/(mol*s)'), n=2.41, Ea=(72.0066,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CbH;CsJ-CdCdCs """, ) @@ -42258,18 +28375,11 @@ index = 2118, label = "C11H10-4 + C7H7-3 <=> C18H17-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1260, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (44.0157, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1260,'cm^3/(mol*s)'), n=2.41, Ea=(44.0157,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CbH;CsJ-CbHH """, ) @@ -42278,18 +28388,11 @@ index = 2119, label = "C11H10-4 + C8H9 <=> C19H19-16", degeneracy = 1.0, - kinetics = Arrhenius( - A = (310, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (41.0869, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(310,'cm^3/(mol*s)'), n=2.41, Ea=(41.0869,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CbH;CsJ-CbCsH """, ) @@ -42298,18 +28401,11 @@ index = 2120, label = "C11H10-4 + C9H11-15 <=> C20H21-15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (49.7, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (38.8694, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(49.7,'cm^3/(mol*s)'), n=2.41, Ea=(38.8694,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CbH;CsJ-CbCsCs """, ) @@ -42318,18 +28414,11 @@ index = 2121, label = "C3H3 + C11H10-4 <=> C14H13-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1170, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (42.9697, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1170,'cm^3/(mol*s)'), n=2.41, Ea=(42.9697,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CbH;CsJ-CtHH """, ) @@ -42338,18 +28427,11 @@ index = 2122, label = "C4H5-12 + C11H10-4 <=> C15H15-24", degeneracy = 1.0, - kinetics = Arrhenius( - A = (263, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (41.045, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(263,'cm^3/(mol*s)'), n=2.41, Ea=(41.045,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CbH;CsJ-CtCsH """, ) @@ -42358,18 +28440,11 @@ index = 2123, label = "C5H7-5 + C11H10-4 <=> C16H17-34", degeneracy = 1.0, - kinetics = Arrhenius( - A = (67.1, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (38.1999, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(67.1,'cm^3/(mol*s)'), n=2.41, Ea=(38.1999,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CbH;CsJ-CtCsCs """, ) @@ -42378,18 +28453,11 @@ index = 2124, label = "C11H10-4 + C2H3 <=> C13H13-20", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1760, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (11.4223, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1760,'cm^3/(mol*s)'), n=2.41, Ea=(11.4223,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CbH;CdsJ-H """, ) @@ -42398,18 +28466,11 @@ index = 2125, label = "C11H10-4 + C3H5 <=> C14H15-34", degeneracy = 1.0, - kinetics = Arrhenius( - A = (936, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (10.5018, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(936,'cm^3/(mol*s)'), n=2.41, Ea=(10.5018,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CbH;CdsJ-Cs """, ) @@ -42418,18 +28479,11 @@ index = 2126, label = "C11H10-4 + C6H5 <=> C17H15-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2790, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (1.42256, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2790,'cm^3/(mol*s)'), n=2.41, Ea=(1.42256,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CbH;CbJ """, ) @@ -42438,18 +28492,11 @@ index = 2127, label = "C12H12-4 + CH3 <=> C13H15-62", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5470, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (26.7776, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5470,'cm^3/(mol*s)'), n=2.41, Ea=(26.7776,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CbCs;CsJ-HHH """, ) @@ -42458,18 +28505,11 @@ index = 2128, label = "C12H12-4 + C2H5 <=> C14H17-71", degeneracy = 1.0, - kinetics = Arrhenius( - A = (556, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (24.3927, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(556,'cm^3/(mol*s)'), n=2.41, Ea=(24.3927,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CbCs;CsJ-CsHH """, ) @@ -42478,18 +28518,11 @@ index = 2129, label = "C12H12-4 + C3H7-2 <=> C15H19-56", degeneracy = 1.0, - kinetics = Arrhenius( - A = (446, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (19.3719, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(446,'cm^3/(mol*s)'), n=2.41, Ea=(19.3719,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CbCs;CsJ-CsCsH """, ) @@ -42498,18 +28531,11 @@ index = 2130, label = "C12H12-4 + C4H9 <=> C16H21-30", degeneracy = 1.0, - kinetics = Arrhenius( - A = (330, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (13.4725, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(330,'cm^3/(mol*s)'), n=2.41, Ea=(13.4725,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CbCs;CsJ-CsCsCs """, ) @@ -42518,18 +28544,11 @@ index = 2131, label = "C12H12-4 + allyl <=> C15H17-41", degeneracy = 2.0, - kinetics = Arrhenius( - A = (11540, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (53.095, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(11540,'cm^3/(mol*s)'), n=2.41, Ea=(53.095,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CbCs;CsJ-CdHH """, ) @@ -42538,18 +28557,11 @@ index = 2132, label = "C12H12-4 + C4H7-2 <=> C16H19-36", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1010, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (52.0908, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1010,'cm^3/(mol*s)'), n=2.41, Ea=(52.0908,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CbCs;CsJ-CdCsH """, ) @@ -42558,18 +28570,11 @@ index = 2133, label = "C12H12-4 + C5H9 <=> C17H21-20", degeneracy = 1.0, - kinetics = Arrhenius( - A = (130, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (47.9905, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(130,'cm^3/(mol*s)'), n=2.41, Ea=(47.9905,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CbCs;CsJ-CdCsCs """, ) @@ -42578,18 +28583,11 @@ index = 2134, label = "C12H12-4 + C5H7-3 <=> C17H19-34", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2030, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (72.0903, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2030,'cm^3/(mol*s)'), n=2.41, Ea=(72.0903,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CbCs;CsJ-CdCdH """, ) @@ -42598,18 +28596,11 @@ index = 2135, label = "C12H12-4 + C6H9-12 <=> C18H21-25", degeneracy = 1.0, - kinetics = Arrhenius( - A = (692, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (71.3372, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(692,'cm^3/(mol*s)'), n=2.41, Ea=(71.3372,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CbCs;CsJ-CdCdCs """, ) @@ -42618,18 +28609,11 @@ index = 2136, label = "C12H12-4 + C7H7-3 <=> C19H19-17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2680, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.3462, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2680,'cm^3/(mol*s)'), n=2.41, Ea=(43.3462,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CbCs;CsJ-CbHH """, ) @@ -42638,18 +28622,11 @@ index = 2137, label = "C12H12-4 + C8H9 <=> C20H21-16", degeneracy = 1.0, - kinetics = Arrhenius( - A = (658, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (40.4174, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(658,'cm^3/(mol*s)'), n=2.41, Ea=(40.4174,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CbCs;CsJ-CbCsH """, ) @@ -42658,18 +28635,11 @@ index = 2138, label = "C12H12-4 + C9H11-15 <=> C21H23-10", degeneracy = 1.0, - kinetics = Arrhenius( - A = (105, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (38.1999, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(105,'cm^3/(mol*s)'), n=2.41, Ea=(38.1999,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CbCs;CsJ-CbCsCs """, ) @@ -42678,18 +28648,11 @@ index = 2139, label = "C12H12-4 + C3H3 <=> C15H15-25", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2470, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (42.3002, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2470,'cm^3/(mol*s)'), n=2.41, Ea=(42.3002,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CbCs;CsJ-CtHH """, ) @@ -42698,18 +28661,11 @@ index = 2140, label = "C4H5-12 + C12H12-4 <=> C16H17-35", degeneracy = 1.0, - kinetics = Arrhenius( - A = (558, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (40.3756, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(558,'cm^3/(mol*s)'), n=2.41, Ea=(40.3756,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CbCs;CsJ-CtCsH """, ) @@ -42718,18 +28674,11 @@ index = 2141, label = "C5H7-5 + C12H12-4 <=> C17H19-35", degeneracy = 1.0, - kinetics = Arrhenius( - A = (142, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (37.5305, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(142,'cm^3/(mol*s)'), n=2.41, Ea=(37.5305,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CbCs;CsJ-CtCsCs """, ) @@ -42738,18 +28687,11 @@ index = 2142, label = "C12H12-4 + C2H3 <=> C14H15-35", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3740, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (10.7529, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3740,'cm^3/(mol*s)'), n=2.41, Ea=(10.7529,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CbCs;CdsJ-H """, ) @@ -42758,18 +28700,11 @@ index = 2143, label = "C12H12-4 + C3H5 <=> C15H17-42", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1980, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (9.8324, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1980,'cm^3/(mol*s)'), n=2.41, Ea=(9.8324,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CbCs;CdsJ-Cs """, ) @@ -42778,18 +28713,11 @@ index = 2144, label = "C12H12-4 + C6H5 <=> C18H17-13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5910, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (0.75312, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5910,'cm^3/(mol*s)'), n=2.41, Ea=(0.75312,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CbCs;CbJ """, ) @@ -42798,18 +28726,11 @@ index = 2145, label = "C7H6-5 + CH3 <=> C8H9-16", degeneracy = 1.0, - kinetics = Arrhenius( - A = (10200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (19.4556, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(10200,'cm^3/(mol*s)'), n=2.41, Ea=(19.4556,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CtH;CsJ-HHH """, ) @@ -42818,18 +28739,11 @@ index = 2146, label = "C7H6-5 + C2H5 <=> C9H11-47", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1040, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (17.0707, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1040,'cm^3/(mol*s)'), n=2.41, Ea=(17.0707,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CtH;CsJ-CsHH """, ) @@ -42838,18 +28752,11 @@ index = 2147, label = "C7H6-5 + C3H7-2 <=> C10H13-62", degeneracy = 1.0, - kinetics = Arrhenius( - A = (834, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (12.0499, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(834,'cm^3/(mol*s)'), n=2.41, Ea=(12.0499,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CtH;CsJ-CsCsH """, ) @@ -42858,18 +28765,11 @@ index = 2148, label = "C7H6-5 + C4H9 <=> C11H15-72", degeneracy = 1.0, - kinetics = Arrhenius( - A = (618, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (6.15048, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(618,'cm^3/(mol*s)'), n=2.41, Ea=(6.15048,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CtH;CsJ-CsCsCs """, ) @@ -42878,18 +28778,11 @@ index = 2149, label = "C7H6-5 + allyl <=> C10H11-44", degeneracy = 2.0, - kinetics = Arrhenius( - A = (21600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (45.773, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(21600,'cm^3/(mol*s)'), n=2.41, Ea=(45.773,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CtH;CsJ-CdHH """, ) @@ -42898,18 +28791,11 @@ index = 2150, label = "C7H6-5 + C4H7-2 <=> C11H13-44", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1880, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (44.7688, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1880,'cm^3/(mol*s)'), n=2.41, Ea=(44.7688,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CtH;CsJ-CdCsH """, ) @@ -42918,18 +28804,11 @@ index = 2151, label = "C7H6-5 + C5H9 <=> C12H15-62", degeneracy = 1.0, - kinetics = Arrhenius( - A = (243, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (40.7103, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(243,'cm^3/(mol*s)'), n=2.41, Ea=(40.7103,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CtH;CsJ-CdCsCs """, ) @@ -42938,18 +28817,11 @@ index = 2152, label = "C7H6-5 + C5H7-3 <=> C12H13-40", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (64.7683, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3800,'cm^3/(mol*s)'), n=2.41, Ea=(64.7683,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CtH;CsJ-CdCdH """, ) @@ -42958,18 +28830,11 @@ index = 2153, label = "C7H6-5 + C6H9-12 <=> C13H15-63", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1300, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (64.0152, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1300,'cm^3/(mol*s)'), n=2.41, Ea=(64.0152,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CtH;CsJ-CdCdCs """, ) @@ -42978,18 +28843,11 @@ index = 2154, label = "C7H6-5 + C7H7-3 <=> C14H13-13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5010, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (36.0242, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5010,'cm^3/(mol*s)'), n=2.41, Ea=(36.0242,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CtH;CsJ-CbHH """, ) @@ -42998,18 +28856,11 @@ index = 2155, label = "C7H6-5 + C8H9 <=> C15H15-26", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1230, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (33.1373, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1230,'cm^3/(mol*s)'), n=2.41, Ea=(33.1373,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CtH;CsJ-CbCsH """, ) @@ -43018,18 +28869,11 @@ index = 2156, label = "C7H6-5 + C9H11-15 <=> C16H17-36", degeneracy = 1.0, - kinetics = Arrhenius( - A = (197, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (30.8779, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(197,'cm^3/(mol*s)'), n=2.41, Ea=(30.8779,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CtH;CsJ-CbCsCs """, ) @@ -43038,18 +28882,11 @@ index = 2157, label = "C7H6-5 + C3H3 <=> C10H9-36", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4630, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (35.0201, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4630,'cm^3/(mol*s)'), n=2.41, Ea=(35.0201,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CtH;CsJ-CtHH """, ) @@ -43058,18 +28895,11 @@ index = 2158, label = "C7H6-5 + C4H5-12 <=> C11H11-18", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1040, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (33.0536, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1040,'cm^3/(mol*s)'), n=2.41, Ea=(33.0536,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CtH;CsJ-CtCsH """, ) @@ -43078,18 +28908,11 @@ index = 2159, label = "C5H7-5 + C7H6-5 <=> C12H13-41", degeneracy = 1.0, - kinetics = Arrhenius( - A = (266, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (30.2085, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(266,'cm^3/(mol*s)'), n=2.41, Ea=(30.2085,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CtH;CsJ-CtCsCs """, ) @@ -43098,18 +28921,11 @@ index = 2160, label = "C7H6-5 + C2H3 <=> C9H9-27", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7010, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (3.43088, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7010,'cm^3/(mol*s)'), n=2.41, Ea=(3.43088,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CtH;CdsJ-H """, ) @@ -43118,18 +28934,11 @@ index = 2161, label = "C7H6-5 + C3H5 <=> C10H11-45", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3720, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (2.55224, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3720,'cm^3/(mol*s)'), n=2.41, Ea=(2.55224,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CtH;CdsJ-Cs """, ) @@ -43138,18 +28947,11 @@ index = 2162, label = "C7H6-5 + C6H5 <=> C13H11-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (11100, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-6.56888, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(11100,'cm^3/(mol*s)'), n=2.41, Ea=(-6.56888,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CtH;CbJ """, ) @@ -43158,18 +28960,11 @@ index = 2163, label = "C8H8-6 + CH3 <=> C9H11-48", degeneracy = 2.0, - kinetics = Arrhenius( - A = (21000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (19.079, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(21000,'cm^3/(mol*s)'), n=2.41, Ea=(19.079,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CtCs;CsJ-HHH """, ) @@ -43178,18 +28973,11 @@ index = 2164, label = "C8H8-6 + C2H5 <=> C10H13-63", degeneracy = 2.0, - kinetics = Arrhenius( - A = (2120, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (16.6942, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2120,'cm^3/(mol*s)'), n=2.41, Ea=(16.6942,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CtCs;CsJ-CsHH """, ) @@ -43198,18 +28986,11 @@ index = 2165, label = "C8H8-6 + C3H7-2 <=> C11H15-73", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1708, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (11.7152, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1708,'cm^3/(mol*s)'), n=2.41, Ea=(11.7152,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CtCs;CsJ-CsCsH """, ) @@ -43218,18 +28999,11 @@ index = 2166, label = "C8H8-6 + C4H9 <=> C12H17-62", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1266, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (5.77392, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1266,'cm^3/(mol*s)'), n=2.41, Ea=(5.77392,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CtCs;CsJ-CsCsCs """, ) @@ -43238,18 +29012,11 @@ index = 2167, label = "C8H8-6 + allyl <=> C11H13-45", degeneracy = 4.0, - kinetics = Arrhenius( - A = (44400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (45.3964, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(44400,'cm^3/(mol*s)'), n=2.41, Ea=(45.3964,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CtCs;CsJ-CdHH """, ) @@ -43258,18 +29025,11 @@ index = 2168, label = "C8H8-6 + C4H7-2 <=> C12H15-63", degeneracy = 2.0, - kinetics = Arrhenius( - A = (3860, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (44.3922, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3860,'cm^3/(mol*s)'), n=2.41, Ea=(44.3922,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CtCs;CsJ-CdCsH """, ) @@ -43278,18 +29038,11 @@ index = 2169, label = "C8H8-6 + C5H9 <=> C13H17-62", degeneracy = 2.0, - kinetics = Arrhenius( - A = (498, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (40.3338, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(498,'cm^3/(mol*s)'), n=2.41, Ea=(40.3338,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CtCs;CsJ-CdCsCs """, ) @@ -43298,18 +29051,11 @@ index = 2170, label = "C8H8-6 + C5H7-3 <=> C13H15-64", degeneracy = 2.0, - kinetics = Arrhenius( - A = (7780, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (64.4336, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7780,'cm^3/(mol*s)'), n=2.41, Ea=(64.4336,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CtCs;CsJ-CdCdH """, ) @@ -43318,18 +29064,11 @@ index = 2171, label = "C8H8-6 + C6H9-12 <=> C14H17-72", degeneracy = 2.0, - kinetics = Arrhenius( - A = (2660, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (63.6805, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2660,'cm^3/(mol*s)'), n=2.41, Ea=(63.6805,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CtCs;CsJ-CdCdCs """, ) @@ -43338,18 +29077,11 @@ index = 2172, label = "C8H8-6 + C7H7-3 <=> C15H15-27", degeneracy = 2.0, - kinetics = Arrhenius( - A = (10260, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (35.6895, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(10260,'cm^3/(mol*s)'), n=2.41, Ea=(35.6895,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CtCs;CsJ-CbHH """, ) @@ -43358,18 +29090,11 @@ index = 2173, label = "C8H8-6 + C8H9 <=> C16H17-37", degeneracy = 2.0, - kinetics = Arrhenius( - A = (2520, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (32.7607, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2520,'cm^3/(mol*s)'), n=2.41, Ea=(32.7607,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CtCs;CsJ-CbCsH """, ) @@ -43378,18 +29103,11 @@ index = 2174, label = "C8H8-6 + C9H11-15 <=> C17H19-36", degeneracy = 2.0, - kinetics = Arrhenius( - A = (404, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (30.5014, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(404,'cm^3/(mol*s)'), n=2.41, Ea=(30.5014,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CtCs;CsJ-CbCsCs """, ) @@ -43398,18 +29116,11 @@ index = 2175, label = "C8H8-6 + C3H3 <=> C11H11-19", degeneracy = 2.0, - kinetics = Arrhenius( - A = (9480, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (34.6435, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9480,'cm^3/(mol*s)'), n=2.41, Ea=(34.6435,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CtCs;CsJ-CtHH """, ) @@ -43418,18 +29129,11 @@ index = 2176, label = "C4H5-12 + C8H8-6 <=> C12H13-42", degeneracy = 2.0, - kinetics = Arrhenius( - A = (2140, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (32.7189, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2140,'cm^3/(mol*s)'), n=2.41, Ea=(32.7189,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CtCs;CsJ-CtCsH """, ) @@ -43438,18 +29142,11 @@ index = 2177, label = "C8H8-6 + C5H7-5 <=> C13H15-65", degeneracy = 2.0, - kinetics = Arrhenius( - A = (546, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (29.8738, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(546,'cm^3/(mol*s)'), n=2.41, Ea=(29.8738,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CtCs;CsJ-CtCsCs """, ) @@ -43458,18 +29155,11 @@ index = 2178, label = "C8H8-6 + C2H3 <=> C10H11-46", degeneracy = 2.0, - kinetics = Arrhenius( - A = (14340, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (3.05432, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(14340,'cm^3/(mol*s)'), n=2.41, Ea=(3.05432,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CtCs;CdsJ-H """, ) @@ -43478,18 +29168,11 @@ index = 2179, label = "C8H8-6 + C3H5 <=> C11H13-46", degeneracy = 2.0, - kinetics = Arrhenius( - A = (7600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (2.17568, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7600,'cm^3/(mol*s)'), n=2.41, Ea=(2.17568,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CtCs;CdsJ-Cs """, ) @@ -43498,18 +29181,11 @@ index = 2180, label = "C8H8-6 + C6H5 <=> C14H13-14", degeneracy = 2.0, - kinetics = Arrhenius( - A = (22600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-6.9036, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(22600,'cm^3/(mol*s)'), n=2.41, Ea=(-6.9036,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CtCs;CbJ """, ) @@ -43518,18 +29194,11 @@ index = 2181, label = "C6H6-8 + CH3 <=> C7H9-46", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7570, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (35.4803, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7570,'cm^3/(mol*s)'), n=2.41, Ea=(35.4803,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Ca;CsJ-HHH """, ) @@ -43538,18 +29207,11 @@ index = 2182, label = "C6H6-8 + C2H5 <=> C8H11-39", degeneracy = 1.0, - kinetics = Arrhenius( - A = (769, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (33.0954, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(769,'cm^3/(mol*s)'), n=2.41, Ea=(33.0954,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Ca;CsJ-CsHH """, ) @@ -43558,18 +29220,11 @@ index = 2183, label = "C6H6-8 + C3H7-2 <=> C9H13-58", degeneracy = 1.0, - kinetics = Arrhenius( - A = (616, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (28.0746, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(616,'cm^3/(mol*s)'), n=2.41, Ea=(28.0746,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Ca;CsJ-CsCsH """, ) @@ -43578,18 +29233,11 @@ index = 2184, label = "C6H6-8 + C4H9 <=> C10H15-61", degeneracy = 1.0, - kinetics = Arrhenius( - A = (457, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (22.1752, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(457,'cm^3/(mol*s)'), n=2.41, Ea=(22.1752,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Ca;CsJ-CsCsCs """, ) @@ -43598,18 +29246,11 @@ index = 2185, label = "C6H6-8 + allyl <=> C9H11-49", degeneracy = 2.0, - kinetics = Arrhenius( - A = (15960, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (61.7977, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(15960,'cm^3/(mol*s)'), n=2.41, Ea=(61.7977,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Ca;CsJ-CdHH """, ) @@ -43618,18 +29259,11 @@ index = 2186, label = "C6H6-8 + C4H7-2 <=> C10H13-64", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1390, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (60.7935, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1390,'cm^3/(mol*s)'), n=2.41, Ea=(60.7935,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Ca;CsJ-CdCsH """, ) @@ -43638,18 +29272,11 @@ index = 2187, label = "C6H6-8 + C5H9 <=> C11H15-74", degeneracy = 1.0, - kinetics = Arrhenius( - A = (180, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (56.6932, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(180,'cm^3/(mol*s)'), n=2.41, Ea=(56.6932,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Ca;CsJ-CdCsCs """, ) @@ -43658,18 +29285,11 @@ index = 2188, label = "C6H6-8 + C5H7-3 <=> C11H13-47", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (80.793, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2800,'cm^3/(mol*s)'), n=2.41, Ea=(80.793,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Ca;CsJ-CdCdH """, ) @@ -43678,18 +29298,11 @@ index = 2189, label = "C6H6-8 + C6H9-12 <=> C12H15-64", degeneracy = 1.0, - kinetics = Arrhenius( - A = (957, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (80.0399, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(957,'cm^3/(mol*s)'), n=2.41, Ea=(80.0399,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Ca;CsJ-CdCdCs """, ) @@ -43698,18 +29311,11 @@ index = 2190, label = "C6H6-8 + C7H7-3 <=> C13H13-21", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3700, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (52.049, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3700,'cm^3/(mol*s)'), n=2.41, Ea=(52.049,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Ca;CsJ-CbHH """, ) @@ -43718,18 +29324,11 @@ index = 2191, label = "C6H6-8 + C8H9 <=> C14H15-36", degeneracy = 1.0, - kinetics = Arrhenius( - A = (911, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (49.1202, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(911,'cm^3/(mol*s)'), n=2.41, Ea=(49.1202,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Ca;CsJ-CbCsH """, ) @@ -43738,18 +29337,11 @@ index = 2192, label = "C6H6-8 + C9H11-15 <=> C15H17-43", degeneracy = 1.0, - kinetics = Arrhenius( - A = (146, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (46.9026, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(146,'cm^3/(mol*s)'), n=2.41, Ea=(46.9026,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Ca;CsJ-CbCsCs """, ) @@ -43758,18 +29350,11 @@ index = 2193, label = "C3H3 + C6H6-8 <=> C9H9-28", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3420, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (51.003, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3420,'cm^3/(mol*s)'), n=2.41, Ea=(51.003,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Ca;CsJ-CtHH """, ) @@ -43778,18 +29363,11 @@ index = 2194, label = "C6H6-8 + C4H5-12 <=> C10H11-47", degeneracy = 1.0, - kinetics = Arrhenius( - A = (772, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (49.0783, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(772,'cm^3/(mol*s)'), n=2.41, Ea=(49.0783,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Ca;CsJ-CtCsH """, ) @@ -43798,18 +29376,11 @@ index = 2195, label = "C5H7-5 + C6H6-8 <=> C11H13-48", degeneracy = 1.0, - kinetics = Arrhenius( - A = (197, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (46.2332, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(197,'cm^3/(mol*s)'), n=2.41, Ea=(46.2332,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Ca;CsJ-CtCsCs """, ) @@ -43818,18 +29389,11 @@ index = 2196, label = "C6H6-8 + C2H3 <=> C8H9-17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5180, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (19.4556, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5180,'cm^3/(mol*s)'), n=2.41, Ea=(19.4556,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Ca;CdsJ-H """, ) @@ -43838,18 +29402,11 @@ index = 2197, label = "C6H6-8 + C3H5 <=> C9H11-50", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2740, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (18.5351, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2740,'cm^3/(mol*s)'), n=2.41, Ea=(18.5351,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Ca;CdsJ-Cs """, ) @@ -43858,18 +29415,11 @@ index = 2198, label = "C6H6-8 + C6H5 <=> C12H11-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8180, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (9.45584, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8180,'cm^3/(mol*s)'), n=2.41, Ea=(9.45584,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Ca;CbJ """, ) @@ -43878,18 +29428,11 @@ index = 2199, label = "CH3 + C3H4 <=> C4H7-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (39000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (32.4678, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(39000,'cm^3/(mol*s)'), n=2.41, Ea=(32.4678,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-HH;CsJ-HHH """, ) @@ -43898,18 +29441,11 @@ index = 2200, label = "C3H4 + C2H5 <=> C5H9-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3960, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (30.083, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3960,'cm^3/(mol*s)'), n=2.41, Ea=(30.083,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-HH;CsJ-CsHH """, ) @@ -43918,18 +29454,11 @@ index = 2201, label = "C3H4 + C3H7-2 <=> C6H11-17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3180, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (25.104, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3180,'cm^3/(mol*s)'), n=2.41, Ea=(25.104,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-HH;CsJ-CsCsH """, ) @@ -43938,18 +29467,11 @@ index = 2202, label = "C3H4 + C4H9 <=> C7H13-25", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2350, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (19.1627, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2350,'cm^3/(mol*s)'), n=2.41, Ea=(19.1627,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-HH;CsJ-CsCsCs """, ) @@ -43958,18 +29480,11 @@ index = 2203, label = "C3H4 + allyl <=> C6H9", degeneracy = 2.0, - kinetics = Arrhenius( - A = (82400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (58.7852, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(82400,'cm^3/(mol*s)'), n=2.41, Ea=(58.7852,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-HH;CsJ-CdHH """, ) @@ -43978,18 +29493,11 @@ index = 2204, label = "C3H4 + C4H7-2 <=> C7H11-40", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7170, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (57.781, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7170,'cm^3/(mol*s)'), n=2.41, Ea=(57.781,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-HH;CsJ-CdCsH """, ) @@ -43998,18 +29506,11 @@ index = 2205, label = "C3H4 + C5H9 <=> C8H13-50", degeneracy = 1.0, - kinetics = Arrhenius( - A = (927, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (53.7226, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(927,'cm^3/(mol*s)'), n=2.41, Ea=(53.7226,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-HH;CsJ-CdCsCs """, ) @@ -44018,18 +29519,11 @@ index = 2206, label = "C3H4 + C5H7-3 <=> C8H11-40", degeneracy = 1.0, - kinetics = Arrhenius( - A = (14500, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (77.8224, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(14500,'cm^3/(mol*s)'), n=2.41, Ea=(77.8224,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-HH;CsJ-CdCdH """, ) @@ -44038,18 +29532,11 @@ index = 2207, label = "C3H4 + C6H9-12 <=> C9H13-59", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4940, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (77.0693, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4940,'cm^3/(mol*s)'), n=2.41, Ea=(77.0693,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-HH;CsJ-CdCdCs """, ) @@ -44058,18 +29545,11 @@ index = 2208, label = "C3H4 + C7H7-3 <=> C10H11-48", degeneracy = 1.0, - kinetics = Arrhenius( - A = (19100, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (49.0783, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(19100,'cm^3/(mol*s)'), n=2.41, Ea=(49.0783,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-HH;CsJ-CbHH """, ) @@ -44078,18 +29558,11 @@ index = 2209, label = "C3H4 + C8H9 <=> C11H13-49", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4690, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (46.1495, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4690,'cm^3/(mol*s)'), n=2.41, Ea=(46.1495,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-HH;CsJ-CbCsH """, ) @@ -44098,18 +29571,11 @@ index = 2210, label = "C3H4 + C9H11-15 <=> C12H15-65", degeneracy = 1.0, - kinetics = Arrhenius( - A = (751, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.8902, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(751,'cm^3/(mol*s)'), n=2.41, Ea=(43.8902,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-HH;CsJ-CbCsCs """, ) @@ -44118,18 +29584,11 @@ index = 2211, label = "C3H3 + C3H4 <=> C6H7-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (17600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (48.0323, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(17600,'cm^3/(mol*s)'), n=2.41, Ea=(48.0323,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-HH;CsJ-CtHH """, ) @@ -44138,18 +29597,11 @@ index = 2212, label = "C4H5-12 + C3H4 <=> C7H9-47", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3980, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (46.1077, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3980,'cm^3/(mol*s)'), n=2.41, Ea=(46.1077,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-HH;CsJ-CtCsH """, ) @@ -44158,18 +29610,11 @@ index = 2213, label = "C5H7-5 + C3H4 <=> C8H11-41", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1010, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.2626, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1010,'cm^3/(mol*s)'), n=2.41, Ea=(43.2626,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-HH;CsJ-CtCsCs """, ) @@ -44178,18 +29623,11 @@ index = 2214, label = "C2H3 + C3H4 <=> C5H7-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (26700, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (16.4431, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(26700,'cm^3/(mol*s)'), n=2.41, Ea=(16.4431,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-HH;CdsJ-H """, ) @@ -44198,18 +29636,11 @@ index = 2215, label = "C3H4 + C3H5 <=> C6H9-26", degeneracy = 1.0, - kinetics = Arrhenius( - A = (14200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (15.5645, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(14200,'cm^3/(mol*s)'), n=2.41, Ea=(15.5645,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-HH;CdsJ-Cs """, ) @@ -44218,18 +29649,11 @@ index = 2216, label = "C3H4 + C6H5 <=> C9H9-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (42200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (6.4852, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(42200,'cm^3/(mol*s)'), n=2.41, Ea=(6.4852,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-HH;CbJ """, ) @@ -44238,18 +29662,11 @@ index = 2217, label = "CH3 + C4H6-4 <=> C5H9-10", degeneracy = 1.0, - kinetics = Arrhenius( - A = (44700, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (28.1583, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(44700,'cm^3/(mol*s)'), n=2.41, Ea=(28.1583,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-CsH;CsJ-HHH """, ) @@ -44258,18 +29675,11 @@ index = 2218, label = "C4H6-4 + C2H5 <=> C6H11-18", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4540, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (25.8153, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4540,'cm^3/(mol*s)'), n=2.41, Ea=(25.8153,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-CsH;CsJ-CsHH """, ) @@ -44278,18 +29688,11 @@ index = 2219, label = "C4H6-4 + C3H7-2 <=> C7H13-26", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3640, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (20.7945, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3640,'cm^3/(mol*s)'), n=2.41, Ea=(20.7945,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-CsH;CsJ-CsCsH """, ) @@ -44298,18 +29701,11 @@ index = 2220, label = "C4H6-4 + C4H9 <=> C8H15-25", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2700, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (14.895, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2700,'cm^3/(mol*s)'), n=2.41, Ea=(14.895,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-CsH;CsJ-CsCsCs """, ) @@ -44318,18 +29714,11 @@ index = 2221, label = "C4H6-4 + allyl <=> C7H11-41", degeneracy = 2.0, - kinetics = Arrhenius( - A = (94400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (54.4757, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(94400,'cm^3/(mol*s)'), n=2.41, Ea=(54.4757,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-CsH;CsJ-CdHH """, ) @@ -44338,18 +29727,11 @@ index = 2222, label = "C4H6-4 + C4H7-2 <=> C8H13-51", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8220, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (53.5134, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8220,'cm^3/(mol*s)'), n=2.41, Ea=(53.5134,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-CsH;CsJ-CdCsH """, ) @@ -44358,18 +29740,11 @@ index = 2223, label = "C4H6-4 + C5H9 <=> C9H15-52", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1060, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (49.413, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1060,'cm^3/(mol*s)'), n=2.41, Ea=(49.413,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-CsH;CsJ-CdCsCs """, ) @@ -44378,18 +29753,11 @@ index = 2224, label = "C4H6-4 + C5H7-3 <=> C9H13-60", degeneracy = 1.0, - kinetics = Arrhenius( - A = (16600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (73.5129, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(16600,'cm^3/(mol*s)'), n=2.41, Ea=(73.5129,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-CsH;CsJ-CdCdH """, ) @@ -44398,18 +29766,11 @@ index = 2225, label = "C4H6-4 + C6H9-12 <=> C10H15-62", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5660, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (72.7598, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5660,'cm^3/(mol*s)'), n=2.41, Ea=(72.7598,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-CsH;CsJ-CdCdCs """, ) @@ -44418,18 +29779,11 @@ index = 2226, label = "C4H6-4 + C7H7-3 <=> C11H13-50", degeneracy = 1.0, - kinetics = Arrhenius( - A = (21900, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (44.7688, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(21900,'cm^3/(mol*s)'), n=2.41, Ea=(44.7688,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-CsH;CsJ-CbHH """, ) @@ -44438,18 +29792,11 @@ index = 2227, label = "C4H6-4 + C8H9 <=> C12H15-66", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5380, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (41.84, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5380,'cm^3/(mol*s)'), n=2.41, Ea=(41.84,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-CsH;CsJ-CbCsH """, ) @@ -44458,18 +29805,11 @@ index = 2228, label = "C4H6-4 + C9H11-15 <=> C13H17-63", degeneracy = 1.0, - kinetics = Arrhenius( - A = (861, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (39.5806, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(861,'cm^3/(mol*s)'), n=2.41, Ea=(39.5806,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-CsH;CsJ-CbCsCs """, ) @@ -44478,18 +29818,11 @@ index = 2229, label = "C3H3 + C4H6-4 <=> C7H9-48", degeneracy = 1.0, - kinetics = Arrhenius( - A = (20200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.7228, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(20200,'cm^3/(mol*s)'), n=2.41, Ea=(43.7228,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-CsH;CsJ-CtHH """, ) @@ -44498,18 +29831,11 @@ index = 2230, label = "C4H5-12 + C4H6-4 <=> C8H11-42", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4560, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (41.7982, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4560,'cm^3/(mol*s)'), n=2.41, Ea=(41.7982,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-CsH;CsJ-CtCsH """, ) @@ -44518,18 +29844,11 @@ index = 2231, label = "C5H7-5 + C4H6-4 <=> C9H13-61", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1160, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (38.953, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1160,'cm^3/(mol*s)'), n=2.41, Ea=(38.953,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-CsH;CsJ-CtCsCs """, ) @@ -44538,18 +29857,11 @@ index = 2232, label = "C2H3 + C4H6-4 <=> C6H9-27", degeneracy = 1.0, - kinetics = Arrhenius( - A = (30600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (12.1754, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(30600,'cm^3/(mol*s)'), n=2.41, Ea=(12.1754,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-CsH;CdsJ-H """, ) @@ -44558,18 +29870,11 @@ index = 2233, label = "C4H6-4 + C3H5 <=> C7H11-42", degeneracy = 1.0, - kinetics = Arrhenius( - A = (16200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (11.255, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(16200,'cm^3/(mol*s)'), n=2.41, Ea=(11.255,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-CsH;CdsJ-Cs """, ) @@ -44578,18 +29883,11 @@ index = 2234, label = "C4H6-4 + C6H5 <=> C10H11-49", degeneracy = 1.0, - kinetics = Arrhenius( - A = (48300, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (2.17568, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(48300,'cm^3/(mol*s)'), n=2.41, Ea=(2.17568,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-CsH;CbJ """, ) @@ -44598,18 +29896,11 @@ index = 2235, label = "CH3 + C5H8-6 <=> C6H11-19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (57300, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (24.4346, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(57300,'cm^3/(mol*s)'), n=2.41, Ea=(24.4346,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-CsCs;CsJ-HHH """, ) @@ -44618,18 +29909,11 @@ index = 2236, label = "C5H8-6 + C2H5 <=> C7H13-27", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5820, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (22.0497, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5820,'cm^3/(mol*s)'), n=2.41, Ea=(22.0497,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-CsCs;CsJ-CsHH """, ) @@ -44638,18 +29922,11 @@ index = 2237, label = "C5H8-6 + C3H7-2 <=> C8H15-26", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4670, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (17.0707, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4670,'cm^3/(mol*s)'), n=2.41, Ea=(17.0707,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-CsCs;CsJ-CsCsH """, ) @@ -44658,18 +29935,11 @@ index = 2238, label = "C5H8-6 + C4H9 <=> C9H17-19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3460, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (11.1294, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3460,'cm^3/(mol*s)'), n=2.41, Ea=(11.1294,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-CsCs;CsJ-CsCsCs """, ) @@ -44678,18 +29948,11 @@ index = 2239, label = "C5H8-6 + allyl <=> C8H13-52", degeneracy = 2.0, - kinetics = Arrhenius( - A = (121000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (50.7519, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(121000,'cm^3/(mol*s)'), n=2.41, Ea=(50.7519,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-CsCs;CsJ-CdHH """, ) @@ -44698,18 +29961,11 @@ index = 2240, label = "C5H8-6 + C4H7-2 <=> C9H15-53", degeneracy = 1.0, - kinetics = Arrhenius( - A = (10500, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (49.7478, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(10500,'cm^3/(mol*s)'), n=2.41, Ea=(49.7478,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-CsCs;CsJ-CdCsH """, ) @@ -44718,18 +29974,11 @@ index = 2241, label = "C5H8-6 + C5H9 <=> C10H17-39", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1360, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (45.6893, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1360,'cm^3/(mol*s)'), n=2.41, Ea=(45.6893,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-CsCs;CsJ-CdCsCs """, ) @@ -44738,18 +29987,11 @@ index = 2242, label = "C5H8-6 + C5H7-3 <=> C10H15-63", degeneracy = 1.0, - kinetics = Arrhenius( - A = (21200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (69.7891, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(21200,'cm^3/(mol*s)'), n=2.41, Ea=(69.7891,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-CsCs;CsJ-CdCdH """, ) @@ -44758,18 +30000,11 @@ index = 2243, label = "C5H8-6 + C6H9-12 <=> C11H17-47", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7250, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (68.9942, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7250,'cm^3/(mol*s)'), n=2.41, Ea=(68.9942,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-CsCs;CsJ-CdCdCs """, ) @@ -44778,18 +30013,11 @@ index = 2244, label = "C5H8-6 + C7H7-3 <=> C12H15-67", degeneracy = 1.0, - kinetics = Arrhenius( - A = (28000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (41.045, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(28000,'cm^3/(mol*s)'), n=2.41, Ea=(41.045,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-CsCs;CsJ-CbHH """, ) @@ -44798,18 +30026,11 @@ index = 2245, label = "C5H8-6 + C8H9 <=> C13H17-64", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6890, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (38.1162, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6890,'cm^3/(mol*s)'), n=2.41, Ea=(38.1162,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-CsCs;CsJ-CbCsH """, ) @@ -44818,18 +30039,11 @@ index = 2246, label = "C5H8-6 + C9H11-15 <=> C14H19-44", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1100, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (35.8569, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1100,'cm^3/(mol*s)'), n=2.41, Ea=(35.8569,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-CsCs;CsJ-CbCsCs """, ) @@ -44838,18 +30052,11 @@ index = 2247, label = "C3H3 + C5H8-6 <=> C8H11-43", degeneracy = 1.0, - kinetics = Arrhenius( - A = (25900, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (39.999, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(25900,'cm^3/(mol*s)'), n=2.41, Ea=(39.999,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-CsCs;CsJ-CtHH """, ) @@ -44858,18 +30065,11 @@ index = 2248, label = "C4H5-12 + C5H8-6 <=> C9H13-62", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5840, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (38.0326, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5840,'cm^3/(mol*s)'), n=2.41, Ea=(38.0326,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-CsCs;CsJ-CtCsH """, ) @@ -44878,18 +30078,11 @@ index = 2249, label = "C5H7-5 + C5H8-6 <=> C10H15-64", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1490, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (35.1874, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1490,'cm^3/(mol*s)'), n=2.41, Ea=(35.1874,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-CsCs;CsJ-CtCsCs """, ) @@ -44898,18 +30091,11 @@ index = 2250, label = "C2H3 + C5H8-6 <=> C7H11-43", degeneracy = 1.0, - kinetics = Arrhenius( - A = (39200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (8.40984, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(39200,'cm^3/(mol*s)'), n=2.41, Ea=(8.40984,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-CsCs;CdsJ-H """, ) @@ -44918,18 +30104,11 @@ index = 2251, label = "C5H8-6 + C3H5 <=> C8H13-53", degeneracy = 1.0, - kinetics = Arrhenius( - A = (20800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (7.5312, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(20800,'cm^3/(mol*s)'), n=2.41, Ea=(7.5312,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-CsCs;CdsJ-Cs """, ) @@ -44938,18 +30117,11 @@ index = 2252, label = "C5H8-6 + C6H5 <=> C11H13-51", degeneracy = 1.0, - kinetics = Arrhenius( - A = (61900, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-1.54808, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(61900,'cm^3/(mol*s)'), n=2.41, Ea=(-1.54808,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-CsCs;CbJ """, ) @@ -44958,18 +30130,11 @@ index = 2253, label = "C2H2 + CH3 <=> C3H5-2", degeneracy = 2.0, - kinetics = Arrhenius( - A = (133800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (28.3257, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(133800,'cm^3/(mol*s)'), n=2.41, Ea=(28.3257,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-H;CsJ-HHH """, ) @@ -44978,18 +30143,11 @@ index = 2254, label = "C2H2 + C2H5 <=> C4H7-6", degeneracy = 2.0, - kinetics = Arrhenius( - A = (13600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (25.9408, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(13600,'cm^3/(mol*s)'), n=2.41, Ea=(25.9408,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-H;CsJ-CsHH """, ) @@ -44998,18 +30156,11 @@ index = 2255, label = "C2H2 + C3H7-2 <=> C5H9-11", degeneracy = 2.0, - kinetics = Arrhenius( - A = (10900, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (20.9618, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(10900,'cm^3/(mol*s)'), n=2.41, Ea=(20.9618,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-H;CsJ-CsCsH """, ) @@ -45018,18 +30169,11 @@ index = 2256, label = "C2H2 + C4H9 <=> C6H11", degeneracy = 2.0, - kinetics = Arrhenius( - A = (8080, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (15.0206, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8080,'cm^3/(mol*s)'), n=2.41, Ea=(15.0206,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-H;CsJ-CsCsCs """, ) @@ -45038,18 +30182,11 @@ index = 2257, label = "C2H2 + allyl <=> C5H7", degeneracy = 4.0, - kinetics = Arrhenius( - A = (282400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (54.643, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(282400,'cm^3/(mol*s)'), n=2.41, Ea=(54.643,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-H;CsJ-CdHH """, ) @@ -45058,18 +30195,11 @@ index = 2258, label = "C2H2 + C4H7-2 <=> C6H9-28", degeneracy = 2.0, - kinetics = Arrhenius( - A = (24600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (53.6389, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(24600,'cm^3/(mol*s)'), n=2.41, Ea=(53.6389,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-H;CsJ-CdCsH """, ) @@ -45078,18 +30208,11 @@ index = 2259, label = "C2H2 + C5H9 <=> C7H11-44", degeneracy = 2.0, - kinetics = Arrhenius( - A = (3180, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (49.5804, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3180,'cm^3/(mol*s)'), n=2.41, Ea=(49.5804,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-H;CsJ-CdCsCs """, ) @@ -45098,18 +30221,11 @@ index = 2260, label = "C2H2 + C5H7-3 <=> C7H9-49", degeneracy = 2.0, - kinetics = Arrhenius( - A = (49600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (73.6802, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(49600,'cm^3/(mol*s)'), n=2.41, Ea=(73.6802,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-H;CsJ-CdCdH """, ) @@ -45118,18 +30234,11 @@ index = 2261, label = "C2H2 + C6H9-12 <=> C8H11-44", degeneracy = 2.0, - kinetics = Arrhenius( - A = (16940, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (72.9271, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(16940,'cm^3/(mol*s)'), n=2.41, Ea=(72.9271,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-H;CsJ-CdCdCs """, ) @@ -45138,18 +30247,11 @@ index = 2262, label = "C2H2 + C7H7-3 <=> C9H9-5", degeneracy = 2.0, - kinetics = Arrhenius( - A = (65600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (44.9362, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(65600,'cm^3/(mol*s)'), n=2.41, Ea=(44.9362,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-H;CsJ-CbHH """, ) @@ -45158,18 +30260,11 @@ index = 2263, label = "C2H2 + C8H9 <=> C10H11-50", degeneracy = 2.0, - kinetics = Arrhenius( - A = (16120, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (42.0074, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(16120,'cm^3/(mol*s)'), n=2.41, Ea=(42.0074,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-H;CsJ-CbCsH """, ) @@ -45178,18 +30273,11 @@ index = 2264, label = "C2H2 + C9H11-15 <=> C11H13-52", degeneracy = 2.0, - kinetics = Arrhenius( - A = (2580, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (39.748, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2580,'cm^3/(mol*s)'), n=2.41, Ea=(39.748,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-H;CsJ-CbCsCs """, ) @@ -45198,18 +30286,11 @@ index = 2265, label = "C3H3 + C2H2 <=> C5H5-2", degeneracy = 2.0, - kinetics = Arrhenius( - A = (60600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.8902, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(60600,'cm^3/(mol*s)'), n=2.41, Ea=(43.8902,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-H;CsJ-CtHH """, ) @@ -45218,18 +30299,11 @@ index = 2266, label = "C4H5-12 + C2H2 <=> C6H7-13", degeneracy = 2.0, - kinetics = Arrhenius( - A = (13660, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (41.9655, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(13660,'cm^3/(mol*s)'), n=2.41, Ea=(41.9655,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-H;CsJ-CtCsH """, ) @@ -45238,18 +30312,11 @@ index = 2267, label = "C5H7-5 + C2H2 <=> C7H9-50", degeneracy = 2.0, - kinetics = Arrhenius( - A = (3480, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (39.0786, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3480,'cm^3/(mol*s)'), n=2.41, Ea=(39.0786,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-H;CsJ-CtCsCs """, ) @@ -45258,18 +30325,11 @@ index = 2268, label = "C2H2 + C2H3 <=> C4H5-8", degeneracy = 2.0, - kinetics = Arrhenius( - A = (91600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (12.301, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(91600,'cm^3/(mol*s)'), n=2.41, Ea=(12.301,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-H;CdsJ-H """, ) @@ -45278,18 +30338,11 @@ index = 2269, label = "C2H2 + C3H5 <=> C5H7-10", degeneracy = 2.0, - kinetics = Arrhenius( - A = (48600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (11.4223, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(48600,'cm^3/(mol*s)'), n=2.41, Ea=(11.4223,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-H;CdsJ-Cs """, ) @@ -45298,18 +30351,11 @@ index = 2270, label = "C2H2 + C6H5 <=> C8H7-4", degeneracy = 2.0, - kinetics = Arrhenius( - A = (144600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (2.34304, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(144600,'cm^3/(mol*s)'), n=2.41, Ea=(2.34304,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-H;CbJ """, ) @@ -45318,18 +30364,11 @@ index = 2271, label = "C3H4-2 + CH3 <=> C4H7-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (178000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (30.1248, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(178000,'cm^3/(mol*s)'), n=2.41, Ea=(30.1248,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Cs;CsJ-HHH """, ) @@ -45338,18 +30377,11 @@ index = 2272, label = "C3H4-2 + C2H5 <=> C5H9-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (18100, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (27.7399, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(18100,'cm^3/(mol*s)'), n=2.41, Ea=(27.7399,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Cs;CsJ-CsHH """, ) @@ -45358,18 +30390,11 @@ index = 2273, label = "C3H4-2 + C3H7-2 <=> C6H11-20", degeneracy = 1.0, - kinetics = Arrhenius( - A = (14500, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (22.761, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(14500,'cm^3/(mol*s)'), n=2.41, Ea=(22.761,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Cs;CsJ-CsCsH """, ) @@ -45378,18 +30403,11 @@ index = 2274, label = "C3H4-2 + C4H9 <=> C7H13-28", degeneracy = 1.0, - kinetics = Arrhenius( - A = (10700, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (16.8197, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(10700,'cm^3/(mol*s)'), n=2.41, Ea=(16.8197,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Cs;CsJ-CsCsCs """, ) @@ -45398,18 +30416,11 @@ index = 2275, label = "C3H4-2 + allyl <=> C6H9-3", degeneracy = 2.0, - kinetics = Arrhenius( - A = (376000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (56.4422, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(376000,'cm^3/(mol*s)'), n=2.41, Ea=(56.4422,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Cs;CsJ-CdHH """, ) @@ -45418,18 +30429,11 @@ index = 2276, label = "C3H4-2 + C4H7-2 <=> C7H11-45", degeneracy = 1.0, - kinetics = Arrhenius( - A = (32700, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (55.438, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(32700,'cm^3/(mol*s)'), n=2.41, Ea=(55.438,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Cs;CsJ-CdCsH """, ) @@ -45438,18 +30442,11 @@ index = 2277, label = "C3H4-2 + C5H9 <=> C8H13-54", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4220, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (51.3795, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4220,'cm^3/(mol*s)'), n=2.41, Ea=(51.3795,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Cs;CsJ-CdCsCs """, ) @@ -45458,18 +30455,11 @@ index = 2278, label = "C3H4-2 + C5H7-3 <=> C8H11-45", degeneracy = 1.0, - kinetics = Arrhenius( - A = (65900, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (75.4794, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(65900,'cm^3/(mol*s)'), n=2.41, Ea=(75.4794,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Cs;CsJ-CdCdH """, ) @@ -45478,18 +30468,11 @@ index = 2279, label = "C3H4-2 + C6H9-12 <=> C9H13-63", degeneracy = 1.0, - kinetics = Arrhenius( - A = (22500, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (74.7262, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(22500,'cm^3/(mol*s)'), n=2.41, Ea=(74.7262,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Cs;CsJ-CdCdCs """, ) @@ -45498,18 +30481,11 @@ index = 2280, label = "C3H4-2 + C7H7-3 <=> C10H11-51", degeneracy = 1.0, - kinetics = Arrhenius( - A = (87000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (46.7353, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(87000,'cm^3/(mol*s)'), n=2.41, Ea=(46.7353,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Cs;CsJ-CbHH """, ) @@ -45518,18 +30494,11 @@ index = 2281, label = "C3H4-2 + C8H9 <=> C11H13-53", degeneracy = 1.0, - kinetics = Arrhenius( - A = (21400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.8065, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(21400,'cm^3/(mol*s)'), n=2.41, Ea=(43.8065,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Cs;CsJ-CbCsH """, ) @@ -45538,18 +30507,11 @@ index = 2282, label = "C3H4-2 + C9H11-15 <=> C12H15-68", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3420, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (41.5471, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3420,'cm^3/(mol*s)'), n=2.41, Ea=(41.5471,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Cs;CsJ-CbCsCs """, ) @@ -45558,18 +30520,11 @@ index = 2283, label = "C3H3 + C3H4-2 <=> C6H7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (80400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (45.6893, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(80400,'cm^3/(mol*s)'), n=2.41, Ea=(45.6893,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Cs;CsJ-CtHH """, ) @@ -45578,18 +30533,11 @@ index = 2284, label = "C4H5-12 + C3H4-2 <=> C7H9-51", degeneracy = 1.0, - kinetics = Arrhenius( - A = (18100, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.7646, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(18100,'cm^3/(mol*s)'), n=2.41, Ea=(43.7646,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Cs;CsJ-CtCsH """, ) @@ -45598,18 +30546,11 @@ index = 2285, label = "C5H7-5 + C3H4-2 <=> C8H11-46", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4620, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (40.9195, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4620,'cm^3/(mol*s)'), n=2.41, Ea=(40.9195,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Cs;CsJ-CtCsCs """, ) @@ -45618,18 +30559,11 @@ index = 2286, label = "C3H4-2 + C2H3 <=> C5H7-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (122000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (14.1001, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(122000,'cm^3/(mol*s)'), n=2.41, Ea=(14.1001,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Cs;CdsJ-H """, ) @@ -45638,18 +30572,11 @@ index = 2287, label = "C3H4-2 + C3H5 <=> C6H9-29", degeneracy = 1.0, - kinetics = Arrhenius( - A = (64500, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (13.2214, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(64500,'cm^3/(mol*s)'), n=2.41, Ea=(13.2214,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Cs;CdsJ-Cs """, ) @@ -45658,18 +30585,11 @@ index = 2288, label = "C3H4-2 + C6H5 <=> C9H9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (192000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (4.14216, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(192000,'cm^3/(mol*s)'), n=2.41, Ea=(4.14216,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Cs;CbJ """, ) @@ -45678,18 +30598,11 @@ index = 2289, label = "C4H4-3 + CH3 <=> C5H7-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (21700, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (16.5686, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(21700,'cm^3/(mol*s)'), n=2.41, Ea=(16.5686,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Cd;CsJ-HHH """, ) @@ -45698,18 +30611,11 @@ index = 2290, label = "C4H4-3 + C2H5 <=> C6H9-30", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2210, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (14.1838, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2210,'cm^3/(mol*s)'), n=2.41, Ea=(14.1838,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Cd;CsJ-CsHH """, ) @@ -45718,18 +30624,11 @@ index = 2291, label = "C4H4-3 + C3H7-2 <=> C7H11-46", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1770, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (9.16296, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1770,'cm^3/(mol*s)'), n=2.41, Ea=(9.16296,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Cd;CsJ-CsCsH """, ) @@ -45738,18 +30637,11 @@ index = 2292, label = "C4H4-3 + C4H9 <=> C8H13-55", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1310, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (3.26352, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1310,'cm^3/(mol*s)'), n=2.41, Ea=(3.26352,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Cd;CsJ-CsCsCs """, ) @@ -45758,18 +30650,11 @@ index = 2293, label = "C4H4-3 + allyl <=> C7H9-52", degeneracy = 2.0, - kinetics = Arrhenius( - A = (45800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (42.8442, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(45800,'cm^3/(mol*s)'), n=2.41, Ea=(42.8442,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Cd;CsJ-CdHH """, ) @@ -45778,18 +30663,11 @@ index = 2294, label = "C4H4-3 + C4H7-2 <=> C8H11-47", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (41.8818, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4000,'cm^3/(mol*s)'), n=2.41, Ea=(41.8818,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Cd;CsJ-CdCsH """, ) @@ -45798,18 +30676,11 @@ index = 2295, label = "C4H4-3 + C5H9 <=> C9H13-64", degeneracy = 1.0, - kinetics = Arrhenius( - A = (517, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (37.7815, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(517,'cm^3/(mol*s)'), n=2.41, Ea=(37.7815,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Cd;CsJ-CdCsCs """, ) @@ -45818,18 +30689,11 @@ index = 2296, label = "C4H4-3 + C5H7-3 <=> C9H11-51", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8060, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (61.8814, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8060,'cm^3/(mol*s)'), n=2.41, Ea=(61.8814,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Cd;CsJ-CdCdH """, ) @@ -45838,18 +30702,11 @@ index = 2297, label = "C4H4-3 + C6H9-12 <=> C10H13-65", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2750, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (61.1282, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2750,'cm^3/(mol*s)'), n=2.41, Ea=(61.1282,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Cd;CsJ-CdCdCs """, ) @@ -45858,18 +30715,11 @@ index = 2298, label = "C4H4-3 + C7H7-3 <=> C11H11-20", degeneracy = 1.0, - kinetics = Arrhenius( - A = (10600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (33.1373, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(10600,'cm^3/(mol*s)'), n=2.41, Ea=(33.1373,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Cd;CsJ-CbHH """, ) @@ -45878,18 +30728,11 @@ index = 2299, label = "C4H4-3 + C8H9 <=> C12H13-43", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2620, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (30.2085, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2620,'cm^3/(mol*s)'), n=2.41, Ea=(30.2085,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Cd;CsJ-CbCsH """, ) @@ -45898,18 +30741,11 @@ index = 2300, label = "C4H4-3 + C9H11-15 <=> C13H15-66", degeneracy = 1.0, - kinetics = Arrhenius( - A = (419, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (27.9491, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(419,'cm^3/(mol*s)'), n=2.41, Ea=(27.9491,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Cd;CsJ-CbCsCs """, ) @@ -45918,18 +30754,11 @@ index = 2301, label = "C3H3 + C4H4-3 <=> C7H7-10", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9830, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (32.0913, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9830,'cm^3/(mol*s)'), n=2.41, Ea=(32.0913,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Cd;CsJ-CtHH """, ) @@ -45938,18 +30767,11 @@ index = 2302, label = "C4H5-12 + C4H4-3 <=> C8H9-18", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2220, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (30.1666, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2220,'cm^3/(mol*s)'), n=2.41, Ea=(30.1666,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Cd;CsJ-CtCsH """, ) @@ -45958,18 +30780,11 @@ index = 2303, label = "C5H7-5 + C4H4-3 <=> C9H11-52", degeneracy = 1.0, - kinetics = Arrhenius( - A = (566, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (27.3215, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(566,'cm^3/(mol*s)'), n=2.41, Ea=(27.3215,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Cd;CsJ-CtCsCs """, ) @@ -45978,18 +30793,11 @@ index = 2304, label = "C4H4-3 + C2H3 <=> C6H7-14", degeneracy = 1.0, - kinetics = Arrhenius( - A = (14900, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (0.54392, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(14900,'cm^3/(mol*s)'), n=2.41, Ea=(0.54392,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Cd;CdsJ-H """, ) @@ -45998,18 +30806,11 @@ index = 2305, label = "C4H4-3 + C3H5 <=> C7H9-53", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7890, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-0.37656, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7890,'cm^3/(mol*s)'), n=2.41, Ea=(-0.37656,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Cd;CdsJ-Cs """, ) @@ -46018,18 +30819,11 @@ index = 2306, label = "C4H4-3 + C6H5 <=> C10H9-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (23500, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-9.45584, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(23500,'cm^3/(mol*s)'), n=2.41, Ea=(-9.45584,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Cd;CbJ """, ) @@ -46038,18 +30832,11 @@ index = 2307, label = "C4H2 + CH3 <=> C5H5-3", degeneracy = 2.0, - kinetics = Arrhenius( - A = (578000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (14.1838, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(578000,'cm^3/(mol*s)'), n=2.41, Ea=(14.1838,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Ct;CsJ-HHH """, ) @@ -46058,18 +30845,11 @@ index = 2308, label = "C4H2 + C2H5 <=> C6H7-15", degeneracy = 2.0, - kinetics = Arrhenius( - A = (58600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (11.7989, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(58600,'cm^3/(mol*s)'), n=2.41, Ea=(11.7989,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Ct;CsJ-CsHH """, ) @@ -46078,18 +30858,11 @@ index = 2309, label = "C4H2 + C3H7-2 <=> C7H9-54", degeneracy = 2.0, - kinetics = Arrhenius( - A = (47000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (6.81992, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(47000,'cm^3/(mol*s)'), n=2.41, Ea=(6.81992,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Ct;CsJ-CsCsH """, ) @@ -46098,18 +30871,11 @@ index = 2310, label = "C4H2 + C4H9 <=> C8H11-48", degeneracy = 2.0, - kinetics = Arrhenius( - A = (34800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (0.87864, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(34800,'cm^3/(mol*s)'), n=2.41, Ea=(0.87864,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Ct;CsJ-CsCsCs """, ) @@ -46118,18 +30884,11 @@ index = 2311, label = "C4H2 + allyl <=> C7H7-11", degeneracy = 4.0, - kinetics = Arrhenius( - A = (1.22e+06, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (40.5011, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.22e+06,'cm^3/(mol*s)'), n=2.41, Ea=(40.5011,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Ct;CsJ-CdHH """, ) @@ -46138,18 +30897,11 @@ index = 2312, label = "C4H2 + C4H7-2 <=> C8H9-19", degeneracy = 2.0, - kinetics = Arrhenius( - A = (106200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (39.497, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(106200,'cm^3/(mol*s)'), n=2.41, Ea=(39.497,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Ct;CsJ-CdCsH """, ) @@ -46158,18 +30910,11 @@ index = 2313, label = "C4H2 + C5H9 <=> C9H11-53", degeneracy = 2.0, - kinetics = Arrhenius( - A = (13720, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (35.4385, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(13720,'cm^3/(mol*s)'), n=2.41, Ea=(35.4385,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Ct;CsJ-CdCsCs """, ) @@ -46178,18 +30923,11 @@ index = 2314, label = "C4H2 + C5H7-3 <=> C9H9-29", degeneracy = 2.0, - kinetics = Arrhenius( - A = (214000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (59.4965, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(214000,'cm^3/(mol*s)'), n=2.41, Ea=(59.4965,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Ct;CsJ-CdCdH """, ) @@ -46198,18 +30936,11 @@ index = 2315, label = "C4H2 + C6H9-12 <=> C10H11-52", degeneracy = 2.0, - kinetics = Arrhenius( - A = (73000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (58.7434, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(73000,'cm^3/(mol*s)'), n=2.41, Ea=(58.7434,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Ct;CsJ-CdCdCs """, ) @@ -46218,18 +30949,11 @@ index = 2316, label = "C4H2 + C7H7-3 <=> C11H9-2", degeneracy = 2.0, - kinetics = Arrhenius( - A = (282000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (30.7524, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(282000,'cm^3/(mol*s)'), n=2.41, Ea=(30.7524,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Ct;CsJ-CbHH """, ) @@ -46238,18 +30962,11 @@ index = 2317, label = "C4H2 + C8H9 <=> C12H11-8", degeneracy = 2.0, - kinetics = Arrhenius( - A = (69400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (27.8654, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(69400,'cm^3/(mol*s)'), n=2.41, Ea=(27.8654,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Ct;CsJ-CbCsH """, ) @@ -46258,18 +30975,11 @@ index = 2318, label = "C4H2 + C9H11-15 <=> C13H13-22", degeneracy = 2.0, - kinetics = Arrhenius( - A = (11120, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (25.6061, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(11120,'cm^3/(mol*s)'), n=2.41, Ea=(25.6061,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Ct;CsJ-CbCsCs """, ) @@ -46278,18 +30988,11 @@ index = 2319, label = "C4H2 + C3H3 <=> C7H5", degeneracy = 2.0, - kinetics = Arrhenius( - A = (262000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (29.7482, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(262000,'cm^3/(mol*s)'), n=2.41, Ea=(29.7482,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Ct;CsJ-CtHH """, ) @@ -46298,18 +31001,11 @@ index = 2320, label = "C4H2 + C4H5-12 <=> C8H7-7", degeneracy = 2.0, - kinetics = Arrhenius( - A = (58800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (27.7818, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(58800,'cm^3/(mol*s)'), n=2.41, Ea=(27.7818,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Ct;CsJ-CtCsH """, ) @@ -46318,18 +31014,11 @@ index = 2321, label = "C4H2 + C5H7-5 <=> C9H9-30", degeneracy = 2.0, - kinetics = Arrhenius( - A = (15020, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (24.9366, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(15020,'cm^3/(mol*s)'), n=2.41, Ea=(24.9366,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Ct;CsJ-CtCsCs """, ) @@ -46338,18 +31027,11 @@ index = 2322, label = "C4H2 + C2H3 <=> C6H5-2", degeneracy = 2.0, - kinetics = Arrhenius( - A = (394000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-1.84096, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(394000,'cm^3/(mol*s)'), n=2.41, Ea=(-1.84096,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Ct;CdsJ-H """, ) @@ -46358,18 +31040,11 @@ index = 2323, label = "C4H2 + C3H5 <=> C7H7-12", degeneracy = 2.0, - kinetics = Arrhenius( - A = (210000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-2.7196, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(210000,'cm^3/(mol*s)'), n=2.41, Ea=(-2.7196,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Ct;CdsJ-Cs """, ) @@ -46378,18 +31053,11 @@ index = 2324, label = "C4H2 + C6H5 <=> C10H7-8", degeneracy = 2.0, - kinetics = Arrhenius( - A = (624000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-11.7989, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(624000,'cm^3/(mol*s)'), n=2.41, Ea=(-11.7989,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Ct;CbJ """, ) @@ -46398,18 +31066,11 @@ index = 2325, label = "C3H4-4 + CH3 <=> C4H7-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (138000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (36.8192, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(138000,'cm^3/(mol*s)'), n=2.41, Ea=(36.8192,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-H;CsJ-HHH """, ) @@ -46418,18 +31079,11 @@ index = 2326, label = "C3H4-4 + C2H5 <=> C5H9-13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (14000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (34.4343, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(14000,'cm^3/(mol*s)'), n=2.41, Ea=(34.4343,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-H;CsJ-CsHH """, ) @@ -46438,18 +31092,11 @@ index = 2327, label = "C3H4-4 + C3H7-2 <=> C6H11-21", degeneracy = 1.0, - kinetics = Arrhenius( - A = (11300, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (29.4554, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(11300,'cm^3/(mol*s)'), n=2.41, Ea=(29.4554,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-H;CsJ-CsCsH """, ) @@ -46458,18 +31105,11 @@ index = 2328, label = "C3H4-4 + C4H9 <=> C7H13-29", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8350, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (23.5141, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8350,'cm^3/(mol*s)'), n=2.41, Ea=(23.5141,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-H;CsJ-CsCsCs """, ) @@ -46478,18 +31118,11 @@ index = 2329, label = "C3H4-4 + allyl <=> C6H9-31", degeneracy = 2.0, - kinetics = Arrhenius( - A = (292000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (63.1366, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(292000,'cm^3/(mol*s)'), n=2.41, Ea=(63.1366,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-H;CsJ-CdHH """, ) @@ -46498,18 +31131,11 @@ index = 2330, label = "C3H4-4 + C4H7-2 <=> C7H11-47", degeneracy = 1.0, - kinetics = Arrhenius( - A = (25400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (62.1324, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(25400,'cm^3/(mol*s)'), n=2.41, Ea=(62.1324,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-H;CsJ-CdCsH """, ) @@ -46518,18 +31144,11 @@ index = 2331, label = "C3H4-4 + C5H9 <=> C8H13-56", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3290, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (58.0739, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3290,'cm^3/(mol*s)'), n=2.41, Ea=(58.0739,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-H;CsJ-CdCsCs """, ) @@ -46538,18 +31157,11 @@ index = 2332, label = "C3H4-4 + C5H7-3 <=> C8H11-49", degeneracy = 1.0, - kinetics = Arrhenius( - A = (51300, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (82.1319, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(51300,'cm^3/(mol*s)'), n=2.41, Ea=(82.1319,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-H;CsJ-CdCdH """, ) @@ -46558,18 +31170,11 @@ index = 2333, label = "C3H4-4 + C6H9-12 <=> C9H13-65", degeneracy = 1.0, - kinetics = Arrhenius( - A = (17500, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (81.3788, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(17500,'cm^3/(mol*s)'), n=2.41, Ea=(81.3788,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-H;CsJ-CdCdCs """, ) @@ -46578,18 +31183,11 @@ index = 2334, label = "C3H4-4 + C7H7-3 <=> C10H11-53", degeneracy = 1.0, - kinetics = Arrhenius( - A = (67700, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (53.3878, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(67700,'cm^3/(mol*s)'), n=2.41, Ea=(53.3878,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-H;CsJ-CbHH """, ) @@ -46598,18 +31196,11 @@ index = 2335, label = "C3H4-4 + C8H9 <=> C11H13-54", degeneracy = 1.0, - kinetics = Arrhenius( - A = (16600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (50.5009, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(16600,'cm^3/(mol*s)'), n=2.41, Ea=(50.5009,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-H;CsJ-CbCsH """, ) @@ -46618,18 +31209,11 @@ index = 2336, label = "C3H4-4 + C9H11-15 <=> C12H15-69", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2660, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (48.2415, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2660,'cm^3/(mol*s)'), n=2.41, Ea=(48.2415,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-H;CsJ-CbCsCs """, ) @@ -46638,18 +31222,11 @@ index = 2337, label = "C3H3 + C3H4-4 <=> C6H7-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (62600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (52.3837, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(62600,'cm^3/(mol*s)'), n=2.41, Ea=(52.3837,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-H;CsJ-CtHH """, ) @@ -46658,18 +31235,11 @@ index = 2338, label = "C4H5-12 + C3H4-4 <=> C7H9-55", degeneracy = 1.0, - kinetics = Arrhenius( - A = (14100, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (50.4172, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(14100,'cm^3/(mol*s)'), n=2.41, Ea=(50.4172,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-H;CsJ-CtCsH """, ) @@ -46678,18 +31248,11 @@ index = 2339, label = "C5H7-5 + C3H4-4 <=> C8H11-50", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (47.5721, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3600,'cm^3/(mol*s)'), n=2.41, Ea=(47.5721,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-H;CsJ-CtCsCs """, ) @@ -46698,18 +31261,11 @@ index = 2340, label = "C3H4-4 + C2H3 <=> C5H7-13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (94600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (20.7945, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(94600,'cm^3/(mol*s)'), n=2.41, Ea=(20.7945,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-H;CdsJ-H """, ) @@ -46718,18 +31274,11 @@ index = 2341, label = "C3H4-4 + C3H5 <=> C6H9-32", degeneracy = 1.0, - kinetics = Arrhenius( - A = (50200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (19.9158, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(50200,'cm^3/(mol*s)'), n=2.41, Ea=(19.9158,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-H;CdsJ-Cs """, ) @@ -46738,18 +31287,11 @@ index = 2342, label = "C3H4-4 + C6H5 <=> C9H9-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (150000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (10.7947, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(150000,'cm^3/(mol*s)'), n=2.41, Ea=(10.7947,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-H;CbJ """, ) @@ -46758,18 +31300,11 @@ index = 2343, label = "CH3 + C4H6-5 <=> C5H9-14", degeneracy = 2.0, - kinetics = Arrhenius( - A = (734000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (38.6183, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(734000,'cm^3/(mol*s)'), n=2.41, Ea=(38.6183,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Cs;CsJ-HHH """, ) @@ -46778,18 +31313,11 @@ index = 2344, label = "C2H5 + C4H6-5 <=> C6H11-22", degeneracy = 2.0, - kinetics = Arrhenius( - A = (74600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (36.2334, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(74600,'cm^3/(mol*s)'), n=2.41, Ea=(36.2334,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Cs;CsJ-CsHH """, ) @@ -46798,18 +31326,11 @@ index = 2345, label = "C3H7-2 + C4H6-5 <=> C7H13-30", degeneracy = 2.0, - kinetics = Arrhenius( - A = (59800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (31.2545, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(59800,'cm^3/(mol*s)'), n=2.41, Ea=(31.2545,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Cs;CsJ-CsCsH """, ) @@ -46818,18 +31339,11 @@ index = 2346, label = "C4H6-5 + C4H9 <=> C8H15-27", degeneracy = 2.0, - kinetics = Arrhenius( - A = (44400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (25.3132, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(44400,'cm^3/(mol*s)'), n=2.41, Ea=(25.3132,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Cs;CsJ-CsCsCs """, ) @@ -46838,18 +31352,11 @@ index = 2347, label = "allyl + C4H6-5 <=> C7H11-48", degeneracy = 4.0, - kinetics = Arrhenius( - A = (1.552e+06, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (64.9357, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.552e+06,'cm^3/(mol*s)'), n=2.41, Ea=(64.9357,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Cs;CsJ-CdHH """, ) @@ -46858,18 +31365,11 @@ index = 2348, label = "C4H7-2 + C4H6-5 <=> C8H13-57", degeneracy = 2.0, - kinetics = Arrhenius( - A = (135000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (63.9315, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(135000,'cm^3/(mol*s)'), n=2.41, Ea=(63.9315,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Cs;CsJ-CdCsH """, ) @@ -46878,18 +31378,11 @@ index = 2349, label = "C5H9 + C4H6-5 <=> C9H15-54", degeneracy = 2.0, - kinetics = Arrhenius( - A = (17460, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (59.873, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(17460,'cm^3/(mol*s)'), n=2.41, Ea=(59.873,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Cs;CsJ-CdCsCs """, ) @@ -46898,18 +31391,11 @@ index = 2350, label = "C5H7-3 + C4H6-5 <=> C9H13-66", degeneracy = 2.0, - kinetics = Arrhenius( - A = (272000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (83.931, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(272000,'cm^3/(mol*s)'), n=2.41, Ea=(83.931,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Cs;CsJ-CdCdH """, ) @@ -46918,18 +31404,11 @@ index = 2351, label = "C6H9-12 + C4H6-5 <=> C10H15-65", degeneracy = 2.0, - kinetics = Arrhenius( - A = (93000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (83.1779, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(93000,'cm^3/(mol*s)'), n=2.41, Ea=(83.1779,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Cs;CsJ-CdCdCs """, ) @@ -46938,18 +31417,11 @@ index = 2352, label = "C7H7-3 + C4H6-5 <=> C11H13-55", degeneracy = 2.0, - kinetics = Arrhenius( - A = (360000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (55.187, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(360000,'cm^3/(mol*s)'), n=2.41, Ea=(55.187,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Cs;CsJ-CbHH """, ) @@ -46958,18 +31430,11 @@ index = 2353, label = "C8H9 + C4H6-5 <=> C12H15-70", degeneracy = 2.0, - kinetics = Arrhenius( - A = (88400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (52.3, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(88400,'cm^3/(mol*s)'), n=2.41, Ea=(52.3,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Cs;CsJ-CbCsH """, ) @@ -46978,18 +31443,11 @@ index = 2354, label = "C9H11-15 + C4H6-5 <=> C13H17-65", degeneracy = 2.0, - kinetics = Arrhenius( - A = (14140, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (50.0406, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(14140,'cm^3/(mol*s)'), n=2.41, Ea=(50.0406,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Cs;CsJ-CbCsCs """, ) @@ -46998,18 +31456,11 @@ index = 2355, label = "C3H3 + C4H6-5 <=> C7H9-56", degeneracy = 2.0, - kinetics = Arrhenius( - A = (332000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (54.1828, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(332000,'cm^3/(mol*s)'), n=2.41, Ea=(54.1828,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Cs;CsJ-CtHH """, ) @@ -47018,18 +31469,11 @@ index = 2356, label = "C4H5-12 + C4H6-5 <=> C8H11-51", degeneracy = 2.0, - kinetics = Arrhenius( - A = (75000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (52.2163, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(75000,'cm^3/(mol*s)'), n=2.41, Ea=(52.2163,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Cs;CsJ-CtCsH """, ) @@ -47038,18 +31482,11 @@ index = 2357, label = "C5H7-5 + C4H6-5 <=> C9H13-67", degeneracy = 2.0, - kinetics = Arrhenius( - A = (19120, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (49.3712, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(19120,'cm^3/(mol*s)'), n=2.41, Ea=(49.3712,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Cs;CsJ-CtCsCs """, ) @@ -47058,18 +31495,11 @@ index = 2358, label = "C2H3 + C4H6-5 <=> C6H9-33", degeneracy = 2.0, - kinetics = Arrhenius( - A = (502000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (22.5936, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(502000,'cm^3/(mol*s)'), n=2.41, Ea=(22.5936,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Cs;CdsJ-H """, ) @@ -47078,18 +31508,11 @@ index = 2359, label = "C3H5 + C4H6-5 <=> C7H11-49", degeneracy = 2.0, - kinetics = Arrhenius( - A = (266000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (21.715, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(266000,'cm^3/(mol*s)'), n=2.41, Ea=(21.715,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Cs;CdsJ-Cs """, ) @@ -47098,18 +31521,11 @@ index = 2360, label = "C6H5 + C4H6-5 <=> C10H11-54", degeneracy = 2.0, - kinetics = Arrhenius( - A = (794000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (12.6357, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(794000,'cm^3/(mol*s)'), n=2.41, Ea=(12.6357,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Cs;CbJ """, ) @@ -47118,18 +31534,11 @@ index = 2361, label = "CH3 + C5H6-8 <=> C6H9-34", degeneracy = 1.0, - kinetics = Arrhenius( - A = (44900, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (25.0203, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(44900,'cm^3/(mol*s)'), n=2.41, Ea=(25.0203,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Cd;CsJ-HHH """, ) @@ -47138,18 +31547,11 @@ index = 2362, label = "C5H6-8 + C2H5 <=> C7H11-50", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4560, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (22.6354, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4560,'cm^3/(mol*s)'), n=2.41, Ea=(22.6354,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Cd;CsJ-CsHH """, ) @@ -47158,18 +31560,11 @@ index = 2363, label = "C5H6-8 + C3H7-2 <=> C8H13-58", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3660, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (17.6565, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3660,'cm^3/(mol*s)'), n=2.41, Ea=(17.6565,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Cd;CsJ-CsCsH """, ) @@ -47178,18 +31573,11 @@ index = 2364, label = "C5H6-8 + C4H9 <=> C9H15-55", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2710, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (11.7152, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2710,'cm^3/(mol*s)'), n=2.41, Ea=(11.7152,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Cd;CsJ-CsCsCs """, ) @@ -47198,18 +31586,11 @@ index = 2365, label = "allyl + C5H6-8 <=> C8H11-52", degeneracy = 2.0, - kinetics = Arrhenius( - A = (94800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (51.3377, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(94800,'cm^3/(mol*s)'), n=2.41, Ea=(51.3377,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Cd;CsJ-CdHH """, ) @@ -47218,18 +31599,11 @@ index = 2366, label = "C4H7-2 + C5H6-8 <=> C9H13-68", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8260, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (50.3335, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8260,'cm^3/(mol*s)'), n=2.41, Ea=(50.3335,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Cd;CsJ-CdCsH """, ) @@ -47238,18 +31612,11 @@ index = 2367, label = "C5H6-8 + C5H9 <=> C10H15-66", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1070, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (46.275, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1070,'cm^3/(mol*s)'), n=2.41, Ea=(46.275,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Cd;CsJ-CdCsCs """, ) @@ -47258,18 +31625,11 @@ index = 2368, label = "C5H7-3 + C5H6-8 <=> C10H13-66", degeneracy = 1.0, - kinetics = Arrhenius( - A = (16700, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (70.3749, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(16700,'cm^3/(mol*s)'), n=2.41, Ea=(70.3749,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Cd;CsJ-CdCdH """, ) @@ -47278,18 +31638,11 @@ index = 2369, label = "C6H9-12 + C5H6-8 <=> C11H15-75", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5680, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (69.6218, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5680,'cm^3/(mol*s)'), n=2.41, Ea=(69.6218,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Cd;CsJ-CdCdCs """, ) @@ -47298,18 +31651,11 @@ index = 2370, label = "C5H6-8 + C7H7-3 <=> C12H13-44", degeneracy = 1.0, - kinetics = Arrhenius( - A = (22000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (41.6308, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(22000,'cm^3/(mol*s)'), n=2.41, Ea=(41.6308,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Cd;CsJ-CbHH """, ) @@ -47318,18 +31664,11 @@ index = 2371, label = "C5H6-8 + C8H9 <=> C13H15-67", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5410, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (38.702, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5410,'cm^3/(mol*s)'), n=2.41, Ea=(38.702,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Cd;CsJ-CbCsH """, ) @@ -47338,18 +31677,11 @@ index = 2372, label = "C5H6-8 + C9H11-15 <=> C14H17-73", degeneracy = 1.0, - kinetics = Arrhenius( - A = (865, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (36.4426, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(865,'cm^3/(mol*s)'), n=2.41, Ea=(36.4426,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Cd;CsJ-CbCsCs """, ) @@ -47358,18 +31690,11 @@ index = 2373, label = "C3H3 + C5H6-8 <=> C8H9-20", degeneracy = 1.0, - kinetics = Arrhenius( - A = (20300, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (40.5848, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(20300,'cm^3/(mol*s)'), n=2.41, Ea=(40.5848,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Cd;CsJ-CtHH """, ) @@ -47378,18 +31703,11 @@ index = 2374, label = "C4H5-12 + C5H6-8 <=> C9H11-54", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4580, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (38.6602, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4580,'cm^3/(mol*s)'), n=2.41, Ea=(38.6602,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Cd;CsJ-CtCsH """, ) @@ -47398,18 +31716,11 @@ index = 2375, label = "C5H7-5 + C5H6-8 <=> C10H13-67", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1170, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (35.7732, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1170,'cm^3/(mol*s)'), n=2.41, Ea=(35.7732,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Cd;CsJ-CtCsCs """, ) @@ -47418,18 +31729,11 @@ index = 2376, label = "C2H3 + C5H6-8 <=> C7H9-57", degeneracy = 1.0, - kinetics = Arrhenius( - A = (30700, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (8.9956, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(30700,'cm^3/(mol*s)'), n=2.41, Ea=(8.9956,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Cd;CdsJ-H """, ) @@ -47438,18 +31742,11 @@ index = 2377, label = "C3H5 + C5H6-8 <=> C8H11-53", degeneracy = 1.0, - kinetics = Arrhenius( - A = (16300, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (8.11696, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(16300,'cm^3/(mol*s)'), n=2.41, Ea=(8.11696,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Cd;CdsJ-Cs """, ) @@ -47458,18 +31755,11 @@ index = 2378, label = "C5H6-8 + C6H5 <=> C11H11-21", degeneracy = 1.0, - kinetics = Arrhenius( - A = (48600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-0.96232, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(48600,'cm^3/(mol*s)'), n=2.41, Ea=(-0.96232,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Cd;CbJ """, ) @@ -47478,18 +31768,11 @@ index = 2379, label = "C5H4-2 + CH3 <=> C6H7-16", degeneracy = 1.0, - kinetics = Arrhenius( - A = (597000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (22.6773, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(597000,'cm^3/(mol*s)'), n=2.41, Ea=(22.6773,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Ct;CsJ-HHH """, ) @@ -47498,18 +31781,11 @@ index = 2380, label = "C5H4-2 + C2H5 <=> C7H9-58", degeneracy = 1.0, - kinetics = Arrhenius( - A = (60600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (20.2924, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(60600,'cm^3/(mol*s)'), n=2.41, Ea=(20.2924,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Ct;CsJ-CsHH """, ) @@ -47518,18 +31794,11 @@ index = 2381, label = "C5H4-2 + C3H7-2 <=> C8H11-54", degeneracy = 1.0, - kinetics = Arrhenius( - A = (48600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (15.2716, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(48600,'cm^3/(mol*s)'), n=2.41, Ea=(15.2716,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Ct;CsJ-CsCsH """, ) @@ -47538,18 +31807,11 @@ index = 2382, label = "C5H4-2 + C4H9 <=> C9H13-69", degeneracy = 1.0, - kinetics = Arrhenius( - A = (36000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (9.37216, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(36000,'cm^3/(mol*s)'), n=2.41, Ea=(9.37216,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Ct;CsJ-CsCsCs """, ) @@ -47558,18 +31820,11 @@ index = 2383, label = "C5H4-2 + allyl <=> C8H9-21", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1.26e+06, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (48.9946, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.26e+06,'cm^3/(mol*s)'), n=2.41, Ea=(48.9946,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Ct;CsJ-CdHH """, ) @@ -47578,18 +31833,11 @@ index = 2384, label = "C5H4-2 + C4H7-2 <=> C9H11-55", degeneracy = 1.0, - kinetics = Arrhenius( - A = (110000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (47.9905, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(110000,'cm^3/(mol*s)'), n=2.41, Ea=(47.9905,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Ct;CsJ-CdCsH """, ) @@ -47598,18 +31846,11 @@ index = 2385, label = "C5H4-2 + C5H9 <=> C10H13-68", degeneracy = 1.0, - kinetics = Arrhenius( - A = (14200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.8902, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(14200,'cm^3/(mol*s)'), n=2.41, Ea=(43.8902,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Ct;CsJ-CdCsCs """, ) @@ -47618,18 +31859,11 @@ index = 2386, label = "C5H4-2 + C5H7-3 <=> C10H11-55", degeneracy = 1.0, - kinetics = Arrhenius( - A = (221000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (67.99, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(221000,'cm^3/(mol*s)'), n=2.41, Ea=(67.99,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Ct;CsJ-CdCdH """, ) @@ -47638,18 +31872,11 @@ index = 2387, label = "C5H4-2 + C6H9-12 <=> C11H13-56", degeneracy = 1.0, - kinetics = Arrhenius( - A = (75500, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (67.2369, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(75500,'cm^3/(mol*s)'), n=2.41, Ea=(67.2369,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Ct;CsJ-CdCdCs """, ) @@ -47658,18 +31885,11 @@ index = 2388, label = "C5H4-2 + C7H7-3 <=> C12H11-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (292000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (39.2459, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(292000,'cm^3/(mol*s)'), n=2.41, Ea=(39.2459,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Ct;CsJ-CbHH """, ) @@ -47678,18 +31898,11 @@ index = 2389, label = "C5H4-2 + C8H9 <=> C13H13-23", degeneracy = 1.0, - kinetics = Arrhenius( - A = (71800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (36.359, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(71800,'cm^3/(mol*s)'), n=2.41, Ea=(36.359,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Ct;CsJ-CbCsH """, ) @@ -47698,18 +31911,11 @@ index = 2390, label = "C5H4-2 + C9H11-15 <=> C14H15-37", degeneracy = 1.0, - kinetics = Arrhenius( - A = (11500, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (34.0996, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(11500,'cm^3/(mol*s)'), n=2.41, Ea=(34.0996,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Ct;CsJ-CbCsCs """, ) @@ -47718,18 +31924,11 @@ index = 2391, label = "C5H4-2 + C3H3 <=> C8H7-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (270000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (38.2418, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(270000,'cm^3/(mol*s)'), n=2.41, Ea=(38.2418,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Ct;CsJ-CtHH """, ) @@ -47738,18 +31937,11 @@ index = 2392, label = "C5H4-2 + C4H5-12 <=> C9H9-31", degeneracy = 1.0, - kinetics = Arrhenius( - A = (60800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (36.2753, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(60800,'cm^3/(mol*s)'), n=2.41, Ea=(36.2753,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Ct;CsJ-CtCsH """, ) @@ -47758,18 +31950,11 @@ index = 2393, label = "C5H7-5 + C5H4-2 <=> C10H11-56", degeneracy = 1.0, - kinetics = Arrhenius( - A = (15500, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (33.4302, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(15500,'cm^3/(mol*s)'), n=2.41, Ea=(33.4302,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Ct;CsJ-CtCsCs """, ) @@ -47778,18 +31963,11 @@ index = 2394, label = "C5H4-2 + C2H3 <=> C7H7-13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (408000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (6.65256, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(408000,'cm^3/(mol*s)'), n=2.41, Ea=(6.65256,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Ct;CdsJ-H """, ) @@ -47798,18 +31976,11 @@ index = 2395, label = "C5H4-2 + C3H5 <=> C8H9-22", degeneracy = 1.0, - kinetics = Arrhenius( - A = (216000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (5.77392, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(216000,'cm^3/(mol*s)'), n=2.41, Ea=(5.77392,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Ct;CdsJ-Cs """, ) @@ -47818,18 +31989,11 @@ index = 2396, label = "C5H4-2 + C6H5 <=> C11H9-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (645000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-3.3472, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(645000,'cm^3/(mol*s)'), n=2.41, Ea=(-3.3472,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Ct;CbJ """, ) @@ -47838,18 +32002,11 @@ index = 2397, label = "C4H4-2 + CH3 <=> C5H7-14", degeneracy = 1.0, - kinetics = Arrhenius( - A = (36900, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (36.1079, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(36900,'cm^3/(mol*s)'), n=2.41, Ea=(36.1079,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-H;CsJ-HHH """, ) @@ -47858,18 +32015,11 @@ index = 2398, label = "C4H4-2 + C2H5 <=> C6H9-35", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3750, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (33.723, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3750,'cm^3/(mol*s)'), n=2.41, Ea=(33.723,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-H;CsJ-CsHH """, ) @@ -47878,18 +32028,11 @@ index = 2399, label = "C4H4-2 + C3H7-2 <=> C7H11-51", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3010, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (28.7441, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3010,'cm^3/(mol*s)'), n=2.41, Ea=(28.7441,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-H;CsJ-CsCsH """, ) @@ -47898,18 +32041,11 @@ index = 2400, label = "C4H4-2 + C4H9 <=> C8H13-59", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2230, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (22.8446, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2230,'cm^3/(mol*s)'), n=2.41, Ea=(22.8446,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-H;CsJ-CsCsCs """, ) @@ -47918,18 +32054,11 @@ index = 2401, label = "C4H4-2 + allyl <=> C7H9-59", degeneracy = 2.0, - kinetics = Arrhenius( - A = (78000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (62.4253, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(78000,'cm^3/(mol*s)'), n=2.41, Ea=(62.4253,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-H;CsJ-CdHH """, ) @@ -47938,18 +32067,11 @@ index = 2402, label = "C4H4-2 + C4H7-2 <=> C8H11-55", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6790, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (61.4211, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6790,'cm^3/(mol*s)'), n=2.41, Ea=(61.4211,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-H;CsJ-CdCsH """, ) @@ -47958,18 +32080,11 @@ index = 2403, label = "C4H4-2 + C5H9 <=> C9H13-70", degeneracy = 1.0, - kinetics = Arrhenius( - A = (878, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (57.3626, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(878,'cm^3/(mol*s)'), n=2.41, Ea=(57.3626,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-H;CsJ-CdCsCs """, ) @@ -47978,18 +32093,11 @@ index = 2404, label = "C4H4-2 + C5H7-3 <=> C9H11-56", degeneracy = 1.0, - kinetics = Arrhenius( - A = (13700, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (81.4625, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(13700,'cm^3/(mol*s)'), n=2.41, Ea=(81.4625,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-H;CsJ-CdCdH """, ) @@ -47998,18 +32106,11 @@ index = 2405, label = "C4H4-2 + C6H9-12 <=> C10H13-69", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4670, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (80.7094, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4670,'cm^3/(mol*s)'), n=2.41, Ea=(80.7094,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-H;CsJ-CdCdCs """, ) @@ -48018,18 +32119,11 @@ index = 2406, label = "C4H4-2 + C7H7-3 <=> C11H11-22", degeneracy = 1.0, - kinetics = Arrhenius( - A = (18100, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (52.7184, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(18100,'cm^3/(mol*s)'), n=2.41, Ea=(52.7184,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-H;CsJ-CbHH """, ) @@ -48038,18 +32132,11 @@ index = 2407, label = "C4H4-2 + C8H9 <=> C12H13-45", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4440, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (49.7896, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4440,'cm^3/(mol*s)'), n=2.41, Ea=(49.7896,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-H;CsJ-CbCsH """, ) @@ -48058,18 +32145,11 @@ index = 2408, label = "C4H4-2 + C9H11-15 <=> C13H15-68", degeneracy = 1.0, - kinetics = Arrhenius( - A = (711, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (47.5302, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(711,'cm^3/(mol*s)'), n=2.41, Ea=(47.5302,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-H;CsJ-CbCsCs """, ) @@ -48078,18 +32158,11 @@ index = 2409, label = "C3H3 + C4H4-2 <=> C7H7-14", degeneracy = 1.0, - kinetics = Arrhenius( - A = (16700, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (51.6724, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(16700,'cm^3/(mol*s)'), n=2.41, Ea=(51.6724,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-H;CsJ-CtHH """, ) @@ -48098,18 +32171,11 @@ index = 2410, label = "C4H5-12 + C4H4-2 <=> C8H9-23", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3770, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (49.7478, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3770,'cm^3/(mol*s)'), n=2.41, Ea=(49.7478,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-H;CsJ-CtCsH """, ) @@ -48118,18 +32184,11 @@ index = 2411, label = "C5H7-5 + C4H4-2 <=> C9H11-57", degeneracy = 1.0, - kinetics = Arrhenius( - A = (961, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (46.9026, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(961,'cm^3/(mol*s)'), n=2.41, Ea=(46.9026,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-H;CsJ-CtCsCs """, ) @@ -48138,18 +32197,11 @@ index = 2412, label = "C4H4-2 + C2H3 <=> C6H7-17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (25300, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (20.125, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(25300,'cm^3/(mol*s)'), n=2.41, Ea=(20.125,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-H;CdsJ-H """, ) @@ -48158,18 +32210,11 @@ index = 2413, label = "C4H4-2 + C3H5 <=> C7H9-60", degeneracy = 1.0, - kinetics = Arrhenius( - A = (13400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (19.2046, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(13400,'cm^3/(mol*s)'), n=2.41, Ea=(19.2046,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-H;CdsJ-Cs """, ) @@ -48178,18 +32223,11 @@ index = 2414, label = "C4H4-2 + C6H5 <=> C10H9-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (39900, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (10.1253, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(39900,'cm^3/(mol*s)'), n=2.41, Ea=(10.1253,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-H;CbJ """, ) @@ -48198,18 +32236,11 @@ index = 2415, label = "CH3 + C5H6-9 <=> C6H9-36", degeneracy = 1.0, - kinetics = Arrhenius( - A = (98100, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (37.907, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(98100,'cm^3/(mol*s)'), n=2.41, Ea=(37.907,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Cs;CsJ-HHH """, ) @@ -48218,18 +32249,11 @@ index = 2416, label = "C5H6-9 + C2H5 <=> C7H11-52", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9960, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (35.564, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9960,'cm^3/(mol*s)'), n=2.41, Ea=(35.564,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Cs;CsJ-CsHH """, ) @@ -48238,18 +32262,11 @@ index = 2417, label = "C5H6-9 + C3H7-2 <=> C8H13-60", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7990, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (30.5432, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7990,'cm^3/(mol*s)'), n=2.41, Ea=(30.5432,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Cs;CsJ-CsCsH """, ) @@ -48258,18 +32275,11 @@ index = 2418, label = "C5H6-9 + C4H9 <=> C9H15-56", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5920, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (24.6438, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5920,'cm^3/(mol*s)'), n=2.41, Ea=(24.6438,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Cs;CsJ-CsCsCs """, ) @@ -48278,18 +32288,11 @@ index = 2419, label = "allyl + C5H6-9 <=> C8H11-56", degeneracy = 2.0, - kinetics = Arrhenius( - A = (206000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (64.2244, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(206000,'cm^3/(mol*s)'), n=2.41, Ea=(64.2244,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Cs;CsJ-CdHH """, ) @@ -48298,18 +32301,11 @@ index = 2420, label = "C4H7-2 + C5H6-9 <=> C9H13-71", degeneracy = 1.0, - kinetics = Arrhenius( - A = (18000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (63.2202, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(18000,'cm^3/(mol*s)'), n=2.41, Ea=(63.2202,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Cs;CsJ-CdCsH """, ) @@ -48318,18 +32314,11 @@ index = 2421, label = "C5H9 + C5H6-9 <=> C10H15-67", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2330, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (59.1618, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2330,'cm^3/(mol*s)'), n=2.41, Ea=(59.1618,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Cs;CsJ-CdCsCs """, ) @@ -48338,18 +32327,11 @@ index = 2422, label = "C5H6-9 + C5H7-3 <=> C10H13-70", degeneracy = 1.0, - kinetics = Arrhenius( - A = (36300, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (83.2616, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(36300,'cm^3/(mol*s)'), n=2.41, Ea=(83.2616,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Cs;CsJ-CdCdH """, ) @@ -48358,18 +32340,11 @@ index = 2423, label = "C5H6-9 + C6H9-12 <=> C11H15-76", degeneracy = 1.0, - kinetics = Arrhenius( - A = (12400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (82.5085, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(12400,'cm^3/(mol*s)'), n=2.41, Ea=(82.5085,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Cs;CsJ-CdCdCs """, ) @@ -48378,18 +32353,11 @@ index = 2424, label = "C5H6-9 + C7H7-3 <=> C12H13-46", degeneracy = 1.0, - kinetics = Arrhenius( - A = (48000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (54.5175, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(48000,'cm^3/(mol*s)'), n=2.41, Ea=(54.5175,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Cs;CsJ-CbHH """, ) @@ -48398,18 +32366,11 @@ index = 2425, label = "C5H6-9 + C8H9 <=> C13H15-69", degeneracy = 1.0, - kinetics = Arrhenius( - A = (11800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (51.5887, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(11800,'cm^3/(mol*s)'), n=2.41, Ea=(51.5887,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Cs;CsJ-CbCsH """, ) @@ -48418,18 +32379,11 @@ index = 2426, label = "C5H6-9 + C9H11-15 <=> C14H17-74", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1890, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (49.3294, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1890,'cm^3/(mol*s)'), n=2.41, Ea=(49.3294,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Cs;CsJ-CbCsCs """, ) @@ -48438,18 +32392,11 @@ index = 2427, label = "C3H3 + C5H6-9 <=> C8H9-24", degeneracy = 1.0, - kinetics = Arrhenius( - A = (44400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (53.4715, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(44400,'cm^3/(mol*s)'), n=2.41, Ea=(53.4715,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Cs;CsJ-CtHH """, ) @@ -48458,18 +32405,11 @@ index = 2428, label = "C4H5-12 + C5H6-9 <=> C9H11-58", degeneracy = 1.0, - kinetics = Arrhenius( - A = (10000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (51.5469, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(10000,'cm^3/(mol*s)'), n=2.41, Ea=(51.5469,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Cs;CsJ-CtCsH """, ) @@ -48478,18 +32418,11 @@ index = 2429, label = "C5H7-5 + C5H6-9 <=> C10H13-71", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2550, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (48.7018, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2550,'cm^3/(mol*s)'), n=2.41, Ea=(48.7018,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Cs;CsJ-CtCsCs """, ) @@ -48498,18 +32431,11 @@ index = 2430, label = "C2H3 + C5H6-9 <=> C7H9-61", degeneracy = 1.0, - kinetics = Arrhenius( - A = (67100, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (21.9242, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(67100,'cm^3/(mol*s)'), n=2.41, Ea=(21.9242,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Cs;CdsJ-H """, ) @@ -48518,18 +32444,11 @@ index = 2431, label = "C3H5 + C5H6-9 <=> C8H11-57", degeneracy = 1.0, - kinetics = Arrhenius( - A = (35600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (21.0037, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(35600,'cm^3/(mol*s)'), n=2.41, Ea=(21.0037,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Cs;CdsJ-Cs """, ) @@ -48538,18 +32457,11 @@ index = 2432, label = "C5H6-9 + C6H5 <=> C11H11-23", degeneracy = 1.0, - kinetics = Arrhenius( - A = (106000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (11.9244, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(106000,'cm^3/(mol*s)'), n=2.41, Ea=(11.9244,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Cs;CbJ """, ) @@ -48558,18 +32470,11 @@ index = 2433, label = "CH3 + C6H6-9 <=> C7H9-62", degeneracy = 2.0, - kinetics = Arrhenius( - A = (24000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (24.3509, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(24000,'cm^3/(mol*s)'), n=2.41, Ea=(24.3509,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Cd;CsJ-HHH """, ) @@ -48578,18 +32483,11 @@ index = 2434, label = "C6H6-9 + C2H5 <=> C8H11-58", degeneracy = 2.0, - kinetics = Arrhenius( - A = (2440, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (21.966, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2440,'cm^3/(mol*s)'), n=2.41, Ea=(21.966,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Cd;CsJ-CsHH """, ) @@ -48598,18 +32496,11 @@ index = 2435, label = "C6H6-9 + C3H7-2 <=> C9H13-72", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1954, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (16.9452, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1954,'cm^3/(mol*s)'), n=2.41, Ea=(16.9452,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Cd;CsJ-CsCsH """, ) @@ -48618,18 +32509,11 @@ index = 2436, label = "C6H6-9 + C4H9 <=> C10H15-68", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1448, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (11.0458, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1448,'cm^3/(mol*s)'), n=2.41, Ea=(11.0458,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Cd;CsJ-CsCsCs """, ) @@ -48638,18 +32522,11 @@ index = 2437, label = "allyl + C6H6-9 <=> C9H11-59", degeneracy = 4.0, - kinetics = Arrhenius( - A = (50800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (50.6682, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(50800,'cm^3/(mol*s)'), n=2.41, Ea=(50.6682,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Cd;CsJ-CdHH """, ) @@ -48658,18 +32535,11 @@ index = 2438, label = "C6H6-9 + C4H7-2 <=> C10H13-72", degeneracy = 2.0, - kinetics = Arrhenius( - A = (4400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (49.6641, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4400,'cm^3/(mol*s)'), n=2.41, Ea=(49.6641,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Cd;CsJ-CdCsH """, ) @@ -48678,18 +32548,11 @@ index = 2439, label = "C6H6-9 + C5H9 <=> C11H15-77", degeneracy = 2.0, - kinetics = Arrhenius( - A = (570, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (45.5638, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(570,'cm^3/(mol*s)'), n=2.41, Ea=(45.5638,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Cd;CsJ-CdCsCs """, ) @@ -48698,18 +32561,11 @@ index = 2440, label = "C6H6-9 + C5H7-3 <=> C11H13-57", degeneracy = 2.0, - kinetics = Arrhenius( - A = (8900, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (69.6636, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8900,'cm^3/(mol*s)'), n=2.41, Ea=(69.6636,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Cd;CsJ-CdCdH """, ) @@ -48718,18 +32574,11 @@ index = 2441, label = "C6H6-9 + C6H9-12 <=> C12H15-71", degeneracy = 2.0, - kinetics = Arrhenius( - A = (3040, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (68.9105, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3040,'cm^3/(mol*s)'), n=2.41, Ea=(68.9105,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Cd;CsJ-CdCdCs """, ) @@ -48738,18 +32587,11 @@ index = 2442, label = "C6H6-9 + C7H7-3 <=> C13H13-24", degeneracy = 2.0, - kinetics = Arrhenius( - A = (11740, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (40.9195, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(11740,'cm^3/(mol*s)'), n=2.41, Ea=(40.9195,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Cd;CsJ-CbHH """, ) @@ -48758,18 +32600,11 @@ index = 2443, label = "C6H6-9 + C8H9 <=> C14H15-38", degeneracy = 2.0, - kinetics = Arrhenius( - A = (2880, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (38.0326, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2880,'cm^3/(mol*s)'), n=2.41, Ea=(38.0326,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Cd;CsJ-CbCsH """, ) @@ -48778,18 +32613,11 @@ index = 2444, label = "C6H6-9 + C9H11-15 <=> C15H17-44", degeneracy = 2.0, - kinetics = Arrhenius( - A = (462, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (35.7732, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(462,'cm^3/(mol*s)'), n=2.41, Ea=(35.7732,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Cd;CsJ-CbCsCs """, ) @@ -48798,18 +32626,11 @@ index = 2445, label = "C3H3 + C6H6-9 <=> C9H9-32", degeneracy = 2.0, - kinetics = Arrhenius( - A = (10860, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (39.9154, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(10860,'cm^3/(mol*s)'), n=2.41, Ea=(39.9154,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Cd;CsJ-CtHH """, ) @@ -48818,18 +32639,11 @@ index = 2446, label = "C4H5-12 + C6H6-9 <=> C10H11-57", degeneracy = 2.0, - kinetics = Arrhenius( - A = (2440, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (37.9489, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2440,'cm^3/(mol*s)'), n=2.41, Ea=(37.9489,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Cd;CsJ-CtCsH """, ) @@ -48838,18 +32652,11 @@ index = 2447, label = "C5H7-5 + C6H6-9 <=> C11H13-58", degeneracy = 2.0, - kinetics = Arrhenius( - A = (624, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (35.1038, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(624,'cm^3/(mol*s)'), n=2.41, Ea=(35.1038,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Cd;CsJ-CtCsCs """, ) @@ -48858,18 +32665,11 @@ index = 2448, label = "C2H3 + C6H6-9 <=> C8H9-25", degeneracy = 2.0, - kinetics = Arrhenius( - A = (16420, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (8.32616, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(16420,'cm^3/(mol*s)'), n=2.41, Ea=(8.32616,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Cd;CdsJ-H """, ) @@ -48878,18 +32678,11 @@ index = 2449, label = "C3H5 + C6H6-9 <=> C9H11-60", degeneracy = 2.0, - kinetics = Arrhenius( - A = (8700, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (7.44752, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8700,'cm^3/(mol*s)'), n=2.41, Ea=(7.44752,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Cd;CdsJ-Cs """, ) @@ -48898,18 +32691,11 @@ index = 2450, label = "C6H6-9 + C6H5 <=> C12H11-10", degeneracy = 2.0, - kinetics = Arrhenius( - A = (26000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-1.6736, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(26000,'cm^3/(mol*s)'), n=2.41, Ea=(-1.6736,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Cd;CbJ """, ) @@ -48918,18 +32704,11 @@ index = 2451, label = "C6H4-2 + CH3 <=> C7H7-15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (159000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (21.966, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(159000,'cm^3/(mol*s)'), n=2.41, Ea=(21.966,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Ct;CsJ-HHH """, ) @@ -48938,18 +32717,11 @@ index = 2452, label = "C6H4-2 + C2H5 <=> C8H9-26", degeneracy = 1.0, - kinetics = Arrhenius( - A = (16200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (19.5811, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(16200,'cm^3/(mol*s)'), n=2.41, Ea=(19.5811,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Ct;CsJ-CsHH """, ) @@ -48958,18 +32730,11 @@ index = 2453, label = "C6H4-2 + C3H7-2 <=> C9H11-61", degeneracy = 1.0, - kinetics = Arrhenius( - A = (13000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (14.6022, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(13000,'cm^3/(mol*s)'), n=2.41, Ea=(14.6022,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Ct;CsJ-CsCsH """, ) @@ -48978,18 +32743,11 @@ index = 2454, label = "C6H4-2 + C4H9 <=> C10H13-73", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9610, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (8.66088, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9610,'cm^3/(mol*s)'), n=2.41, Ea=(8.66088,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Ct;CsJ-CsCsCs """, ) @@ -48998,18 +32756,11 @@ index = 2455, label = "C6H4-2 + allyl <=> C9H9-33", degeneracy = 2.0, - kinetics = Arrhenius( - A = (336000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (48.2834, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(336000,'cm^3/(mol*s)'), n=2.41, Ea=(48.2834,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Ct;CsJ-CdHH """, ) @@ -49018,18 +32769,11 @@ index = 2456, label = "C6H4-2 + C4H7-2 <=> C10H11-58", degeneracy = 1.0, - kinetics = Arrhenius( - A = (29300, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (47.2792, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(29300,'cm^3/(mol*s)'), n=2.41, Ea=(47.2792,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Ct;CsJ-CdCsH """, ) @@ -49038,18 +32782,11 @@ index = 2457, label = "C6H4-2 + C5H9 <=> C11H13-59", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3790, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.2207, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3790,'cm^3/(mol*s)'), n=2.41, Ea=(43.2207,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Ct;CsJ-CdCsCs """, ) @@ -49058,18 +32795,11 @@ index = 2458, label = "C6H4-2 + C5H7-3 <=> C11H11-24", degeneracy = 1.0, - kinetics = Arrhenius( - A = (59000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (67.3206, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(59000,'cm^3/(mol*s)'), n=2.41, Ea=(67.3206,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Ct;CsJ-CdCdH """, ) @@ -49078,18 +32808,11 @@ index = 2459, label = "C6H4-2 + C6H9-12 <=> C12H13-47", degeneracy = 1.0, - kinetics = Arrhenius( - A = (20200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (66.5674, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(20200,'cm^3/(mol*s)'), n=2.41, Ea=(66.5674,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Ct;CsJ-CdCdCs """, ) @@ -49098,18 +32821,11 @@ index = 2460, label = "C6H4-2 + C7H7-3 <=> C13H11-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (77900, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (38.5765, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(77900,'cm^3/(mol*s)'), n=2.41, Ea=(38.5765,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Ct;CsJ-CbHH """, ) @@ -49118,18 +32834,11 @@ index = 2461, label = "C6H4-2 + C8H9 <=> C14H13-15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (19200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (35.6477, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(19200,'cm^3/(mol*s)'), n=2.41, Ea=(35.6477,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Ct;CsJ-CbCsH """, ) @@ -49138,18 +32847,11 @@ index = 2462, label = "C6H4-2 + C9H11-15 <=> C15H15-28", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3070, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (33.3883, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3070,'cm^3/(mol*s)'), n=2.41, Ea=(33.3883,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Ct;CsJ-CbCsCs """, ) @@ -49158,18 +32860,11 @@ index = 2463, label = "C6H4-2 + C3H3 <=> C9H7-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (72000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (37.5305, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(72000,'cm^3/(mol*s)'), n=2.41, Ea=(37.5305,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Ct;CsJ-CtHH """, ) @@ -49178,18 +32873,11 @@ index = 2464, label = "C6H4-2 + C4H5-12 <=> C10H9-37", degeneracy = 1.0, - kinetics = Arrhenius( - A = (16200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (35.6058, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(16200,'cm^3/(mol*s)'), n=2.41, Ea=(35.6058,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Ct;CsJ-CtCsH """, ) @@ -49198,18 +32886,11 @@ index = 2465, label = "C6H4-2 + C5H7-5 <=> C11H11-25", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4140, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (32.7189, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4140,'cm^3/(mol*s)'), n=2.41, Ea=(32.7189,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Ct;CsJ-CtCsCs """, ) @@ -49218,18 +32899,11 @@ index = 2466, label = "C6H4-2 + C2H3 <=> C8H7-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (109000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (5.94128, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(109000,'cm^3/(mol*s)'), n=2.41, Ea=(5.94128,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Ct;CdsJ-H """, ) @@ -49238,18 +32912,11 @@ index = 2467, label = "C6H4-2 + C3H5 <=> C9H9-34", degeneracy = 1.0, - kinetics = Arrhenius( - A = (57800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (5.06264, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(57800,'cm^3/(mol*s)'), n=2.41, Ea=(5.06264,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Ct;CdsJ-Cs """, ) @@ -49258,18 +32925,11 @@ index = 2468, label = "C6H4-2 + C6H5 <=> C12H9-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (172000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-4.01664, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(172000,'cm^3/(mol*s)'), n=2.41, Ea=(-4.01664,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Ct;CbJ """, ) @@ -49278,18 +32938,11 @@ index = 2469, label = "C4H2-2 + CH3 <=> C5H5-4", degeneracy = 2.0, - kinetics = Arrhenius( - A = (204000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (34.8527, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(204000,'cm^3/(mol*s)'), n=2.41, Ea=(34.8527,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-H;CsJ-HHH """, ) @@ -49298,18 +32951,11 @@ index = 2470, label = "C4H2-2 + C2H5 <=> C6H7-18", degeneracy = 2.0, - kinetics = Arrhenius( - A = (20800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (32.4678, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(20800,'cm^3/(mol*s)'), n=2.41, Ea=(32.4678,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-H;CsJ-CsHH """, ) @@ -49318,18 +32964,11 @@ index = 2471, label = "C4H2-2 + C3H7-2 <=> C7H9-63", degeneracy = 2.0, - kinetics = Arrhenius( - A = (16680, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (27.4889, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(16680,'cm^3/(mol*s)'), n=2.41, Ea=(27.4889,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-H;CsJ-CsCsH """, ) @@ -49338,18 +32977,11 @@ index = 2472, label = "C4H2-2 + C4H9 <=> C8H11-59", degeneracy = 2.0, - kinetics = Arrhenius( - A = (12360, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (21.5476, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(12360,'cm^3/(mol*s)'), n=2.41, Ea=(21.5476,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-H;CsJ-CsCsCs """, ) @@ -49358,18 +32990,11 @@ index = 2473, label = "C4H2-2 + allyl <=> C7H7-16", degeneracy = 4.0, - kinetics = Arrhenius( - A = (432000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (61.1701, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(432000,'cm^3/(mol*s)'), n=2.41, Ea=(61.1701,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-H;CsJ-CdHH """, ) @@ -49378,18 +33003,11 @@ index = 2474, label = "C4H2-2 + C4H7-2 <=> C8H9-27", degeneracy = 2.0, - kinetics = Arrhenius( - A = (37600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (60.1659, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(37600,'cm^3/(mol*s)'), n=2.41, Ea=(60.1659,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-H;CsJ-CdCsH """, ) @@ -49398,18 +33016,11 @@ index = 2475, label = "C4H2-2 + C5H9 <=> C9H11-62", degeneracy = 2.0, - kinetics = Arrhenius( - A = (4860, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (56.1074, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4860,'cm^3/(mol*s)'), n=2.41, Ea=(56.1074,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-H;CsJ-CdCsCs """, ) @@ -49418,18 +33029,11 @@ index = 2476, label = "C4H2-2 + C5H7-3 <=> C9H9-35", degeneracy = 2.0, - kinetics = Arrhenius( - A = (75800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (80.1654, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(75800,'cm^3/(mol*s)'), n=2.41, Ea=(80.1654,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-H;CsJ-CdCdH """, ) @@ -49438,18 +33042,11 @@ index = 2477, label = "C4H2-2 + C6H9-12 <=> C10H11-59", degeneracy = 2.0, - kinetics = Arrhenius( - A = (26000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (79.4123, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(26000,'cm^3/(mol*s)'), n=2.41, Ea=(79.4123,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-H;CsJ-CdCdCs """, ) @@ -49458,18 +33055,11 @@ index = 2478, label = "C4H2-2 + C7H7-3 <=> C11H9-4", degeneracy = 2.0, - kinetics = Arrhenius( - A = (100200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (51.4214, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(100200,'cm^3/(mol*s)'), n=2.41, Ea=(51.4214,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-H;CsJ-CbHH """, ) @@ -49478,18 +33068,11 @@ index = 2479, label = "C4H2-2 + C8H9 <=> C12H11-11", degeneracy = 2.0, - kinetics = Arrhenius( - A = (24600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (48.5344, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(24600,'cm^3/(mol*s)'), n=2.41, Ea=(48.5344,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-H;CsJ-CbCsH """, ) @@ -49498,18 +33081,11 @@ index = 2480, label = "C4H2-2 + C9H11-15 <=> C13H13-25", degeneracy = 2.0, - kinetics = Arrhenius( - A = (3940, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (46.275, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3940,'cm^3/(mol*s)'), n=2.41, Ea=(46.275,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-H;CsJ-CbCsCs """, ) @@ -49518,18 +33094,11 @@ index = 2481, label = "C3H3 + C4H2-2 <=> C7H5-2", degeneracy = 2.0, - kinetics = Arrhenius( - A = (92600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (50.4172, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(92600,'cm^3/(mol*s)'), n=2.41, Ea=(50.4172,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-H;CsJ-CtHH """, ) @@ -49538,18 +33107,11 @@ index = 2482, label = "C4H5-12 + C4H2-2 <=> C8H7-10", degeneracy = 2.0, - kinetics = Arrhenius( - A = (20800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (48.4507, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(20800,'cm^3/(mol*s)'), n=2.41, Ea=(48.4507,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-H;CsJ-CtCsH """, ) @@ -49558,18 +33120,11 @@ index = 2483, label = "C5H7-5 + C4H2-2 <=> C9H9-36", degeneracy = 2.0, - kinetics = Arrhenius( - A = (5320, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (45.6056, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5320,'cm^3/(mol*s)'), n=2.41, Ea=(45.6056,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-H;CsJ-CtCsCs """, ) @@ -49578,18 +33133,11 @@ index = 2484, label = "C4H2-2 + C2H3 <=> C6H5-3", degeneracy = 2.0, - kinetics = Arrhenius( - A = (140000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (18.828, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(140000,'cm^3/(mol*s)'), n=2.41, Ea=(18.828,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-H;CdsJ-H """, ) @@ -49598,18 +33146,11 @@ index = 2485, label = "C4H2-2 + C3H5 <=> C7H7-17", degeneracy = 2.0, - kinetics = Arrhenius( - A = (74200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (17.9494, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(74200,'cm^3/(mol*s)'), n=2.41, Ea=(17.9494,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-H;CdsJ-Cs """, ) @@ -49618,18 +33159,11 @@ index = 2486, label = "C4H2-2 + C6H5 <=> C10H7-9", degeneracy = 2.0, - kinetics = Arrhenius( - A = (222000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (8.87008, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(222000,'cm^3/(mol*s)'), n=2.41, Ea=(8.87008,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-H;CbJ """, ) @@ -49638,18 +33172,11 @@ index = 2487, label = "C5H4-3 + CH3 <=> C6H7-19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (272000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (36.6518, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(272000,'cm^3/(mol*s)'), n=2.41, Ea=(36.6518,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Cs;CsJ-HHH """, ) @@ -49658,18 +33185,11 @@ index = 2488, label = "C5H4-3 + C2H5 <=> C7H9-64", degeneracy = 1.0, - kinetics = Arrhenius( - A = (27600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (34.267, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(27600,'cm^3/(mol*s)'), n=2.41, Ea=(34.267,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Cs;CsJ-CsHH """, ) @@ -49678,18 +33198,11 @@ index = 2489, label = "C5H4-3 + C3H7-2 <=> C8H11-60", degeneracy = 1.0, - kinetics = Arrhenius( - A = (22100, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (29.288, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(22100,'cm^3/(mol*s)'), n=2.41, Ea=(29.288,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Cs;CsJ-CsCsH """, ) @@ -49698,18 +33211,11 @@ index = 2490, label = "C5H4-3 + C4H9 <=> C9H13-73", degeneracy = 1.0, - kinetics = Arrhenius( - A = (16400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (23.3467, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(16400,'cm^3/(mol*s)'), n=2.41, Ea=(23.3467,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Cs;CsJ-CsCsCs """, ) @@ -49718,18 +33224,11 @@ index = 2491, label = "C5H4-3 + allyl <=> C8H9-28", degeneracy = 2.0, - kinetics = Arrhenius( - A = (574000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (62.9692, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(574000,'cm^3/(mol*s)'), n=2.41, Ea=(62.9692,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Cs;CsJ-CdHH """, ) @@ -49738,18 +33237,11 @@ index = 2492, label = "C5H4-3 + C4H7-2 <=> C9H11-63", degeneracy = 1.0, - kinetics = Arrhenius( - A = (50000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (61.965, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(50000,'cm^3/(mol*s)'), n=2.41, Ea=(61.965,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Cs;CsJ-CdCsH """, ) @@ -49758,18 +33250,11 @@ index = 2493, label = "C5H4-3 + C5H9 <=> C10H13-74", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6460, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (57.9066, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6460,'cm^3/(mol*s)'), n=2.41, Ea=(57.9066,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Cs;CsJ-CdCsCs """, ) @@ -49778,18 +33263,11 @@ index = 2494, label = "C5H4-3 + C5H7-3 <=> C10H11-60", degeneracy = 1.0, - kinetics = Arrhenius( - A = (101000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (81.9646, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(101000,'cm^3/(mol*s)'), n=2.41, Ea=(81.9646,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Cs;CsJ-CdCdH """, ) @@ -49798,18 +33276,11 @@ index = 2495, label = "C5H4-3 + C6H9-12 <=> C11H13-60", degeneracy = 1.0, - kinetics = Arrhenius( - A = (34400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (81.2114, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(34400,'cm^3/(mol*s)'), n=2.41, Ea=(81.2114,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Cs;CsJ-CdCdCs """, ) @@ -49818,18 +33289,11 @@ index = 2496, label = "C5H4-3 + C7H7-3 <=> C12H11-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (133000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (53.2205, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(133000,'cm^3/(mol*s)'), n=2.41, Ea=(53.2205,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Cs;CsJ-CbHH """, ) @@ -49838,18 +33302,11 @@ index = 2497, label = "C5H4-3 + C8H9 <=> C13H13-26", degeneracy = 1.0, - kinetics = Arrhenius( - A = (32700, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (50.3335, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(32700,'cm^3/(mol*s)'), n=2.41, Ea=(50.3335,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Cs;CsJ-CbCsH """, ) @@ -49858,18 +33315,11 @@ index = 2498, label = "C5H4-3 + C9H11-15 <=> C14H15-39", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5230, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (48.0742, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5230,'cm^3/(mol*s)'), n=2.41, Ea=(48.0742,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Cs;CsJ-CbCsCs """, ) @@ -49878,18 +33328,11 @@ index = 2499, label = "C3H3 + C5H4-3 <=> C8H7-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (123000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (52.2163, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(123000,'cm^3/(mol*s)'), n=2.41, Ea=(52.2163,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Cs;CsJ-CtHH """, ) @@ -49898,18 +33341,11 @@ index = 2500, label = "C4H5-12 + C5H4-3 <=> C9H9-37", degeneracy = 1.0, - kinetics = Arrhenius( - A = (27700, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (50.2498, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(27700,'cm^3/(mol*s)'), n=2.41, Ea=(50.2498,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Cs;CsJ-CtCsH """, ) @@ -49918,18 +33354,11 @@ index = 2501, label = "C5H7-5 + C5H4-3 <=> C10H11-61", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7070, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (47.4047, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7070,'cm^3/(mol*s)'), n=2.41, Ea=(47.4047,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Cs;CsJ-CtCsCs """, ) @@ -49938,18 +33367,11 @@ index = 2502, label = "C5H4-3 + C2H3 <=> C7H7-18", degeneracy = 1.0, - kinetics = Arrhenius( - A = (186000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (20.6271, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(186000,'cm^3/(mol*s)'), n=2.41, Ea=(20.6271,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Cs;CdsJ-H """, ) @@ -49958,18 +33380,11 @@ index = 2503, label = "C5H4-3 + C3H5 <=> C8H9-29", degeneracy = 1.0, - kinetics = Arrhenius( - A = (98600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (19.7485, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(98600,'cm^3/(mol*s)'), n=2.41, Ea=(19.7485,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Cs;CdsJ-Cs """, ) @@ -49978,18 +33393,11 @@ index = 2504, label = "C5H4-3 + C6H5 <=> C11H9-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (294000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (10.6692, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(294000,'cm^3/(mol*s)'), n=2.41, Ea=(10.6692,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Cs;CbJ """, ) @@ -49998,18 +33406,11 @@ index = 2505, label = "C6H4-3 + CH3 <=> C7H7-19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (33300, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (23.0538, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(33300,'cm^3/(mol*s)'), n=2.41, Ea=(23.0538,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Cd;CsJ-HHH """, ) @@ -50018,18 +33419,11 @@ index = 2506, label = "C6H4-3 + C2H5 <=> C8H9-30", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3380, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (20.669, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3380,'cm^3/(mol*s)'), n=2.41, Ea=(20.669,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Cd;CsJ-CsHH """, ) @@ -50038,18 +33432,11 @@ index = 2507, label = "C6H4-3 + C3H7-2 <=> C9H11-64", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2710, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (15.69, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2710,'cm^3/(mol*s)'), n=2.41, Ea=(15.69,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Cd;CsJ-CsCsH """, ) @@ -50058,18 +33445,11 @@ index = 2508, label = "C6H4-3 + C4H9 <=> C10H13-75", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2010, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (9.74872, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2010,'cm^3/(mol*s)'), n=2.41, Ea=(9.74872,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Cd;CsJ-CsCsCs """, ) @@ -50078,18 +33458,11 @@ index = 2509, label = "C6H4-3 + allyl <=> C9H9-38", degeneracy = 2.0, - kinetics = Arrhenius( - A = (70200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (49.3712, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(70200,'cm^3/(mol*s)'), n=2.41, Ea=(49.3712,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Cd;CsJ-CdHH """, ) @@ -50098,18 +33471,11 @@ index = 2510, label = "C6H4-3 + C4H7-2 <=> C10H11-62", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6110, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (48.367, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6110,'cm^3/(mol*s)'), n=2.41, Ea=(48.367,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Cd;CsJ-CdCsH """, ) @@ -50118,18 +33484,11 @@ index = 2511, label = "C6H4-3 + C5H9 <=> C11H13-61", degeneracy = 1.0, - kinetics = Arrhenius( - A = (790, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (44.3086, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(790,'cm^3/(mol*s)'), n=2.41, Ea=(44.3086,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Cd;CsJ-CdCsCs """, ) @@ -50138,18 +33497,11 @@ index = 2512, label = "C6H4-3 + C5H7-3 <=> C11H11-26", degeneracy = 1.0, - kinetics = Arrhenius( - A = (12300, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (68.4084, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(12300,'cm^3/(mol*s)'), n=2.41, Ea=(68.4084,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Cd;CsJ-CdCdH """, ) @@ -50158,18 +33510,11 @@ index = 2513, label = "C6H4-3 + C6H9-12 <=> C12H13-48", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4210, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (67.6553, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4210,'cm^3/(mol*s)'), n=2.41, Ea=(67.6553,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Cd;CsJ-CdCdCs """, ) @@ -50178,18 +33523,11 @@ index = 2514, label = "C6H4-3 + C7H7-3 <=> C13H11-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (16300, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (39.6643, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(16300,'cm^3/(mol*s)'), n=2.41, Ea=(39.6643,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Cd;CsJ-CbHH """, ) @@ -50198,18 +33536,11 @@ index = 2515, label = "C6H4-3 + C8H9 <=> C14H13-16", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (36.7355, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4000,'cm^3/(mol*s)'), n=2.41, Ea=(36.7355,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Cd;CsJ-CbCsH """, ) @@ -50218,18 +33549,11 @@ index = 2516, label = "C6H4-3 + C9H11-15 <=> C15H15-29", degeneracy = 1.0, - kinetics = Arrhenius( - A = (640, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (34.4762, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(640,'cm^3/(mol*s)'), n=2.41, Ea=(34.4762,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Cd;CsJ-CbCsCs """, ) @@ -50238,18 +33562,11 @@ index = 2517, label = "C6H4-3 + C3H3 <=> C9H7-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (15000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (38.6183, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(15000,'cm^3/(mol*s)'), n=2.41, Ea=(38.6183,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Cd;CsJ-CtHH """, ) @@ -50258,18 +33575,11 @@ index = 2518, label = "C6H4-3 + C4H5-12 <=> C10H9-38", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3390, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (36.6937, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3390,'cm^3/(mol*s)'), n=2.41, Ea=(36.6937,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Cd;CsJ-CtCsH """, ) @@ -50278,18 +33588,11 @@ index = 2519, label = "C5H7-5 + C6H4-3 <=> C11H11-27", degeneracy = 1.0, - kinetics = Arrhenius( - A = (865, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (33.8486, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(865,'cm^3/(mol*s)'), n=2.41, Ea=(33.8486,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Cd;CsJ-CtCsCs """, ) @@ -50298,18 +33601,11 @@ index = 2520, label = "C6H4-3 + C2H3 <=> C8H7-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (22700, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (7.02912, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(22700,'cm^3/(mol*s)'), n=2.41, Ea=(7.02912,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Cd;CdsJ-H """, ) @@ -50318,18 +33614,11 @@ index = 2521, label = "C6H4-3 + C3H5 <=> C9H9-39", degeneracy = 1.0, - kinetics = Arrhenius( - A = (12100, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (6.15048, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(12100,'cm^3/(mol*s)'), n=2.41, Ea=(6.15048,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Cd;CdsJ-Cs """, ) @@ -50338,18 +33627,11 @@ index = 2522, label = "C6H4-3 + C6H5 <=> C12H9-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (35900, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-2.9288, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(35900,'cm^3/(mol*s)'), n=2.41, Ea=(-2.9288,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Cd;CbJ """, ) @@ -50358,18 +33640,11 @@ index = 2523, label = "C6H2 + CH3 <=> C7H5-3", degeneracy = 2.0, - kinetics = Arrhenius( - A = (882000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (20.7108, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(882000,'cm^3/(mol*s)'), n=2.41, Ea=(20.7108,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Ct;CsJ-HHH """, ) @@ -50378,18 +33653,11 @@ index = 2524, label = "C6H2 + C2H5 <=> C8H7-13", degeneracy = 2.0, - kinetics = Arrhenius( - A = (89600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (18.3259, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(89600,'cm^3/(mol*s)'), n=2.41, Ea=(18.3259,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Ct;CsJ-CsHH """, ) @@ -50398,18 +33666,11 @@ index = 2525, label = "C6H2 + C3H7-2 <=> C9H9-40", degeneracy = 2.0, - kinetics = Arrhenius( - A = (72000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (13.3051, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(72000,'cm^3/(mol*s)'), n=2.41, Ea=(13.3051,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Ct;CsJ-CsCsH """, ) @@ -50418,18 +33679,11 @@ index = 2526, label = "C6H2 + C4H9 <=> C10H11-63", degeneracy = 2.0, - kinetics = Arrhenius( - A = (53200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (7.40568, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(53200,'cm^3/(mol*s)'), n=2.41, Ea=(7.40568,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Ct;CsJ-CsCsCs """, ) @@ -50438,18 +33692,11 @@ index = 2527, label = "C6H2 + allyl <=> C9H7-4", degeneracy = 4.0, - kinetics = Arrhenius( - A = (1.864e+06, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (47.0282, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.864e+06,'cm^3/(mol*s)'), n=2.41, Ea=(47.0282,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Ct;CsJ-CdHH """, ) @@ -50458,18 +33705,11 @@ index = 2528, label = "C6H2 + C4H7-2 <=> C10H9-39", degeneracy = 2.0, - kinetics = Arrhenius( - A = (162400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (46.024, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(162400,'cm^3/(mol*s)'), n=2.41, Ea=(46.024,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Ct;CsJ-CdCsH """, ) @@ -50478,18 +33718,11 @@ index = 2529, label = "C6H2 + C5H9 <=> C11H11-28", degeneracy = 2.0, - kinetics = Arrhenius( - A = (21000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (41.9237, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(21000,'cm^3/(mol*s)'), n=2.41, Ea=(41.9237,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Ct;CsJ-CdCsCs """, ) @@ -50498,18 +33731,11 @@ index = 2530, label = "C6H2 + C5H7-3 <=> C11H9-6", degeneracy = 2.0, - kinetics = Arrhenius( - A = (328000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (66.0235, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(328000,'cm^3/(mol*s)'), n=2.41, Ea=(66.0235,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Ct;CsJ-CdCdH """, ) @@ -50518,18 +33744,11 @@ index = 2531, label = "C6H2 + C6H9-12 <=> C12H11-13", degeneracy = 2.0, - kinetics = Arrhenius( - A = (111800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (65.2704, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(111800,'cm^3/(mol*s)'), n=2.41, Ea=(65.2704,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Ct;CsJ-CdCdCs """, ) @@ -50538,18 +33757,11 @@ index = 2532, label = "C6H2 + C7H7-3 <=> C13H9", degeneracy = 2.0, - kinetics = Arrhenius( - A = (432000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (37.2794, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(432000,'cm^3/(mol*s)'), n=2.41, Ea=(37.2794,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Ct;CsJ-CbHH """, ) @@ -50558,18 +33770,11 @@ index = 2533, label = "C6H2 + C8H9 <=> C14H11", degeneracy = 2.0, - kinetics = Arrhenius( - A = (106200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (34.3925, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(106200,'cm^3/(mol*s)'), n=2.41, Ea=(34.3925,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Ct;CsJ-CbCsH """, ) @@ -50578,18 +33783,11 @@ index = 2534, label = "C6H2 + C9H11-15 <=> C15H13-2", degeneracy = 2.0, - kinetics = Arrhenius( - A = (17000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (32.1331, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(17000,'cm^3/(mol*s)'), n=2.41, Ea=(32.1331,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Ct;CsJ-CbCsCs """, ) @@ -50598,18 +33796,11 @@ index = 2535, label = "C6H2 + C3H3 <=> C9H5", degeneracy = 2.0, - kinetics = Arrhenius( - A = (400000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (36.2753, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(400000,'cm^3/(mol*s)'), n=2.41, Ea=(36.2753,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Ct;CsJ-CtHH """, ) @@ -50618,18 +33809,11 @@ index = 2536, label = "C4H5-12 + C6H2 <=> C10H7-10", degeneracy = 2.0, - kinetics = Arrhenius( - A = (90000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (34.3088, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(90000,'cm^3/(mol*s)'), n=2.41, Ea=(34.3088,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Ct;CsJ-CtCsH """, ) @@ -50638,18 +33822,11 @@ index = 2537, label = "C6H2 + C5H7-5 <=> C11H9-7", degeneracy = 2.0, - kinetics = Arrhenius( - A = (23000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (31.4637, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(23000,'cm^3/(mol*s)'), n=2.41, Ea=(31.4637,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Ct;CsJ-CtCsCs """, ) @@ -50658,18 +33835,11 @@ index = 2538, label = "C6H2 + C2H3 <=> C8H5-2", degeneracy = 2.0, - kinetics = Arrhenius( - A = (604000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (4.68608, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(604000,'cm^3/(mol*s)'), n=2.41, Ea=(4.68608,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Ct;CdsJ-H """, ) @@ -50678,18 +33848,11 @@ index = 2539, label = "C6H2 + C3H5 <=> C9H7-5", degeneracy = 2.0, - kinetics = Arrhenius( - A = (320000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (3.80744, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(320000,'cm^3/(mol*s)'), n=2.41, Ea=(3.80744,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Ct;CdsJ-Cs """, ) @@ -50698,18 +33861,11 @@ index = 2540, label = "C6H2 + C6H5 <=> C12H7", degeneracy = 2.0, - kinetics = Arrhenius( - A = (954000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-5.31368, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(954000,'cm^3/(mol*s)'), n=2.41, Ea=(-5.31368,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Ct;CbJ """, ) @@ -50718,18 +33874,11 @@ index = 2541, label = "H + C2H4 <=> C2H5-2", degeneracy = 2.0, - kinetics = Arrhenius( - A = (4.62e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (4.22584, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4.62e+08,'cm^3/(mol*s)'), n=1.64, Ea=(4.22584,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-HH;HJ """, ) @@ -50738,18 +33887,11 @@ index = 2542, label = "H + propene_1 <=> C3H7-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2.48e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (2.13384, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2.48e+08,'cm^3/(mol*s)'), n=1.64, Ea=(2.13384,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CsH;HJ """, ) @@ -50758,18 +33900,11 @@ index = 2543, label = "H + C4H8 <=> C4H9-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2.88e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (-0.04184, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2.88e+08,'cm^3/(mol*s)'), n=1.64, Ea=(-0.04184,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CsCs;HJ """, ) @@ -50778,18 +33913,11 @@ index = 2544, label = "H + C4H6 <=> C4H7-9", degeneracy = 2.0, - kinetics = Arrhenius( - A = (4.62e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (-1.96648, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4.62e+08,'cm^3/(mol*s)'), n=1.64, Ea=(-1.96648,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdH;HJ """, ) @@ -50798,18 +33926,11 @@ index = 2545, label = "H + C5H8 <=> C5H9-15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2.58e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (-3.01248, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2.58e+08,'cm^3/(mol*s)'), n=1.64, Ea=(-3.01248,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdCs;HJ """, ) @@ -50818,18 +33939,11 @@ index = 2546, label = "H + C6H8-7 <=> C6H9-37", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2.48e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (-5.8576, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2.48e+08,'cm^3/(mol*s)'), n=1.64, Ea=(-5.8576,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdCd;HJ """, ) @@ -50838,18 +33952,11 @@ index = 2547, label = "H + C4H4 <=> C4H5-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2.23e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (-0.8368, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2.23e+08,'cm^3/(mol*s)'), n=1.64, Ea=(-0.8368,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CtH;HJ """, ) @@ -50858,18 +33965,11 @@ index = 2548, label = "H + C5H6-3 <=> C5H7-15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2.56e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (-1.92464, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2.56e+08,'cm^3/(mol*s)'), n=1.64, Ea=(-1.92464,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CtCs;HJ """, ) @@ -50878,18 +33978,11 @@ index = 2549, label = "H + C6H6-10 <=> C6H7-20", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7.57e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (-5.39736, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7.57e+07,'cm^3/(mol*s)'), n=1.64, Ea=(-5.39736,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdCt;HJ """, ) @@ -50898,18 +33991,11 @@ index = 2550, label = "H + C6H4-4 <=> C6H5-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2.25e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (-2.80328, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2.25e+08,'cm^3/(mol*s)'), n=1.64, Ea=(-2.80328,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CtCt;HJ """, ) @@ -50918,18 +34004,11 @@ index = 2551, label = "H + C8H8 <=> C8H9-31", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (6.4852, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6e+07,'cm^3/(mol*s)'), n=1.64, Ea=(6.4852,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CbH;HJ """, ) @@ -50938,18 +34017,11 @@ index = 2552, label = "H + C9H10-10 <=> C9H11-65", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.77e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (4.3932, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.77e+08,'cm^3/(mol*s)'), n=1.64, Ea=(4.3932,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CbCs;HJ """, ) @@ -50958,18 +34030,11 @@ index = 2553, label = "H + C3H4-3 <=> C3H5-3", degeneracy = 2.0, - kinetics = Arrhenius( - A = (4.18e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (4.89528, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4.18e+08,'cm^3/(mol*s)'), n=1.64, Ea=(4.89528,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Ca;HJ """, ) @@ -50978,18 +34043,11 @@ index = 2554, label = "H + propene_2 <=> C3H7-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.36e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (7.78224, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.36e+08,'cm^3/(mol*s)'), n=1.64, Ea=(7.78224,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-HH;HJ """, ) @@ -50998,18 +34056,11 @@ index = 2555, label = "H + butene2 <=> C4H9-6", degeneracy = 2.0, - kinetics = Arrhenius( - A = (2.92e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (5.73208, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2.92e+08,'cm^3/(mol*s)'), n=1.64, Ea=(5.73208,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CsH;HJ """, ) @@ -51018,18 +34069,11 @@ index = 2556, label = "H + C5H10 <=> C5H11-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.69e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (3.5564, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.69e+08,'cm^3/(mol*s)'), n=1.64, Ea=(3.5564,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CsCs;HJ """, ) @@ -51038,18 +34082,11 @@ index = 2557, label = "H + C5H8-2 <=> C5H9-16", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.35e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (1.58992, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.35e+08,'cm^3/(mol*s)'), n=1.64, Ea=(1.58992,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CdH;HJ """, ) @@ -51058,18 +34095,11 @@ index = 2558, label = "H + C6H10 <=> C6H11-23", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.52e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (0.58576, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.52e+08,'cm^3/(mol*s)'), n=1.64, Ea=(0.58576,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CdCs;HJ """, ) @@ -51078,18 +34108,11 @@ index = 2559, label = "H + C7H10-3 <=> C7H11-53", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.46e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (-2.25936, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.46e+08,'cm^3/(mol*s)'), n=1.64, Ea=(-2.25936,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CdCd;HJ """, ) @@ -51098,18 +34121,11 @@ index = 2560, label = "H + C5H6-4 <=> C5H7-16", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.31e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (2.76144, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.31e+08,'cm^3/(mol*s)'), n=1.64, Ea=(2.76144,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CtH;HJ """, ) @@ -51118,18 +34134,11 @@ index = 2561, label = "H + C6H8-8 <=> C6H9-38", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.5e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (1.6736, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.5e+08,'cm^3/(mol*s)'), n=1.64, Ea=(1.6736,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CtCs;HJ """, ) @@ -51138,18 +34147,11 @@ index = 2562, label = "H + C7H8-21 <=> C7H9-65", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4.44e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (-1.79912, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4.44e+07,'cm^3/(mol*s)'), n=1.64, Ea=(-1.79912,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CdCt;HJ """, ) @@ -51158,18 +34160,11 @@ index = 2563, label = "H + C7H6-6 <=> C7H7-20", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.32e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (0.79496, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.32e+08,'cm^3/(mol*s)'), n=1.64, Ea=(0.79496,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CtCt;HJ """, ) @@ -51178,18 +34173,11 @@ index = 2564, label = "H + C9H10-7 <=> C9H11-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3.52e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (10.0834, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3.52e+07,'cm^3/(mol*s)'), n=1.64, Ea=(10.0834,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CbH;HJ """, ) @@ -51198,18 +34186,11 @@ index = 2565, label = "H + C10H12 <=> C10H13-76", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.04e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (7.99144, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.04e+08,'cm^3/(mol*s)'), n=1.64, Ea=(7.99144,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CbCs;HJ """, ) @@ -51218,18 +34199,11 @@ index = 2566, label = "H + C4H6-3 <=> C4H7-10", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.23e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (8.49352, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.23e+08,'cm^3/(mol*s)'), n=1.64, Ea=(8.49352,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Ca;HJ """, ) @@ -51238,18 +34212,11 @@ index = 2567, label = "H + C4H8-2 <=> C4H9-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7.2e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (11.1294, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7.2e+07,'cm^3/(mol*s)'), n=1.64, Ea=(11.1294,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-HH;HJ """, ) @@ -51258,18 +34225,11 @@ index = 2568, label = "H + C5H10-2 <=> C5H11-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7.72e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (9.07928, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7.72e+07,'cm^3/(mol*s)'), n=1.64, Ea=(9.07928,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CsH;HJ """, ) @@ -51278,18 +34238,11 @@ index = 2569, label = "H + C6H12 <=> C6H13-9", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1.792e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (6.9036, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.792e+08,'cm^3/(mol*s)'), n=1.64, Ea=(6.9036,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CsCs;HJ """, ) @@ -51298,18 +34251,11 @@ index = 2570, label = "H + C6H10-2 <=> C6H11-24", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7.17e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (4.93712, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7.17e+07,'cm^3/(mol*s)'), n=1.64, Ea=(4.93712,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdH;HJ """, ) @@ -51318,18 +34264,11 @@ index = 2571, label = "H + C7H12 <=> C7H13-31", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8.03e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (3.93296, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8.03e+07,'cm^3/(mol*s)'), n=1.64, Ea=(3.93296,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdCs;HJ """, ) @@ -51338,18 +34277,11 @@ index = 2572, label = "H + C8H12 <=> C8H13-61", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7.71e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (1.046, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7.71e+07,'cm^3/(mol*s)'), n=1.64, Ea=(1.046,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdCd;HJ """, ) @@ -51358,18 +34290,11 @@ index = 2573, label = "H + C6H8-9 <=> C6H9-39", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6.92e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (6.10864, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6.92e+07,'cm^3/(mol*s)'), n=1.64, Ea=(6.10864,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CtH;HJ """, ) @@ -51378,18 +34303,11 @@ index = 2574, label = "H + C7H10-4 <=> C7H11-54", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7.96e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (5.0208, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7.96e+07,'cm^3/(mol*s)'), n=1.64, Ea=(5.0208,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CtCs;HJ """, ) @@ -51398,18 +34316,11 @@ index = 2575, label = "H + C8H10-5 <=> C8H11-61", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2.35e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (1.54808, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2.35e+07,'cm^3/(mol*s)'), n=1.64, Ea=(1.54808,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdCt;HJ """, ) @@ -51418,18 +34329,11 @@ index = 2576, label = "H + C8H8-7 <=> C8H9-32", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6.98e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (4.14216, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6.98e+07,'cm^3/(mol*s)'), n=1.64, Ea=(4.14216,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CtCt;HJ """, ) @@ -51438,18 +34342,11 @@ index = 2577, label = "H + C10H12-2 <=> C10H13-77", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.87e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (13.3888, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.87e+07,'cm^3/(mol*s)'), n=1.64, Ea=(13.3888,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CbH;HJ """, ) @@ -51458,18 +34355,11 @@ index = 2578, label = "H + C11H14 <=> C11H15-78", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5.5e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (11.2968, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5.5e+07,'cm^3/(mol*s)'), n=1.64, Ea=(11.2968,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CbCs;HJ """, ) @@ -51478,18 +34368,11 @@ index = 2579, label = "H + C5H8-3 <=> C5H9-17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6.51e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (11.8407, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6.51e+07,'cm^3/(mol*s)'), n=1.64, Ea=(11.8407,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Ca;HJ """, ) @@ -51498,18 +34381,11 @@ index = 2580, label = "H + C4H6-2 <=> C4H7-11", degeneracy = 2.0, - kinetics = Arrhenius( - A = (3.24e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (10.0416, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3.24e+08,'cm^3/(mol*s)'), n=1.64, Ea=(10.0416,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-HH;HJ """, ) @@ -51518,18 +34394,11 @@ index = 2581, label = "H + C5H8-4 <=> C5H9-18", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.74e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (7.99144, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.74e+08,'cm^3/(mol*s)'), n=1.64, Ea=(7.99144,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CsH;HJ """, ) @@ -51538,18 +34407,11 @@ index = 2582, label = "H + C6H10-3 <=> C6H11-25", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2.02e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (5.81576, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2.02e+08,'cm^3/(mol*s)'), n=1.64, Ea=(5.81576,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CsCs;HJ """, ) @@ -51558,18 +34420,11 @@ index = 2583, label = "H + C6H8-3 <=> C6H9-7", degeneracy = 2.0, - kinetics = Arrhenius( - A = (3.24e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (3.84928, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3.24e+08,'cm^3/(mol*s)'), n=1.64, Ea=(3.84928,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdH;HJ """, ) @@ -51578,18 +34433,11 @@ index = 2584, label = "H + C7H10-5 <=> C7H11-55", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.81e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (2.80328, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.81e+08,'cm^3/(mol*s)'), n=1.64, Ea=(2.80328,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdCs;HJ """, ) @@ -51598,18 +34446,11 @@ index = 2585, label = "H + C8H10 <=> C8H11-62", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.74e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (-0.04184, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.74e+08,'cm^3/(mol*s)'), n=1.64, Ea=(-0.04184,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdCd;HJ """, ) @@ -51618,18 +34459,11 @@ index = 2586, label = "H + C6H6-6 <=> C6H7-21", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.56e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (4.97896, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.56e+08,'cm^3/(mol*s)'), n=1.64, Ea=(4.97896,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CtH;HJ """, ) @@ -51638,18 +34472,11 @@ index = 2587, label = "H + C7H8-16 <=> C7H9-66", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.79e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (3.89112, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.79e+08,'cm^3/(mol*s)'), n=1.64, Ea=(3.89112,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CtCs;HJ """, ) @@ -51658,18 +34485,11 @@ index = 2588, label = "H + C8H8-8 <=> C8H9-33", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5.31e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (0.4184, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5.31e+07,'cm^3/(mol*s)'), n=1.64, Ea=(0.4184,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdCt;HJ """, ) @@ -51678,18 +34498,11 @@ index = 2589, label = "H + C8H6-3 <=> C8H7-14", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.57e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (3.01248, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.57e+08,'cm^3/(mol*s)'), n=1.64, Ea=(3.01248,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CtCt;HJ """, ) @@ -51698,18 +34511,11 @@ index = 2590, label = "H + C10H10-15 <=> C10H11-64", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4.2e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (12.301, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4.2e+07,'cm^3/(mol*s)'), n=1.64, Ea=(12.301,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CbH;HJ """, ) @@ -51718,18 +34524,11 @@ index = 2591, label = "H + C11H12 <=> C11H13-62", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.24e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (10.209, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.24e+08,'cm^3/(mol*s)'), n=1.64, Ea=(10.209,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CbCs;HJ """, ) @@ -51738,18 +34537,11 @@ index = 2592, label = "H + C5H6-5 <=> C5H7-17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.47e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (10.711, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.47e+08,'cm^3/(mol*s)'), n=1.64, Ea=(10.711,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Ca;HJ """, ) @@ -51758,18 +34550,11 @@ index = 2593, label = "H + C5H8-5 <=> C5H9-19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.04e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (13.1796, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.04e+08,'cm^3/(mol*s)'), n=1.64, Ea=(13.1796,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-HH;HJ """, ) @@ -51778,18 +34563,11 @@ index = 2594, label = "H + C6H10-4 <=> C6H11-26", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.11e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (11.1294, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.11e+08,'cm^3/(mol*s)'), n=1.64, Ea=(11.1294,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CsH;HJ """, ) @@ -51798,18 +34576,11 @@ index = 2595, label = "H + C7H12-2 <=> C7H13-32", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.29e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (8.95376, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.29e+08,'cm^3/(mol*s)'), n=1.64, Ea=(8.95376,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CsCs;HJ """, ) @@ -51818,18 +34589,11 @@ index = 2596, label = "H + C7H10-6 <=> C7H11-56", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.03e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (6.98728, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.03e+08,'cm^3/(mol*s)'), n=1.64, Ea=(6.98728,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdH;HJ """, ) @@ -51838,18 +34602,11 @@ index = 2597, label = "H + C8H12-2 <=> C8H13-62", degeneracy = 2.0, - kinetics = Arrhenius( - A = (2.32e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (5.98312, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2.32e+08,'cm^3/(mol*s)'), n=1.64, Ea=(5.98312,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdCs;HJ """, ) @@ -51858,18 +34615,11 @@ index = 2598, label = "H + C9H12 <=> C9H13-74", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.11e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (3.138, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.11e+08,'cm^3/(mol*s)'), n=1.64, Ea=(3.138,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdCd;HJ """, ) @@ -51878,18 +34628,11 @@ index = 2599, label = "H + C7H8-17 <=> C7H9-67", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9.97e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (8.1588, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9.97e+07,'cm^3/(mol*s)'), n=1.64, Ea=(8.1588,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CtH;HJ """, ) @@ -51898,18 +34641,11 @@ index = 2600, label = "H + C8H10-2 <=> C8H11-63", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.15e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (7.07096, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.15e+08,'cm^3/(mol*s)'), n=1.64, Ea=(7.07096,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CtCs;HJ """, ) @@ -51918,18 +34654,11 @@ index = 2601, label = "H + C9H10-13 <=> C9H11-66", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3.39e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (3.59824, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3.39e+07,'cm^3/(mol*s)'), n=1.64, Ea=(3.59824,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdCt;HJ """, ) @@ -51938,18 +34667,11 @@ index = 2602, label = "H + C9H8-15 <=> C9H9-41", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.01e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (6.19232, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.01e+08,'cm^3/(mol*s)'), n=1.64, Ea=(6.19232,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CtCt;HJ """, ) @@ -51958,18 +34680,11 @@ index = 2603, label = "H + C11H12-2 <=> C11H13-63", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2.69e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (15.4808, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2.69e+07,'cm^3/(mol*s)'), n=1.64, Ea=(15.4808,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CbH;HJ """, ) @@ -51978,18 +34693,11 @@ index = 2604, label = "H + C12H14 <=> C12H15-72", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7.92e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (13.3888, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7.92e+07,'cm^3/(mol*s)'), n=1.64, Ea=(13.3888,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CbCs;HJ """, ) @@ -51998,18 +34706,11 @@ index = 2605, label = "H + C6H8-10 <=> C6H9-40", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9.38e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (13.8909, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9.38e+07,'cm^3/(mol*s)'), n=1.64, Ea=(13.8909,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Ca;HJ """, ) @@ -52018,18 +34719,11 @@ index = 2606, label = "H + C6H8-11 <=> C6H9-41", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.35e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (15.8155, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.35e+08,'cm^3/(mol*s)'), n=1.64, Ea=(15.8155,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-HH;HJ """, ) @@ -52038,18 +34732,11 @@ index = 2607, label = "H + C7H10-7 <=> C7H11-57", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.45e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (13.7654, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.45e+08,'cm^3/(mol*s)'), n=1.64, Ea=(13.7654,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CsH;HJ """, ) @@ -52058,18 +34745,11 @@ index = 2608, label = "H + C8H12-3 <=> C8H13-63", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.68e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (11.5897, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.68e+08,'cm^3/(mol*s)'), n=1.64, Ea=(11.5897,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CsCs;HJ """, ) @@ -52078,18 +34758,11 @@ index = 2609, label = "H + C8H10-3 <=> C8H11-64", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.34e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (9.6232, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.34e+08,'cm^3/(mol*s)'), n=1.64, Ea=(9.6232,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdH;HJ """, ) @@ -52098,18 +34771,11 @@ index = 2610, label = "H + C9H12-2 <=> C9H13-75", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.51e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (8.61904, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.51e+08,'cm^3/(mol*s)'), n=1.64, Ea=(8.61904,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdCs;HJ """, ) @@ -52118,18 +34784,11 @@ index = 2611, label = "H + C10H12-3 <=> C10H13-78", degeneracy = 2.0, - kinetics = Arrhenius( - A = (2.9e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (5.77392, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2.9e+08,'cm^3/(mol*s)'), n=1.64, Ea=(5.77392,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdCd;HJ """, ) @@ -52138,18 +34797,11 @@ index = 2612, label = "H + C8H8-4 <=> C8H9-34", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.3e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (10.7947, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.3e+08,'cm^3/(mol*s)'), n=1.64, Ea=(10.7947,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CtH;HJ """, ) @@ -52158,18 +34810,11 @@ index = 2613, label = "H + C9H10-11 <=> C9H11-67", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.49e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (9.70688, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.49e+08,'cm^3/(mol*s)'), n=1.64, Ea=(9.70688,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CtCs;HJ """, ) @@ -52178,18 +34823,11 @@ index = 2614, label = "H + C10H10-18 <=> C10H11-65", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4.41e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (6.23416, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4.41e+07,'cm^3/(mol*s)'), n=1.64, Ea=(6.23416,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdCt;HJ """, ) @@ -52198,18 +34836,11 @@ index = 2615, label = "H + C10H8-27 <=> C10H9-40", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.31e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (8.82824, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.31e+08,'cm^3/(mol*s)'), n=1.64, Ea=(8.82824,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CtCt;HJ """, ) @@ -52218,18 +34849,11 @@ index = 2616, label = "H + C12H12 <=> C12H13-49", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3.5e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (18.1167, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3.5e+07,'cm^3/(mol*s)'), n=1.64, Ea=(18.1167,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CbH;HJ """, ) @@ -52238,18 +34862,11 @@ index = 2617, label = "H + C13H14 <=> C13H15-70", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.03e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (16.0247, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.03e+08,'cm^3/(mol*s)'), n=1.64, Ea=(16.0247,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CbCs;HJ """, ) @@ -52258,18 +34875,11 @@ index = 2618, label = "H + C7H8-18 <=> C7H9-68", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.22e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (16.5268, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.22e+08,'cm^3/(mol*s)'), n=1.64, Ea=(16.5268,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Ca;HJ """, ) @@ -52278,18 +34888,11 @@ index = 2619, label = "H + C4H4-4 <=> C4H5-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.49e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (10.9202, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.49e+08,'cm^3/(mol*s)'), n=1.64, Ea=(10.9202,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-HH;HJ """, ) @@ -52298,18 +34901,11 @@ index = 2620, label = "H + C5H6-6 <=> C5H7-18", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.6e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (8.87008, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.6e+08,'cm^3/(mol*s)'), n=1.64, Ea=(8.87008,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CsH;HJ """, ) @@ -52318,18 +34914,11 @@ index = 2621, label = "H + C6H8-12 <=> C6H9-42", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.85e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (6.6944, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.85e+08,'cm^3/(mol*s)'), n=1.64, Ea=(6.6944,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CsCs;HJ """, ) @@ -52338,18 +34927,11 @@ index = 2622, label = "H + C6H6-7 <=> C6H7-22", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.48e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (4.72792, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.48e+08,'cm^3/(mol*s)'), n=1.64, Ea=(4.72792,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdH;HJ """, ) @@ -52358,18 +34940,11 @@ index = 2623, label = "H + C7H8-19 <=> C7H9-69", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.66e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (3.72376, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.66e+08,'cm^3/(mol*s)'), n=1.64, Ea=(3.72376,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdCs;HJ """, ) @@ -52378,18 +34953,11 @@ index = 2624, label = "H + C8H8-5 <=> C8H9-35", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.59e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (0.87864, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.59e+08,'cm^3/(mol*s)'), n=1.64, Ea=(0.87864,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdCd;HJ """, ) @@ -52398,18 +34966,11 @@ index = 2625, label = "H + C6H4 <=> C6H5-5", degeneracy = 2.0, - kinetics = Arrhenius( - A = (2.86e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (5.89944, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2.86e+08,'cm^3/(mol*s)'), n=1.64, Ea=(5.89944,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CtH;HJ """, ) @@ -52418,18 +34979,11 @@ index = 2626, label = "H + C7H6-4 <=> C7H7-21", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.65e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (4.8116, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.65e+08,'cm^3/(mol*s)'), n=1.64, Ea=(4.8116,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CtCs;HJ """, ) @@ -52438,18 +34992,11 @@ index = 2627, label = "H + C8H6-4 <=> C8H7-15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4.87e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (1.33888, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4.87e+07,'cm^3/(mol*s)'), n=1.64, Ea=(1.33888,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdCt;HJ """, ) @@ -52458,18 +35005,11 @@ index = 2628, label = "H + C8H4 <=> C8H5-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.44e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (3.93296, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.44e+08,'cm^3/(mol*s)'), n=1.64, Ea=(3.93296,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CtCt;HJ """, ) @@ -52478,18 +35018,11 @@ index = 2629, label = "H + C10H8-7 <=> C10H9-10", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3.86e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (13.2214, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3.86e+07,'cm^3/(mol*s)'), n=1.64, Ea=(13.2214,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CbH;HJ """, ) @@ -52498,18 +35031,11 @@ index = 2630, label = "H + C11H10-3 <=> C11H11-29", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.14e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (11.1294, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.14e+08,'cm^3/(mol*s)'), n=1.64, Ea=(11.1294,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CbCs;HJ """, ) @@ -52518,18 +35044,11 @@ index = 2631, label = "H + C5H4 <=> C5H5-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.35e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (11.6315, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.35e+08,'cm^3/(mol*s)'), n=1.64, Ea=(11.6315,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Ca;HJ """, ) @@ -52538,18 +35057,11 @@ index = 2632, label = "H + C5H6-7 <=> C5H7-19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9.17e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (15.6063, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9.17e+07,'cm^3/(mol*s)'), n=1.64, Ea=(15.6063,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-HH;HJ """, ) @@ -52558,18 +35070,11 @@ index = 2633, label = "H + C6H8-13 <=> C6H9-43", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9.84e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (13.5562, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9.84e+07,'cm^3/(mol*s)'), n=1.64, Ea=(13.5562,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CsH;HJ """, ) @@ -52578,18 +35083,11 @@ index = 2634, label = "H + C7H10-8 <=> C7H11-58", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.14e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (11.3805, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.14e+08,'cm^3/(mol*s)'), n=1.64, Ea=(11.3805,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CsCs;HJ """, ) @@ -52598,18 +35096,11 @@ index = 2635, label = "H + C7H8-20 <=> C7H9-70", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9.13e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (9.414, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9.13e+07,'cm^3/(mol*s)'), n=1.64, Ea=(9.414,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdH;HJ """, ) @@ -52618,18 +35109,11 @@ index = 2636, label = "H + C8H10-4 <=> C8H11-65", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.02e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (8.368, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.02e+08,'cm^3/(mol*s)'), n=1.64, Ea=(8.368,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdCs;HJ """, ) @@ -52638,18 +35122,11 @@ index = 2637, label = "H + C9H10-12 <=> C9H11-68", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9.83e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (5.52288, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9.83e+07,'cm^3/(mol*s)'), n=1.64, Ea=(5.52288,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdCd;HJ """, ) @@ -52658,18 +35135,11 @@ index = 2638, label = "H + C7H6-5 <=> C7H7-22", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8.83e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (10.5437, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8.83e+07,'cm^3/(mol*s)'), n=1.64, Ea=(10.5437,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CtH;HJ """, ) @@ -52678,18 +35148,11 @@ index = 2639, label = "H + C8H8-6 <=> C8H9-36", degeneracy = 2.0, - kinetics = Arrhenius( - A = (2.02e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (9.45584, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2.02e+08,'cm^3/(mol*s)'), n=1.64, Ea=(9.45584,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CtCs;HJ """, ) @@ -52698,18 +35161,11 @@ index = 2640, label = "H + C9H8-16 <=> C9H9-42", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (5.98312, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3e+07,'cm^3/(mol*s)'), n=1.64, Ea=(5.98312,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdCt;HJ """, ) @@ -52718,18 +35174,11 @@ index = 2641, label = "H + C9H6 <=> C9H7-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8.9e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (8.5772, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8.9e+07,'cm^3/(mol*s)'), n=1.64, Ea=(8.5772,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CtCt;HJ """, ) @@ -52738,18 +35187,11 @@ index = 2642, label = "H + C11H10-4 <=> C11H11-30", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2.38e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (17.8657, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2.38e+07,'cm^3/(mol*s)'), n=1.64, Ea=(17.8657,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CbH;HJ """, ) @@ -52758,18 +35200,11 @@ index = 2643, label = "H + C12H12-4 <=> C12H13-50", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7.01e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (15.7737, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7.01e+07,'cm^3/(mol*s)'), n=1.64, Ea=(15.7737,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CbCs;HJ """, ) @@ -52778,18 +35213,11 @@ index = 2644, label = "H + C6H6-8 <=> C6H7-23", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8.3e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (16.2758, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8.3e+07,'cm^3/(mol*s)'), n=1.64, Ea=(16.2758,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Ca;HJ """, ) @@ -52798,18 +35226,11 @@ index = 2645, label = "H + C6H6-11 <=> C6H7-24", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.36e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (17.9912, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.36e+08,'cm^3/(mol*s)'), n=1.64, Ea=(17.9912,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCt_Cds-HH;HJ """, ) @@ -52818,18 +35239,11 @@ index = 2646, label = "H + C7H8-22 <=> C7H9-71", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.45e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (15.941, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.45e+08,'cm^3/(mol*s)'), n=1.64, Ea=(15.941,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCt_Cds-CsH;HJ """, ) @@ -52838,18 +35252,11 @@ index = 2647, label = "H + C8H10-6 <=> C8H11-66", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.69e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (13.7654, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.69e+08,'cm^3/(mol*s)'), n=1.64, Ea=(13.7654,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCt_Cds-CsCs;HJ """, ) @@ -52858,18 +35265,11 @@ index = 2648, label = "H + C8H8-9 <=> C8H9-37", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.35e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (11.7989, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.35e+08,'cm^3/(mol*s)'), n=1.64, Ea=(11.7989,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCt_Cds-CdH;HJ """, ) @@ -52878,18 +35278,11 @@ index = 2649, label = "H + C9H10-14 <=> C9H11-69", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.51e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (10.7947, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.51e+08,'cm^3/(mol*s)'), n=1.64, Ea=(10.7947,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCt_Cds-CdCs;HJ """, ) @@ -52898,18 +35291,11 @@ index = 2650, label = "H + C10H10-19 <=> C10H11-66", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.45e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (7.90776, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.45e+08,'cm^3/(mol*s)'), n=1.64, Ea=(7.90776,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCt_Cds-CdCd;HJ """, ) @@ -52918,18 +35304,11 @@ index = 2651, label = "H + C8H6-5 <=> C8H7-16", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.3e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (12.9704, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.3e+08,'cm^3/(mol*s)'), n=1.64, Ea=(12.9704,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCt_Cds-CtH;HJ """, ) @@ -52938,18 +35317,11 @@ index = 2652, label = "H + C9H8-17 <=> C9H9-43", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.5e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (11.8826, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.5e+08,'cm^3/(mol*s)'), n=1.64, Ea=(11.8826,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCt_Cds-CtCs;HJ """, ) @@ -52958,18 +35330,11 @@ index = 2653, label = "H + C10H8-28 <=> C10H9-41", degeneracy = 2.0, - kinetics = Arrhenius( - A = (8.86e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (8.40984, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8.86e+07,'cm^3/(mol*s)'), n=1.64, Ea=(8.40984,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCt_Cds-CdCt;HJ """, ) @@ -52978,18 +35343,11 @@ index = 2654, label = "H + C10H6-7 <=> C10H7-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.32e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (11.0039, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.32e+08,'cm^3/(mol*s)'), n=1.64, Ea=(11.0039,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCt_Cds-CtCt;HJ """, ) @@ -52998,18 +35356,11 @@ index = 2655, label = "H + C12H10 <=> C12H11-14", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3.51e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (20.2924, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3.51e+07,'cm^3/(mol*s)'), n=1.64, Ea=(20.2924,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCt_Cds-CbH;HJ """, ) @@ -53018,18 +35369,11 @@ index = 2656, label = "H + C13H12 <=> C13H13-27", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.04e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (18.1586, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.04e+08,'cm^3/(mol*s)'), n=1.64, Ea=(18.1586,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCt_Cds-CbCs;HJ """, ) @@ -53038,18 +35382,11 @@ index = 2657, label = "H + C7H6-7 <=> C7H7-23", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.23e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (18.7025, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.23e+08,'cm^3/(mol*s)'), n=1.64, Ea=(18.7025,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCt_Ca;HJ """, ) @@ -53058,18 +35395,11 @@ index = 2658, label = "H + C6H4-5 <=> C6H5-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.27e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (20.5016, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.27e+08,'cm^3/(mol*s)'), n=1.64, Ea=(20.5016,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCt_Cds-HH;HJ """, ) @@ -53078,18 +35408,11 @@ index = 2659, label = "H + C7H6-8 <=> C7H7-24", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.36e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (18.4514, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.36e+08,'cm^3/(mol*s)'), n=1.64, Ea=(18.4514,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCt_Cds-CsH;HJ """, ) @@ -53098,18 +35421,11 @@ index = 2660, label = "H + C8H8-10 <=> C8H9-38", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.58e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (16.2758, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.58e+08,'cm^3/(mol*s)'), n=1.64, Ea=(16.2758,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCt_Cds-CsCs;HJ """, ) @@ -53118,18 +35434,11 @@ index = 2661, label = "H + C8H6-6 <=> C8H7-17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.26e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (14.3093, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.26e+08,'cm^3/(mol*s)'), n=1.64, Ea=(14.3093,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCt_Cds-CdH;HJ """, ) @@ -53138,18 +35447,11 @@ index = 2662, label = "H + C9H8-18 <=> C9H9-44", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.41e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (13.3051, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.41e+08,'cm^3/(mol*s)'), n=1.64, Ea=(13.3051,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCt_Cds-CdCs;HJ """, ) @@ -53158,18 +35460,11 @@ index = 2663, label = "H + C10H8-29 <=> C10H9-42", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.36e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (10.4182, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.36e+08,'cm^3/(mol*s)'), n=1.64, Ea=(10.4182,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCt_Cds-CdCd;HJ """, ) @@ -53178,18 +35473,11 @@ index = 2664, label = "H + C8H4-2 <=> C8H5-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.22e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (15.439, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.22e+08,'cm^3/(mol*s)'), n=1.64, Ea=(15.439,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCt_Cds-CtH;HJ """, ) @@ -53198,18 +35486,11 @@ index = 2665, label = "H + C9H6-2 <=> C9H7-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.4e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (14.393, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.4e+08,'cm^3/(mol*s)'), n=1.64, Ea=(14.393,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCt_Cds-CtCs;HJ """, ) @@ -53218,18 +35499,11 @@ index = 2666, label = "H + C10H6-8 <=> C10H7-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4.14e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (10.9202, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4.14e+07,'cm^3/(mol*s)'), n=1.64, Ea=(10.9202,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCt_Cds-CdCt;HJ """, ) @@ -53238,18 +35512,11 @@ index = 2667, label = "H + C10H4 <=> C10H5", degeneracy = 2.0, - kinetics = Arrhenius( - A = (2.46e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (13.5143, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2.46e+08,'cm^3/(mol*s)'), n=1.64, Ea=(13.5143,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCt_Cds-CtCt;HJ """, ) @@ -53258,18 +35525,11 @@ index = 2668, label = "H + C12H8 <=> C12H9-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3.28e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (22.761, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3.28e+07,'cm^3/(mol*s)'), n=1.64, Ea=(22.761,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCt_Cds-CbH;HJ """, ) @@ -53278,18 +35538,11 @@ index = 2669, label = "H + C13H10 <=> C13H11-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9.68e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (20.669, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9.68e+07,'cm^3/(mol*s)'), n=1.64, Ea=(20.669,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCt_Cds-CbCs;HJ """, ) @@ -53298,18 +35551,11 @@ index = 2670, label = "H + C7H4 <=> C7H5-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.15e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (21.171, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.15e+08,'cm^3/(mol*s)'), n=1.64, Ea=(21.171,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCt_Ca;HJ """, ) @@ -53318,18 +35564,11 @@ index = 2671, label = "H + C8H8-2 <=> C8H9-39", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4.7e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (18.9535, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4.7e+07,'cm^3/(mol*s)'), n=1.64, Ea=(18.9535,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-HH;HJ """, ) @@ -53338,18 +35577,11 @@ index = 2672, label = "H + C9H10-2 <=> C9H11-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5.04e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (16.8615, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5.04e+07,'cm^3/(mol*s)'), n=1.64, Ea=(16.8615,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CsH;HJ """, ) @@ -53358,18 +35590,11 @@ index = 2673, label = "H + C10H12-4 <=> C10H13-79", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5.85e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (14.6858, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5.85e+07,'cm^3/(mol*s)'), n=1.64, Ea=(14.6858,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CsCs;HJ """, ) @@ -53378,18 +35603,11 @@ index = 2674, label = "H + C10H10-14 <=> C10H11-24", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4.68e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (12.7612, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4.68e+07,'cm^3/(mol*s)'), n=1.64, Ea=(12.7612,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdH;HJ """, ) @@ -53398,18 +35616,11 @@ index = 2675, label = "H + C11H12-3 <=> C11H13-64", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5.24e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (11.7152, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5.24e+07,'cm^3/(mol*s)'), n=1.64, Ea=(11.7152,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdCs;HJ """, ) @@ -53418,18 +35629,11 @@ index = 2676, label = "H + C12H12-2 <=> C12H13-51", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5.03e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (8.87008, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5.03e+07,'cm^3/(mol*s)'), n=1.64, Ea=(8.87008,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdCd;HJ """, ) @@ -53438,18 +35642,11 @@ index = 2677, label = "H + C10H8-5 <=> C10H9-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4.52e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (13.8909, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4.52e+07,'cm^3/(mol*s)'), n=1.64, Ea=(13.8909,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CtH;HJ """, ) @@ -53458,18 +35655,11 @@ index = 2678, label = "H + C11H10 <=> C11H11-31", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5.19e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (12.803, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5.19e+07,'cm^3/(mol*s)'), n=1.64, Ea=(12.803,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CtCs;HJ """, ) @@ -53478,18 +35668,11 @@ index = 2679, label = "H + C12H10-2 <=> C12H11-15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.54e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (9.33032, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.54e+07,'cm^3/(mol*s)'), n=1.64, Ea=(9.33032,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdCt;HJ """, ) @@ -53498,18 +35681,11 @@ index = 2680, label = "H + C12H8-2 <=> C12H9-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4.56e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (11.9244, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4.56e+07,'cm^3/(mol*s)'), n=1.64, Ea=(11.9244,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CtCt;HJ """, ) @@ -53518,18 +35694,11 @@ index = 2681, label = "H + C14H12 <=> C14H13-17", degeneracy = 2.0, - kinetics = Arrhenius( - A = (2.44e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (21.2129, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2.44e+07,'cm^3/(mol*s)'), n=1.64, Ea=(21.2129,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CbH;HJ """, ) @@ -53538,18 +35707,11 @@ index = 2682, label = "H + C15H14 <=> C15H15-30", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3.59e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (19.1209, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3.59e+07,'cm^3/(mol*s)'), n=1.64, Ea=(19.1209,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CbCs;HJ """, ) @@ -53558,18 +35720,11 @@ index = 2683, label = "H + C9H8-12 <=> C9H9-14", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4.25e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (19.623, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4.25e+07,'cm^3/(mol*s)'), n=1.64, Ea=(19.623,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Ca;HJ """, ) @@ -53578,18 +35733,11 @@ index = 2684, label = "H + C9H10-3 <=> C9H11-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6.73e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (18.7443, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6.73e+07,'cm^3/(mol*s)'), n=1.64, Ea=(18.7443,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-HH;HJ """, ) @@ -53598,18 +35746,11 @@ index = 2685, label = "H + C10H12-5 <=> C10H13-80", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7.22e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (16.6942, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7.22e+07,'cm^3/(mol*s)'), n=1.64, Ea=(16.6942,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CsH;HJ """, ) @@ -53618,18 +35759,11 @@ index = 2686, label = "H + C11H14-2 <=> C11H15-79", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8.37e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (14.5185, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8.37e+07,'cm^3/(mol*s)'), n=1.64, Ea=(14.5185,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CsCs;HJ """, ) @@ -53638,18 +35772,11 @@ index = 2687, label = "H + C11H12-4 <=> C11H13-65", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6.7e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (12.552, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6.7e+07,'cm^3/(mol*s)'), n=1.64, Ea=(12.552,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdH;HJ """, ) @@ -53658,18 +35785,11 @@ index = 2688, label = "H + C12H14-2 <=> C12H15-73", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7.51e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (11.506, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7.51e+07,'cm^3/(mol*s)'), n=1.64, Ea=(11.506,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdCs;HJ """, ) @@ -53678,18 +35798,11 @@ index = 2689, label = "H + C13H14-2 <=> C13H15-71", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7.21e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (8.66088, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7.21e+07,'cm^3/(mol*s)'), n=1.64, Ea=(8.66088,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdCd;HJ """, ) @@ -53698,18 +35811,11 @@ index = 2690, label = "H + C11H10-2 <=> C11H11-32", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6.48e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (13.6817, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6.48e+07,'cm^3/(mol*s)'), n=1.64, Ea=(13.6817,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CtH;HJ """, ) @@ -53718,18 +35824,11 @@ index = 2691, label = "H + C12H12-3 <=> C12H13-52", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7.44e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (12.5938, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7.44e+07,'cm^3/(mol*s)'), n=1.64, Ea=(12.5938,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CtCs;HJ """, ) @@ -53738,18 +35837,11 @@ index = 2692, label = "H + C13H12-2 <=> C13H13-28", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2.2e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (9.16296, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2.2e+07,'cm^3/(mol*s)'), n=1.64, Ea=(9.16296,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdCt;HJ """, ) @@ -53758,18 +35850,11 @@ index = 2693, label = "H + C13H10-2 <=> C13H11-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6.53e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (11.7152, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6.53e+07,'cm^3/(mol*s)'), n=1.64, Ea=(11.7152,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CtCt;HJ """, ) @@ -53778,18 +35863,11 @@ index = 2694, label = "H + C15H14-2 <=> C15H15-31", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.74e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (21.0037, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.74e+07,'cm^3/(mol*s)'), n=1.64, Ea=(21.0037,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CbH;HJ """, ) @@ -53798,18 +35876,11 @@ index = 2695, label = "H + C16H16 <=> C16H17-38", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1.028e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (18.9117, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.028e+08,'cm^3/(mol*s)'), n=1.64, Ea=(18.9117,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CbCs;HJ """, ) @@ -53818,18 +35889,11 @@ index = 2696, label = "H + C10H10-17 <=> C10H11-67", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6.09e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (19.4138, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6.09e+07,'cm^3/(mol*s)'), n=1.64, Ea=(19.4138,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Ca;HJ """, ) @@ -53838,18 +35902,11 @@ index = 2697, label = "H + C2H2 <=> C2H3-2", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1.03e+09, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (8.82824, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.03e+09,'cm^3/(mol*s)'), n=1.64, Ea=(8.82824,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-H;HJ """, ) @@ -53858,18 +35915,11 @@ index = 2698, label = "H + C3H4-2 <=> C3H5-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.5e+09, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (13.0959, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.5e+09,'cm^3/(mol*s)'), n=1.64, Ea=(13.0959,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Cs;HJ """, ) @@ -53878,18 +35928,11 @@ index = 2699, label = "H + C4H4-3 <=> C4H5-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5.7e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (6.86176, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5.7e+08,'cm^3/(mol*s)'), n=1.64, Ea=(6.86176,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Cd;HJ """, ) @@ -53898,18 +35941,11 @@ index = 2700, label = "H + C4H2 <=> C4H3", degeneracy = 2.0, - kinetics = Arrhenius( - A = (8.48e+09, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (6.19232, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8.48e+09,'cm^3/(mol*s)'), n=1.64, Ea=(6.19232,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Ct;HJ """, ) @@ -53918,18 +35954,11 @@ index = 2701, label = "H + C3H4-4 <=> C3H5-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6.92e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (14.2256, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6.92e+08,'cm^3/(mol*s)'), n=1.64, Ea=(14.2256,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-H;HJ """, ) @@ -53938,18 +35967,11 @@ index = 2702, label = "H + C4H6-5 <=> C4H7-12", degeneracy = 2.0, - kinetics = Arrhenius( - A = (4.04e+09, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (18.4933, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4.04e+09,'cm^3/(mol*s)'), n=1.64, Ea=(18.4933,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Cs;HJ """, ) @@ -53958,18 +35980,11 @@ index = 2703, label = "H + C5H6-8 <=> C5H7-20", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7.66e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (12.2591, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7.66e+08,'cm^3/(mol*s)'), n=1.64, Ea=(12.2591,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Cd;HJ """, ) @@ -53978,18 +35993,11 @@ index = 2704, label = "H + C5H4-2 <=> C5H5-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5.71e+09, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (11.5897, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5.71e+09,'cm^3/(mol*s)'), n=1.64, Ea=(11.5897,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Ct;HJ """, ) @@ -53998,18 +36006,11 @@ index = 2705, label = "H + C4H4-2 <=> C4H5-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2.62e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (14.7277, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2.62e+08,'cm^3/(mol*s)'), n=1.64, Ea=(14.7277,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-H;HJ """, ) @@ -54018,18 +36019,11 @@ index = 2706, label = "H + C5H6-9 <=> C5H7-21", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7.63e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (18.9954, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7.63e+08,'cm^3/(mol*s)'), n=1.64, Ea=(18.9954,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Cs;HJ """, ) @@ -54038,18 +36032,11 @@ index = 2707, label = "H + C6H6-9 <=> C6H7-25", degeneracy = 2.0, - kinetics = Arrhenius( - A = (5.8e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (12.7612, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5.8e+08,'cm^3/(mol*s)'), n=1.64, Ea=(12.7612,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Cd;HJ """, ) @@ -54058,18 +36045,11 @@ index = 2708, label = "H + C6H4-2 <=> C6H5-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2.16e+09, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (12.0918, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2.16e+09,'cm^3/(mol*s)'), n=1.64, Ea=(12.0918,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Ct;HJ """, ) @@ -54078,18 +36058,11 @@ index = 2709, label = "H + C4H2-2 <=> C4H3-2", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1.674e+09, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (17.2799, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.674e+09,'cm^3/(mol*s)'), n=1.64, Ea=(17.2799,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-H;HJ """, ) @@ -54098,18 +36071,11 @@ index = 2710, label = "H + C5H4-3 <=> C5H5-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2.44e+09, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (21.5058, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2.44e+09,'cm^3/(mol*s)'), n=1.64, Ea=(21.5058,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Cs;HJ """, ) @@ -54118,18 +36084,11 @@ index = 2711, label = "H + C6H4-3 <=> C6H5-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9.27e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (15.3134, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9.27e+08,'cm^3/(mol*s)'), n=1.64, Ea=(15.3134,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Cd;HJ """, ) @@ -54138,18 +36097,11 @@ index = 2712, label = "H + C6H2 <=> C6H3", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1.38e+10, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (14.644, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.38e+10,'cm^3/(mol*s)'), n=1.64, Ea=(14.644,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Ct;HJ """, ) @@ -54158,18 +36110,11 @@ index = 2713, label = "H + C3H4 <=> C3H5-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4.42e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (11.7989, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4.42e+08,'cm^3/(mol*s)'), n=1.64, Ea=(11.7989,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-HH;HJ """, ) @@ -54178,18 +36123,11 @@ index = 2714, label = "H + C4H6-4 <=> C4H7-13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5.46e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (15.8155, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5.46e+08,'cm^3/(mol*s)'), n=1.64, Ea=(15.8155,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-CsH;HJ """, ) @@ -54198,18 +36136,11 @@ index = 2715, label = "H + C5H8-6 <=> C5H9-20", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3.06e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (11.4642, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3.06e+08,'cm^3/(mol*s)'), n=1.64, Ea=(11.4642,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-CsCs;HJ """, ) @@ -54218,18 +36149,11 @@ index = 2716, label = "H + CH2S <=> CH3S", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4.62e+08, 'cm^3/(mol*s)'), - n = 1.7, - Ea = (2.5104, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4.62e+08,'cm^3/(mol*s)'), n=1.7, Ea=(2.5104,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 2, - shortDesc = u"""Aaron Vandeputte GAVs G3""", + shortDesc = """Aaron Vandeputte GAVs G3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Sd;HJ """, ) @@ -54238,18 +36162,11 @@ index = 2717, label = "CH2S + CH3 <=> C2H5S", degeneracy = 1.0, - kinetics = Arrhenius( - A = (11500, 'cm^3/(mol*s)'), - n = 2.8, - Ea = (-0.8368, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(11500,'cm^3/(mol*s)'), n=2.8, Ea=(-0.8368,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Sd;CsJ-HHH """, ) @@ -54258,18 +36175,11 @@ index = 2718, label = "CH2S + C2H5 <=> C3H7S", degeneracy = 1.0, - kinetics = Arrhenius( - A = (557, 'cm^3/(mol*s)'), - n = 2.9, - Ea = (-9.2048, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(557,'cm^3/(mol*s)'), n=2.9, Ea=(-9.2048,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3 ref + G3 contributie""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3 ref + G3 contributie""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Sd;CsJ-CsHH """, ) @@ -54278,18 +36188,11 @@ index = 2719, label = "CH2S + C3H7-2 <=> C4H9S", degeneracy = 1.0, - kinetics = Arrhenius( - A = (178, 'cm^3/(mol*s)'), - n = 2.9, - Ea = (-16.736, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(178,'cm^3/(mol*s)'), n=2.9, Ea=(-16.736,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3 ref + G3 contributie""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3 ref + G3 contributie""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Sd;CsJ-CsCsH """, ) @@ -54298,18 +36201,11 @@ index = 2720, label = "CH2S + C4H9 <=> C5H11S", degeneracy = 1.0, - kinetics = Arrhenius( - A = (120, 'cm^3/(mol*s)'), - n = 3, - Ea = (-21.7568, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(120,'cm^3/(mol*s)'), n=3, Ea=(-21.7568,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3 ref + G3 contributie""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3 ref + G3 contributie""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Sd;CsJ-CsCsCs """, ) @@ -54318,18 +36214,11 @@ index = 2721, label = "HS + CH2S <=> CH3S2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (14600, 'cm^3/(mol*s)'), - n = 2.5, - Ea = (-5.8576, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(14600,'cm^3/(mol*s)'), n=2.5, Ea=(-5.8576,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 2, - shortDesc = u"""Aaron Vandeputte GAVs G3""", + shortDesc = """Aaron Vandeputte GAVs G3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Sd;SsJ-H """, ) @@ -54338,18 +36227,11 @@ index = 2722, label = "CH2S + CH3S-2 <=> C2H5S2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (858, 'cm^3/(mol*s)'), - n = 2.9, - Ea = (-3.7656, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(858,'cm^3/(mol*s)'), n=2.9, Ea=(-3.7656,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 2, - shortDesc = u"""Aaron Vandeputte GAVs G3""", + shortDesc = """Aaron Vandeputte GAVs G3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Sd;SsJ-Cs """, ) @@ -54358,18 +36240,11 @@ index = 2723, label = "HS2 + CH2S <=> CH3S3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (31.9, 'cm^3/(mol*s)'), - n = 3, - Ea = (52.7602, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(31.9,'cm^3/(mol*s)'), n=3, Ea=(52.7602,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 2, - shortDesc = u"""Aaron Vandeputte GAVs G3""", + shortDesc = """Aaron Vandeputte GAVs G3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Sd;SsJ-S2s """, ) @@ -54378,18 +36253,11 @@ index = 2724, label = "CH3 + C2H4S <=> C3H7S-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (871, 'cm^3/(mol*s)'), - n = 2.7, - Ea = (16.736, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(871,'cm^3/(mol*s)'), n=2.7, Ea=(16.736,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 2, - shortDesc = u"""Aaron Vandeputte GAVs G3""", + shortDesc = """Aaron Vandeputte GAVs G3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Sd;CsJ-HHH """, ) @@ -54398,18 +36266,11 @@ index = 2725, label = "CH3 + C3H6S <=> C4H9S-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (195, 'cm^3/(mol*s)'), - n = 2.6, - Ea = (22.5936, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(195,'cm^3/(mol*s)'), n=2.6, Ea=(22.5936,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 2, - shortDesc = u"""Aaron Vandeputte GAVs G3""", + shortDesc = """Aaron Vandeputte GAVs G3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Sd;CsJ-HHH """, ) @@ -54418,18 +36279,11 @@ index = 2726, label = "H + CH2S-2 <=> CH3S-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9.5e+08, 'cm^3/(mol*s)'), - n = 1.7, - Ea = (-2.9288, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9.5e+08,'cm^3/(mol*s)'), n=1.7, Ea=(-2.9288,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 2, - shortDesc = u"""Aaron Vandeputte GAVs G3""", + shortDesc = """Aaron Vandeputte GAVs G3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Sd_Cds-HH;HJ """, ) @@ -54438,18 +36292,11 @@ index = 2727, label = "CH3 + CH2S-2 <=> C2H5S-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3760, 'cm^3/(mol*s)'), - n = 2.9, - Ea = (20.2924, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3760,'cm^3/(mol*s)'), n=2.9, Ea=(20.2924,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 2, - shortDesc = u"""Aaron Vandeputte GAVs G3""", + shortDesc = """Aaron Vandeputte GAVs G3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Sd_Cds-HH;CsJ-HHH """, ) @@ -54458,18 +36305,11 @@ index = 2728, label = "CH2S-2 + C2H5 <=> C3H7S-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (169, 'cm^3/(mol*s)'), - n = 3, - Ea = (-4.184, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(169,'cm^3/(mol*s)'), n=3, Ea=(-4.184,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 2, - shortDesc = u"""Aaron Vandeputte GAVs G3""", + shortDesc = """Aaron Vandeputte GAVs G3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Sd_Cds-HH;CsJ-CsHH """, ) @@ -54478,18 +36318,11 @@ index = 2729, label = "CH2S-2 + C3H7-2 <=> C4H9S-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (64.4, 'cm^3/(mol*s)'), - n = 3, - Ea = (-10.0416, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(64.4,'cm^3/(mol*s)'), n=3, Ea=(-10.0416,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 2, - shortDesc = u"""Aaron Vandeputte GAVs G3""", + shortDesc = """Aaron Vandeputte GAVs G3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Sd_Cds-HH;CsJ-CsCsH """, ) @@ -54498,18 +36331,11 @@ index = 2730, label = "CH2S-2 + C4H9 <=> C5H11S-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (36.2, 'cm^3/(mol*s)'), - n = 3.1, - Ea = (-13.3888, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(36.2,'cm^3/(mol*s)'), n=3.1, Ea=(-13.3888,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 2, - shortDesc = u"""Aaron Vandeputte GAVs G3""", + shortDesc = """Aaron Vandeputte GAVs G3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Sd_Cds-HH;CsJ-CsCsCs """, ) @@ -54518,18 +36344,11 @@ index = 2731, label = "HS + CH2S-2 <=> CH3S2-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7220, 'cm^3/(mol*s)'), - n = 2.6, - Ea = (-25.104, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7220,'cm^3/(mol*s)'), n=2.6, Ea=(-25.104,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 2, - shortDesc = u"""Aaron Vandeputte GAVs G3""", + shortDesc = """Aaron Vandeputte GAVs G3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Sd_Cds-HH;SsJ-H """, ) @@ -54538,18 +36357,11 @@ index = 2732, label = "CH2S-2 + CH3S-2 <=> C2H5S2-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (382, 'cm^3/(mol*s)'), - n = 3, - Ea = (-14.2256, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(382,'cm^3/(mol*s)'), n=3, Ea=(-14.2256,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 2, - shortDesc = u"""Aaron Vandeputte GAVs G3""", + shortDesc = """Aaron Vandeputte GAVs G3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Sd_Cds-HH;SsJ-Cs """, ) @@ -54558,18 +36370,11 @@ index = 2733, label = "HS2 + CH2S-2 <=> CH3S3-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (13.4, 'cm^3/(mol*s)'), - n = 3.3, - Ea = (111.838, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(13.4,'cm^3/(mol*s)'), n=3.3, Ea=(111.838,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 2, - shortDesc = u"""Aaron Vandeputte GAVs G3""", + shortDesc = """Aaron Vandeputte GAVs G3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Sd_Cds-HH;SsJ-S2s """, ) @@ -54578,18 +36383,11 @@ index = 2734, label = "CH3 + C2H4S-2 <=> C3H7S-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5360, 'cm^3/(mol*s)'), - n = 2.8, - Ea = (20.2924, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5360,'cm^3/(mol*s)'), n=2.8, Ea=(20.2924,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 2, - shortDesc = u"""Aaron Vandeputte GAVs G3""", + shortDesc = """Aaron Vandeputte GAVs G3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Sd_Cds-CsH;CsJ-HHH """, ) @@ -54598,18 +36396,11 @@ index = 2735, label = "CH3 + C3H6S-2 <=> C4H9S-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5290, 'cm^3/(mol*s)'), - n = 2.7, - Ea = (20.2924, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5290,'cm^3/(mol*s)'), n=2.7, Ea=(20.2924,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 2, - shortDesc = u"""Aaron Vandeputte GAVs G3""", + shortDesc = """Aaron Vandeputte GAVs G3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Sd_Cds-CsCs;CsJ-HHH """, ) @@ -54618,18 +36409,11 @@ index = 2736, label = "CH3 + C3H4S <=> C4H7S", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1650, 'cm^3/(mol*s)'), - n = 3.2, - Ea = (20.2924, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1650,'cm^3/(mol*s)'), n=3.2, Ea=(20.2924,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 2, - shortDesc = u"""Aaron Vandeputte GAVs G3""", + shortDesc = """Aaron Vandeputte GAVs G3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Sd_Cds-CdH;CsJ-HHH """, ) @@ -54638,18 +36422,11 @@ index = 2737, label = "CH3 + C4H6S <=> C5H9S", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1680, 'cm^3/(mol*s)'), - n = 3.1, - Ea = (20.2924, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1680,'cm^3/(mol*s)'), n=3.1, Ea=(20.2924,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 2, - shortDesc = u"""Aaron Vandeputte GAVs G3""", + shortDesc = """Aaron Vandeputte GAVs G3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Sd_Cds-CdCs;CsJ-HHH """, ) @@ -54658,18 +36435,11 @@ index = 2738, label = "HS + C2H4 <=> C2H5S-3", degeneracy = 2.0, - kinetics = Arrhenius( - A = (4980, 'cm^3/(mol*s)'), - n = 2.7, - Ea = (-3.3472, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4980,'cm^3/(mol*s)'), n=2.7, Ea=(-3.3472,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 2, - shortDesc = u"""Aaron Vandeputte GAVs G3""", + shortDesc = """Aaron Vandeputte GAVs G3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-HH;SsJ-H """, ) @@ -54678,18 +36448,11 @@ index = 2739, label = "C2H4 + CH3S-2 <=> C3H7S-5", degeneracy = 2.0, - kinetics = Arrhenius( - A = (147.8, 'cm^3/(mol*s)'), - n = 3.1, - Ea = (5.4392, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(147.8,'cm^3/(mol*s)'), n=3.1, Ea=(5.4392,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 2, - shortDesc = u"""Aaron Vandeputte GAVs G3""", + shortDesc = """Aaron Vandeputte GAVs G3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-HH;SsJ-Cs """, ) @@ -54698,18 +36461,11 @@ index = 2740, label = "HS2 + C2H4 <=> C2H5S2-3", degeneracy = 2.0, - kinetics = Arrhenius( - A = (8.42, 'cm^3/(mol*s)'), - n = 3.3, - Ea = (70.6678, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8.42,'cm^3/(mol*s)'), n=3.3, Ea=(70.6678,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 2, - shortDesc = u"""Aaron Vandeputte GAVs G3""", + shortDesc = """Aaron Vandeputte GAVs G3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-HH;SsJ-S2s """, ) @@ -54718,18 +36474,11 @@ index = 2741, label = "H + C2H4 <=> C2H5-2", degeneracy = 2.0, - kinetics = Arrhenius( - A = (2e+13, 'cm^3/(mol*s)'), - n = 0, - Ea = (5.0208, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2e+13,'cm^3/(mol*s)'), n=0, Ea=(5.0208,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 11, - shortDesc = u"""Curran et al. [8] in his reaction type 3. Based on recommendations of Allara and Shaw [146]""", + shortDesc = """Curran et al. [8] in his reaction type 3. Based on recommendations of Allara and Shaw [146]""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds;HJ """, ) @@ -54738,18 +36487,11 @@ index = 2742, label = "H + propene_2 <=> C3H7-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1e+13, 'cm^3/(mol*s)'), - n = 0, - Ea = (12.1336, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1e+13,'cm^3/(mol*s)'), n=0, Ea=(12.1336,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 11, - shortDesc = u"""Curran et al. [8] in his reaction type 3. Based on recommendations of Allara and Shaw [146]""", + shortDesc = """Curran et al. [8] in his reaction type 3. Based on recommendations of Allara and Shaw [146]""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds;HJ """, ) @@ -54758,18 +36500,11 @@ index = 2743, label = "H + C4H8-2 <=> C4H9-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1e+13, 'cm^3/(mol*s)'), - n = 0, - Ea = (12.1336, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1e+13,'cm^3/(mol*s)'), n=0, Ea=(12.1336,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 11, - shortDesc = u"""Curran et al. [8] in his reaction type 3. Based on recommendations of Allara and Shaw [146]""", + shortDesc = """Curran et al. [8] in his reaction type 3. Based on recommendations of Allara and Shaw [146]""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds;HJ """, ) @@ -54778,18 +36513,11 @@ index = 2744, label = "CH3 + C2H4 <=> C3H7", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1.7e+11, 'cm^3/(mol*s)'), - n = 0, - Ea = (32.6352, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.7e+11,'cm^3/(mol*s)'), n=0, Ea=(32.6352,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 11, - shortDesc = u"""Curran et al. [8] in his reaction type 3. Based on recommendations of Allara and Shaw [146]""", + shortDesc = """Curran et al. [8] in his reaction type 3. Based on recommendations of Allara and Shaw [146]""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds;CsJ """, ) @@ -54798,18 +36526,11 @@ index = 2745, label = "CH3 + propene_2 <=> C4H9-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8.5e+10, 'cm^3/(mol*s)'), - n = 0, - Ea = (44.3504, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8.5e+10,'cm^3/(mol*s)'), n=0, Ea=(44.3504,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 11, - shortDesc = u"""Curran et al. [8] in his reaction type 3. Based on recommendations of Allara and Shaw [146]""", + shortDesc = """Curran et al. [8] in his reaction type 3. Based on recommendations of Allara and Shaw [146]""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds;CsJ """, ) @@ -54818,18 +36539,11 @@ index = 2746, label = "CH3 + C4H8-2 <=> C5H11-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8.5e+10, 'cm^3/(mol*s)'), - n = 0, - Ea = (44.3504, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8.5e+10,'cm^3/(mol*s)'), n=0, Ea=(44.3504,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 11, - shortDesc = u"""Curran et al. [8] in his reaction type 3. Based on recommendations of Allara and Shaw [146]""", + shortDesc = """Curran et al. [8] in his reaction type 3. Based on recommendations of Allara and Shaw [146]""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds;CsJ """, ) @@ -54838,18 +36552,11 @@ index = 2747, label = "C2H4 + CH3O <=> C3H7O", degeneracy = 2.0, - kinetics = Arrhenius( - A = (2e+11, 'cm^3/(mol*s)'), - n = 0, - Ea = (52.3, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2e+11,'cm^3/(mol*s)'), n=0, Ea=(52.3,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 11, - shortDesc = u"""Curran et al. [8] in his reaction type 20. Based on recommendations of Chen and Bozzelli [57]""", + shortDesc = """Curran et al. [8] in his reaction type 20. Based on recommendations of Chen and Bozzelli [57]""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds;O_rad/NonDe """, ) @@ -54858,18 +36565,11 @@ index = 2748, label = "propene_2 + CH3O <=> C4H9O", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1e+11, 'cm^3/(mol*s)'), - n = 0, - Ea = (46.024, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1e+11,'cm^3/(mol*s)'), n=0, Ea=(46.024,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 11, - shortDesc = u"""Curran et al. [8] in his reaction type 20. Based on recommendations of Chen and Bozzelli [57]""", + shortDesc = """Curran et al. [8] in his reaction type 20. Based on recommendations of Chen and Bozzelli [57]""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds;O_rad/NonDe """, ) @@ -54878,18 +36578,11 @@ index = 2749, label = "C4H8-2 + CH3O <=> C5H11O", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1e+11, 'cm^3/(mol*s)'), - n = 0, - Ea = (31.7984, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1e+11,'cm^3/(mol*s)'), n=0, Ea=(31.7984,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 11, - shortDesc = u"""Curran et al. [8] in his reaction type 20. Based on recommendations of Chen and Bozzelli [57]""", + shortDesc = """Curran et al. [8] in his reaction type 20. Based on recommendations of Chen and Bozzelli [57]""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds;O_rad/NonDe """, ) @@ -54898,18 +36591,11 @@ index = 2750, label = "CH3O-2 + C2H4 <=> C3H7O-2", degeneracy = 2.0, - kinetics = Arrhenius( - A = (4.82e+10, 'cm^3/(mol*s)', '*|/', 5), - n = 0, - Ea = (29.1206, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(4.82e+10,'cm^3/(mol*s)','*|/',5), n=0, Ea=(29.1206,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 10, - shortDesc = u"""Tsang et al. [90] literature review.""", + shortDesc = """Tsang et al. [90] literature review.""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-HH;CsJ-OsHH """, ) @@ -54918,18 +36604,11 @@ index = 2751, label = "OH + C2H4 <=> C2H5O", degeneracy = 2.0, - kinetics = Arrhenius( - A = (5.42e+12, 'cm^3/(mol*s)'), - n = 0, - Ea = (0, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5.42e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Tsang et al. [89] literature review.""", + shortDesc = """Tsang et al. [89] literature review.""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-HH;OJ_pri """, ) @@ -54938,18 +36617,11 @@ index = 2752, label = "CH3 + C3H4-3 <=> C4H7-4", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1.7e+11, 'cm^3/(mol*s)'), - n = 0, - Ea = (32.6352, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.7e+11,'cm^3/(mol*s)'), n=0, Ea=(32.6352,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 11, - shortDesc = u"""Curran et al. [8] in his reaction type 3. Based on recommendations of Allara and Shaw [146]""", + shortDesc = """Curran et al. [8] in his reaction type 3. Based on recommendations of Allara and Shaw [146]""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Ca;CsJ """, ) @@ -54958,18 +36630,11 @@ index = 2753, label = "CH3 + C4H6-3 <=> C5H9-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8.5e+10, 'cm^3/(mol*s)'), - n = 0, - Ea = (44.3504, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8.5e+10,'cm^3/(mol*s)'), n=0, Ea=(44.3504,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 11, - shortDesc = u"""Curran et al. [8] in his reaction type 3. Based on recommendations of Allara and Shaw [146]""", + shortDesc = """Curran et al. [8] in his reaction type 3. Based on recommendations of Allara and Shaw [146]""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Ca;CsJ """, ) @@ -54978,18 +36643,11 @@ index = 2754, label = "CH3 + C5H8-3 <=> C6H11-13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8.5e+10, 'cm^3/(mol*s)'), - n = 0, - Ea = (44.3504, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8.5e+10,'cm^3/(mol*s)'), n=0, Ea=(44.3504,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 11, - shortDesc = u"""Curran et al. [8] in his reaction type 3. Based on recommendations of Allara and Shaw [146]""", + shortDesc = """Curran et al. [8] in his reaction type 3. Based on recommendations of Allara and Shaw [146]""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Ca;CsJ """, ) @@ -54998,18 +36656,11 @@ index = 2755, label = "H + CH2O <=> CH3O-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1e+11, 'cm^3/(mol*s)'), - n = 0, - Ea = (49.7896, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1e+11,'cm^3/(mol*s)'), n=0, Ea=(49.7896,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 11, - shortDesc = u"""Curran et al. [8] in his reaction type 18.""", + shortDesc = """Curran et al. [8] in his reaction type 18.""", longDesc = -u""" +""" Converted to training reaction from rate rule: CO_O;HJ """, ) @@ -55018,18 +36669,11 @@ index = 2756, label = "CH2O + CH3 <=> C2H5O-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1e+11, 'cm^3/(mol*s)'), - n = 0, - Ea = (49.7896, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1e+11,'cm^3/(mol*s)'), n=0, Ea=(49.7896,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 11, - shortDesc = u"""Curran et al. [8] in his reaction type 18.""", + shortDesc = """Curran et al. [8] in his reaction type 18.""", longDesc = -u""" +""" Converted to training reaction from rate rule: CO_O;CsJ """, ) @@ -55038,18 +36682,11 @@ index = 2757, label = "CHO + CH2O <=> C2H3O2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5.2e+11, 'cm^3/(mol*s)'), - n = 0, - Ea = (93.9308, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5.2e+11,'cm^3/(mol*s)'), n=0, Ea=(93.9308,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Bozzelli et al. [144] based on CH3 addition to CO (Anastasi and Maw)""", + shortDesc = """Bozzelli et al. [144] based on CH3 addition to CO (Anastasi and Maw)""", longDesc = -u""" +""" Converted to training reaction from rate rule: CO_O;CO_pri_rad """, ) @@ -55058,18 +36695,11 @@ index = 2758, label = "CH2O + C2H3O-4 <=> C3H5O2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.3e+11, 'cm^3/(mol*s)'), - n = 0, - Ea = (60.12, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.3e+11,'cm^3/(mol*s)'), n=0, Ea=(60.12,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 11, - shortDesc = u"""Curran esitmation [159] in DME oxidation modeling for ketohydroperoxide decomposition.""", + shortDesc = """Curran esitmation [159] in DME oxidation modeling for ketohydroperoxide decomposition.""", longDesc = -u""" +""" Converted to training reaction from rate rule: CO_O;O_rad/OneDe """, ) @@ -55078,18 +36708,11 @@ index = 2759, label = "CH2O + C2H5 <=> C3H7O-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7.94e+10, 'cm^3/(mol*s)'), - n = 0, - Ea = (28.0328, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (333, 'K'), - Tmax = (363, 'K'), - ), + kinetics = Arrhenius(A=(7.94e+10,'cm^3/(mol*s)'), n=0, Ea=(28.0328,'kJ/mol'), T0=(1,'K'), Tmin=(333,'K'), Tmax=(363,'K')), rank = 11, - shortDesc = u"""Knoll et al. [160] Data derived from fitting a complex mechanism.""", + shortDesc = """Knoll et al. [160] Data derived from fitting a complex mechanism.""", longDesc = -u""" +""" Converted to training reaction from rate rule: CO-HH_O;CsJ-CsHH """, ) @@ -55098,18 +36721,11 @@ index = 2760, label = "CH3 + C3H6O <=> C4H9O-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3.16e+10, 'cm^3/(mol*s)'), - n = 0, - Ea = (48.1578, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (413, 'K'), - Tmax = (563, 'K'), - ), + kinetics = Arrhenius(A=(3.16e+10,'cm^3/(mol*s)'), n=0, Ea=(48.1578,'kJ/mol'), T0=(1,'K'), Tmin=(413,'K'), Tmax=(563,'K')), rank = 6, - shortDesc = u"""Knoll et al. [161]""", + shortDesc = """Knoll et al. [161]""", longDesc = -u""" +""" Converted to training reaction from rate rule: CO-CsCs_O;CsJ-HHH """, ) @@ -55118,18 +36734,11 @@ index = 2761, label = "C2H + C2H2 <=> C4H3-3", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1e+13, 'cm^3/(mol*s)'), - n = 0, - Ea = (0, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (700, 'K'), - Tmax = (1300, 'K'), - ), + kinetics = Arrhenius(A=(1e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(700,'K'), Tmax=(1300,'K')), rank = 6, - shortDesc = u"""Duran et al. [165] Ab initio.""", + shortDesc = """Duran et al. [165] Ab initio.""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-H;CtJ_Ct """, ) @@ -55138,18 +36747,11 @@ index = 2762, label = "OH + C2H2 <=> C2H3O-5", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1.21e+12, 'cm^3/(mol*s)', '*|/', 10), - n = 0, - Ea = (1.92464, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (298, 'K'), - Tmax = (1100, 'K'), - ), + kinetics = Arrhenius(A=(1.21e+12,'cm^3/(mol*s)','*|/',10), n=0, Ea=(1.92464,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(1100,'K')), rank = 10, - shortDesc = u"""Baulch et al. [95] literature review.""", + shortDesc = """Baulch et al. [95] literature review.""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-H;OJ_pri """, ) @@ -55158,18 +36760,11 @@ index = 2763, label = "C2H2 + CH3O <=> C3H5O-8", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1.04e+12, 'cm^3/(mol*s)'), - n = 0, - Ea = (33.0536, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.04e+12,'cm^3/(mol*s)'), n=0, Ea=(33.0536,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Bozzelli et al. [144] based on CH3 addition to C2H2 (NIST)""", + shortDesc = """Bozzelli et al. [144] based on CH3 addition to C2H2 (NIST)""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-H;OJ_sec """, ) @@ -55178,18 +36773,11 @@ index = 2764, label = "C3H3-2 + C2H4 <=> C5H7-22", degeneracy = 2.0, - kinetics = Arrhenius( - A = (2.08, 'cm^3/(mol*s)'), - n = 3.05, - Ea = (54.8104, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2.08,'cm^3/(mol*s)'), n=3.05, Ea=(54.8104,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""A.G. Vandeputte, BMK/cbsb7 no 1D-HR (slow anyway)""", + shortDesc = """A.G. Vandeputte, BMK/cbsb7 no 1D-HR (slow anyway)""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-HH;CdsJ=Cdd """, ) @@ -55198,18 +36786,11 @@ index = 2765, label = "C3H3-2 + C2H2 <=> C5H5-8", degeneracy = 2.0, - kinetics = Arrhenius( - A = (340000, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (57.7392, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(340000,'cm^3/(mol*s)'), n=1.64, Ea=(57.7392,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""A.G. Vandeputte, BMK/cbsb7 no 1D-HR (slow anyway)""", + shortDesc = """A.G. Vandeputte, BMK/cbsb7 no 1D-HR (slow anyway)""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-H;CdsJ=Cdd """, ) @@ -55218,17 +36799,10 @@ index = 2766, label = "HO2 + C2H4O <=> C2H5O3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (0.04245, 'cm^3/(mol*s)'), - n = 3.486, - Ea = (94.7258, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1600, 'K'), - ), + kinetics = Arrhenius(A=(0.04245,'cm^3/(mol*s)'), n=3.486, Ea=(94.7258,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1600,'K')), rank = 11, longDesc = -u""" +""" Converted to training reaction from rate rule: CO-NdH_O;OJ-O2s """, ) @@ -55237,17 +36811,10 @@ index = 2767, label = "HO2 + C3H6O <=> C3H7O3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (0.04245, 'cm^3/(mol*s)'), - n = 3.486, - Ea = (94.7258, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1600, 'K'), - ), + kinetics = Arrhenius(A=(0.04245,'cm^3/(mol*s)'), n=3.486, Ea=(94.7258,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1600,'K')), rank = 11, longDesc = -u""" +""" Converted to training reaction from rate rule: CO-CsCs_O;OJ-O2s """, ) @@ -55256,17 +36823,10 @@ index = 2768, label = "HO2 + CH2O <=> CH3O3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (0.04245, 'cm^3/(mol*s)'), - n = 3.486, - Ea = (94.7258, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1600, 'K'), - ), + kinetics = Arrhenius(A=(0.04245,'cm^3/(mol*s)'), n=3.486, Ea=(94.7258,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1600,'K')), rank = 11, longDesc = -u""" +""" Converted to training reaction from rate rule: CO-HH_O;OJ-O2s """, ) @@ -55275,18 +36835,11 @@ index = 2769, label = "HO2 + C2H4 <=> C2H5O2", degeneracy = 2.0, - kinetics = Arrhenius( - A = (71.2, 'cm^3/(mol*s)'), - n = 3.22, - Ea = (46.4424, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (400, 'K'), - Tmax = (1100, 'K'), - ), + kinetics = Arrhenius(A=(71.2,'cm^3/(mol*s)'), n=3.22, Ea=(46.4424,'kJ/mol'), T0=(1,'K'), Tmin=(400,'K'), Tmax=(1100,'K')), rank = 5, - shortDesc = u"""pp, CBS-QB3 calculations, with hindered rotor treatment.""", + shortDesc = """pp, CBS-QB3 calculations, with hindered rotor treatment.""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-HH;OJ-O2s """, ) @@ -55295,18 +36848,11 @@ index = 2770, label = "HO2 + propene_1 <=> C3H7O2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (791, 'cm^3/(mol*s)'), - n = 2.78, - Ea = (39.748, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (400, 'K'), - Tmax = (1100, 'K'), - ), + kinetics = Arrhenius(A=(791,'cm^3/(mol*s)'), n=2.78, Ea=(39.748,'kJ/mol'), T0=(1,'K'), Tmin=(400,'K'), Tmax=(1100,'K')), rank = 5, - shortDesc = u"""ps, CBS-QB3 calculations, with hindered rotor treatment.""", + shortDesc = """ps, CBS-QB3 calculations, with hindered rotor treatment.""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CsH;OJ-O2s """, ) @@ -55315,18 +36861,11 @@ index = 2771, label = "HO2 + C4H8 <=> C4H9O2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1350, 'cm^3/(mol*s)'), - n = 2.67, - Ea = (33.0536, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (400, 'K'), - Tmax = (1100, 'K'), - ), + kinetics = Arrhenius(A=(1350,'cm^3/(mol*s)'), n=2.67, Ea=(33.0536,'kJ/mol'), T0=(1,'K'), Tmin=(400,'K'), Tmax=(1100,'K')), rank = 5, - shortDesc = u"""pt, CBS-QB3 calculations, with hindered rotor treatment.""", + shortDesc = """pt, CBS-QB3 calculations, with hindered rotor treatment.""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CsCs;OJ-O2s """, ) @@ -55335,18 +36874,11 @@ index = 2772, label = "HO2 + propene_2 <=> C3H7O2-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (10.6, 'cm^3/(mol*s)'), - n = 3.29, - Ea = (38.0744, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (400, 'K'), - Tmax = (1100, 'K'), - ), + kinetics = Arrhenius(A=(10.6,'cm^3/(mol*s)'), n=3.29, Ea=(38.0744,'kJ/mol'), T0=(1,'K'), Tmin=(400,'K'), Tmax=(1100,'K')), rank = 5, - shortDesc = u"""sp, CBS-QB3 calculations, with hindered rotor treatment.""", + shortDesc = """sp, CBS-QB3 calculations, with hindered rotor treatment.""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-HH;OJ-O2s """, ) @@ -55355,18 +36887,11 @@ index = 2773, label = "HO2 + butene2 <=> C4H9O2-2", degeneracy = 2.0, - kinetics = Arrhenius( - A = (92.4, 'cm^3/(mol*s)'), - n = 3.09, - Ea = (30.1248, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (400, 'K'), - Tmax = (1100, 'K'), - ), + kinetics = Arrhenius(A=(92.4,'cm^3/(mol*s)'), n=3.09, Ea=(30.1248,'kJ/mol'), T0=(1,'K'), Tmin=(400,'K'), Tmax=(1100,'K')), rank = 5, - shortDesc = u"""ss, CBS-QB3 calculations, with hindered rotor treatment.""", + shortDesc = """ss, CBS-QB3 calculations, with hindered rotor treatment.""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CsH;OJ-O2s """, ) @@ -55375,18 +36900,11 @@ index = 2774, label = "HO2 + C5H10 <=> C5H11O2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (186, 'cm^3/(mol*s)'), - n = 2.95, - Ea = (22.5936, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (400, 'K'), - Tmax = (1100, 'K'), - ), + kinetics = Arrhenius(A=(186,'cm^3/(mol*s)'), n=2.95, Ea=(22.5936,'kJ/mol'), T0=(1,'K'), Tmin=(400,'K'), Tmax=(1100,'K')), rank = 5, - shortDesc = u"""st, CBS-QB3 calculations, with hindered rotor treatment.""", + shortDesc = """st, CBS-QB3 calculations, with hindered rotor treatment.""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CsCs;OJ-O2s """, ) @@ -55395,18 +36913,11 @@ index = 2775, label = "HO2 + C4H8-2 <=> C4H9O2-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (0.337, 'cm^3/(mol*s)'), - n = 3.67, - Ea = (30.1248, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (400, 'K'), - Tmax = (1100, 'K'), - ), + kinetics = Arrhenius(A=(0.337,'cm^3/(mol*s)'), n=3.67, Ea=(30.1248,'kJ/mol'), T0=(1,'K'), Tmin=(400,'K'), Tmax=(1100,'K')), rank = 5, - shortDesc = u"""tp, CBS-QB3 calculations, with hindered rotor treatment.""", + shortDesc = """tp, CBS-QB3 calculations, with hindered rotor treatment.""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-HH;OJ-O2s """, ) @@ -55415,18 +36926,11 @@ index = 2776, label = "HO2 + C5H10-2 <=> C5H11O2-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (0.172, 'cm^3/(mol*s)'), - n = 3.7, - Ea = (19.6648, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (400, 'K'), - Tmax = (1100, 'K'), - ), + kinetics = Arrhenius(A=(0.172,'cm^3/(mol*s)'), n=3.7, Ea=(19.6648,'kJ/mol'), T0=(1,'K'), Tmin=(400,'K'), Tmax=(1100,'K')), rank = 5, - shortDesc = u"""ts, CBS-QB3 calculations, with hindered rotor treatment.""", + shortDesc = """ts, CBS-QB3 calculations, with hindered rotor treatment.""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CsH;OJ-O2s """, ) @@ -55435,18 +36939,11 @@ index = 2777, label = "HO2 + C6H12 <=> C6H13O2", degeneracy = 2.0, - kinetics = Arrhenius( - A = (3.38, 'cm^3/(mol*s)'), - n = 3.44, - Ea = (11.2968, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (400, 'K'), - Tmax = (1100, 'K'), - ), + kinetics = Arrhenius(A=(3.38,'cm^3/(mol*s)'), n=3.44, Ea=(11.2968,'kJ/mol'), T0=(1,'K'), Tmin=(400,'K'), Tmax=(1100,'K')), rank = 5, - shortDesc = u"""tt, CBS-QB3 calculations, with hindered rotor treatment.""", + shortDesc = """tt, CBS-QB3 calculations, with hindered rotor treatment.""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CsCs;OJ-O2s """, ) @@ -55455,18 +36952,11 @@ index = 2778, label = "OH + propene_1 <=> C3H7O-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (320000, 'cm^3/(mol*s)'), - n = 2.03, - Ea = (-14.644, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2000, 'K'), - ), + kinetics = Arrhenius(A=(320000,'cm^3/(mol*s)'), n=2.03, Ea=(-14.644,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 6, - shortDesc = u"""propene+OH rate coefficient""", + shortDesc = """propene+OH rate coefficient""", longDesc = -u""" +""" Ref Ab Initio Kinetics for the Decomposition of Hydroxybutyl and Butoxy Radicals of n-Butanol,Zhang P.,Klippenstein S.K.,Law C.K. The thermochemistry for the species is obtained from Mike's n-butanol paper dx.doi.org/10.1016/j.combustflame.2010.06.002 Original rate is too high (~ factor of 10) replaced with propene+OH rate coefficient @@ -55479,17 +36969,10 @@ index = 2779, label = "C3H6O-2 + CH3 <=> C4H9O-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (532000, 'cm^3/(mol*s)'), - n = 1.85, - Ea = (23.8906, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2000, 'K'), - ), + kinetics = Arrhenius(A=(532000,'cm^3/(mol*s)'), n=1.85, Ea=(23.8906,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 6, longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-Cs\O2s/H;CsJ-HHH """, ) @@ -55498,17 +36981,10 @@ index = 2780, label = "C2H4O-2 + C2H5 <=> C4H9O-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1071, 'cm^3/(mol*s)'), - n = 2.72, - Ea = (34.4762, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2000, 'K'), - ), + kinetics = Arrhenius(A=(1071,'cm^3/(mol*s)'), n=2.72, Ea=(34.4762,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 6, longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-OsH;CsJ-CsHH """, ) @@ -55517,17 +36993,10 @@ index = 2781, label = "CH3O-2 + propene_1 <=> C4H9O-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.381e+06, 'cm^3/(mol*s)'), - n = 1.76, - Ea = (37.1121, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2000, 'K'), - ), + kinetics = Arrhenius(A=(1.381e+06,'cm^3/(mol*s)'), n=1.76, Ea=(37.1121,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 6, longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CsH;CsJ-OsHH """, ) @@ -55536,17 +37005,10 @@ index = 2782, label = "H + C2H4O <=> C2H5O-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9.6e+09, 'cm^3/(mol*s)'), - n = 0.935, - Ea = (17.4473, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2000, 'K'), - ), + kinetics = Arrhenius(A=(9.6e+09,'cm^3/(mol*s)'), n=0.935, Ea=(17.4473,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 6, longDesc = -u""" +""" Converted to training reaction from rate rule: CO-NdH_O;HJ """, ) @@ -55555,18 +37017,11 @@ index = 2783, label = "H + CH2OS <=> CH3OS", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2.79e+08, 'cm^3/(mol*s)'), - n = 1.63, - Ea = (11.3386, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2.79e+08,'cm^3/(mol*s)'), n=1.63, Ea=(11.3386,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 6, - shortDesc = u"""CAC CCSD(T)-F12a/vtz-f12 1DHR""", + shortDesc = """CAC CCSD(T)-F12a/vtz-f12 1DHR""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-OsH_Sd;HJ """, ) @@ -55575,18 +37030,11 @@ index = 2784, label = "CH2OS + CH3 <=> C2H5OS", degeneracy = 1.0, - kinetics = Arrhenius( - A = (23200, 'cm^3/(mol*s)'), - n = 2.35, - Ea = (22.9702, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(23200,'cm^3/(mol*s)'), n=2.35, Ea=(22.9702,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 6, - shortDesc = u"""CAC CCSD(T)-F12a/vtz-F12 1DHR""", + shortDesc = """CAC CCSD(T)-F12a/vtz-F12 1DHR""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-OsH_Sd;CsJ-HHH """, ) @@ -55595,18 +37043,11 @@ index = 2785, label = "CH2OS + C2H5 <=> C3H7OS", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1650, 'cm^3/(mol*s)'), - n = 2.54, - Ea = (16.3176, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1650,'cm^3/(mol*s)'), n=2.54, Ea=(16.3176,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 6, - shortDesc = u"""CAC CCSD(T)-F12a/vtz-F12 1dHR""", + shortDesc = """CAC CCSD(T)-F12a/vtz-F12 1dHR""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-OsH_Sd;CsJ-CsHH """, ) @@ -55615,18 +37056,11 @@ index = 2786, label = "C2H5 + C2H4S-2 <=> C4H9S-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (169, 'cm^3/(mol*s)'), - n = 3, - Ea = (-4.184, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(169,'cm^3/(mol*s)'), n=3, Ea=(-4.184,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""based on 2523""", + shortDesc = """based on 2523""", longDesc = -u""" +""" Converted to training reaction from rate rule: Sd_Cds-CsH;CsJ-CsHH """, ) @@ -55635,18 +37069,11 @@ index = 2787, label = "H + C2H4S <=> C2H5S-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2.13e+09, 'cm^3/(mol*s)'), - n = 1.43, - Ea = (4.76976, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2.13e+09,'cm^3/(mol*s)'), n=1.43, Ea=(4.76976,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 6, - shortDesc = u"""CAC calc CBS-QB3 1dhr""", + shortDesc = """CAC calc CBS-QB3 1dhr""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Sd;HJ """, ) @@ -55655,18 +37082,11 @@ index = 2788, label = "C2H5S-5 + C2H4S <=> C4H9S2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2.57, 'cm^3/(mol*s)'), - n = 3.04, - Ea = (-6.56888, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2.57,'cm^3/(mol*s)'), n=3.04, Ea=(-6.56888,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 6, - shortDesc = u"""CAC calc CBS-QB3 1dhr""", + shortDesc = """CAC calc CBS-QB3 1dhr""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Sd;CsJ-SsCsH """, ) @@ -55675,18 +37095,11 @@ index = 2789, label = "CH3 + C2H4S-2 <=> C3H7S-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3.91e+06, 'cm^3/(mol*s)'), - n = 1.66, - Ea = (-3.64008, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3.91e+06,'cm^3/(mol*s)'), n=1.66, Ea=(-3.64008,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""CAC calc CBS-QB3 1dhr""", + shortDesc = """CAC calc CBS-QB3 1dhr""", longDesc = -u""" +""" Converted to training reaction from rate rule: Sd_Cds-CsH;CsJ """, ) @@ -55695,18 +37108,11 @@ index = 2790, label = "H + COS <=> CHOS", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8.41e+09, 'cm^3/(mol*s)'), - n = 1.23, - Ea = (32.175, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8.41e+09,'cm^3/(mol*s)'), n=1.23, Ea=(32.175,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 5, - shortDesc = u"""CAC calc CCSD(T)-F12a/vtz-f12 1dhr""", + shortDesc = """CAC calc CCSD(T)-F12a/vtz-f12 1dhr""", longDesc = -u""" +""" Converted to training reaction from rate rule: C=S_O;HJ """, ) @@ -55715,18 +37121,11 @@ index = 2791, label = "CH3 + COS <=> C2H3OS", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8.04e+06, 'cm^3/(mol*s)'), - n = 1.68, - Ea = (54.1828, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8.04e+06,'cm^3/(mol*s)'), n=1.68, Ea=(54.1828,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 5, - shortDesc = u"""CAC calc CCSD(T)-F12a/vtz-f12 1dhr""", + shortDesc = """CAC calc CCSD(T)-F12a/vtz-f12 1dhr""", longDesc = -u""" +""" Converted to training reaction from rate rule: C=S_O;CsJ """, ) @@ -55735,18 +37134,11 @@ index = 2792, label = "C2H4S + C2H5 <=> C4H9S-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2310, 'cm^3/(mol*s)'), - n = 2.56, - Ea = (2.25936, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2310,'cm^3/(mol*s)'), n=2.56, Ea=(2.25936,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 6, - shortDesc = u"""CAC calc CBS-QB3 1dhr""", + shortDesc = """CAC calc CBS-QB3 1dhr""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Sd;CsJ-CsHH """, ) @@ -55755,18 +37147,11 @@ index = 2793, label = "C2H4S + C3H7-2 <=> C5H11S-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (50.8, 'cm^3/(mol*s)'), - n = 2.9, - Ea = (-5.10448, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(50.8,'cm^3/(mol*s)'), n=2.9, Ea=(-5.10448,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 6, - shortDesc = u"""CAC calc CBS-QB3 1dhr""", + shortDesc = """CAC calc CBS-QB3 1dhr""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Sd;CsJ-CsCsH """, ) @@ -55775,18 +37160,11 @@ index = 2794, label = "HS + C2H4S <=> C2H5S2-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.18e+13, 'cm^3/(mol*s)'), - n = 0, - Ea = (-5.69024, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (700, 'K'), - ), + kinetics = Arrhenius(A=(1.18e+13,'cm^3/(mol*s)'), n=0, Ea=(-5.69024,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(700,'K')), rank = 10, - shortDesc = u"""AA calcs""", + shortDesc = """AA calcs""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Sd;SsJ-H """, ) @@ -55795,18 +37173,11 @@ index = 2795, label = "CH2S2 + C3H7-2 <=> C4H9S2-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.95e+11, 'cm^3/(mol*s)'), - n = 0, - Ea = (17.5728, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.95e+11,'cm^3/(mol*s)'), n=0, Ea=(17.5728,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""AA calcs""", + shortDesc = """AA calcs""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-SsH_Sd;CsJ-CsCsH """, ) @@ -55815,18 +37186,11 @@ index = 2796, label = "H + C2H4S2 <=> C2H5S2-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.62e+13, 'cm^3/(mol*s)'), - n = 0, - Ea = (20.7945, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.62e+13,'cm^3/(mol*s)'), n=0, Ea=(20.7945,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""AA calcs""", + shortDesc = """AA calcs""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-SsCs_Sd;HJ """, ) @@ -55835,18 +37199,11 @@ index = 2797, label = "H + CS2 <=> CHS2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5.02e+09, 'cm^3/(mol*s)'), - n = 1.34, - Ea = (29.1625, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5.02e+09,'cm^3/(mol*s)'), n=1.34, Ea=(29.1625,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 6, - shortDesc = u"""CAC calc CBS-QB3 1dhr""", + shortDesc = """CAC calc CBS-QB3 1dhr""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cdd-Sd_Sd;HJ """, ) @@ -55855,18 +37212,11 @@ index = 2798, label = "C2H5 + CS2 <=> C3H5S2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (971000, 'cm^3/(mol*s)'), - n = 1.95, - Ea = (38.1162, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(971000,'cm^3/(mol*s)'), n=1.95, Ea=(38.1162,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 6, - shortDesc = u"""CAC calc CBS-QB3 1dhr""", + shortDesc = """CAC calc CBS-QB3 1dhr""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cdd-Sd_Sd;CsJ-CsHH """, ) @@ -55875,18 +37225,11 @@ index = 2799, label = "H + C2H4OS <=> C2H5OS-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5.54e+08, 'cm^3/(mol*s)'), - n = 1.24, - Ea = (-1.4644, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2000, 'K'), - ), + kinetics = Arrhenius(A=(5.54e+08,'cm^3/(mol*s)'), n=1.24, Ea=(-1.4644,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 6, - shortDesc = u"""CAC calc CBS-QB3 1dhr""", + shortDesc = """CAC calc CBS-QB3 1dhr""", longDesc = -u""" +""" Converted to training reaction from rate rule: Sd_Cds-OsCs;HJ """, ) @@ -55895,18 +37238,11 @@ index = 2800, label = "HS + C3H6O-3 <=> C3H7OS-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (128000, 'cm^3/(mol*s)'), - n = 2.39, - Ea = (-12.9286, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2000, 'K'), - ), + kinetics = Arrhenius(A=(128000,'cm^3/(mol*s)'), n=2.39, Ea=(-12.9286,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 6, - shortDesc = u"""CAC calc CBS-QB3 1dhr""", + shortDesc = """CAC calc CBS-QB3 1dhr""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-OsH_Cds-CsH;SsJ-H """, ) @@ -55915,18 +37251,11 @@ index = 2801, label = "C2H4 + O <=> C2H4O-3", degeneracy = 2.0, - kinetics = Arrhenius( - A = (8.84e+07, 'cm^3/(mol*s)'), - n = 1.55, - Ea = (-2.9288, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8.84e+07,'cm^3/(mol*s)'), n=1.55, Ea=(-2.9288,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""AG Vandeputte, BMK/cbsb7""", + shortDesc = """AG Vandeputte, BMK/cbsb7""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-HH;O_atom_triplet """, ) @@ -55935,18 +37264,11 @@ index = 2802, label = "H + C2H4OS-2 <=> C2H5OS-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2.01e+09, 'cm^3/(mol*s)'), - n = 1.21, - Ea = (-5.27184, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2000, 'K'), - ), + kinetics = Arrhenius(A=(2.01e+09,'cm^3/(mol*s)'), n=1.21, Ea=(-5.27184,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 5, - shortDesc = u"""CAC calc CCSD(T)-F12a/vtz-F12 1dhr""", + shortDesc = """CAC calc CCSD(T)-F12a/vtz-F12 1dhr""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-OsCs_Sd;HJ """, ) @@ -55955,18 +37277,11 @@ index = 2803, label = "propene_2 + O <=> C3H6O-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4.17e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (-5.8576, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4.17e+07,'cm^3/(mol*s)'), n=1.64, Ea=(-5.8576,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""AG Vandeputte, BMK/cbsb7""", + shortDesc = """AG Vandeputte, BMK/cbsb7""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-HH;O_atom_triplet """, ) @@ -55975,18 +37290,11 @@ index = 2804, label = "C2H4S-3 + C2H3S <=> C4H7S2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9.46, 'cm^3/(mol*s)'), - n = 3.08, - Ea = (-27.0705, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2000, 'K'), - ), + kinetics = Arrhenius(A=(9.46,'cm^3/(mol*s)'), n=3.08, Ea=(-27.0705,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 10, - shortDesc = u"""CAC calc CBS-QB3, HO approx""", + shortDesc = """CAC calc CBS-QB3, HO approx""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-SsH_Cds;SsJ-Cd """, ) @@ -55995,18 +37303,11 @@ index = 2805, label = "C4H7-2 + C2H4S <=> C6H11S", degeneracy = 1.0, - kinetics = Arrhenius( - A = (288, 'cm^3/(mol*s)'), - n = 2.55, - Ea = (24.309, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2000, 'K'), - ), + kinetics = Arrhenius(A=(288,'cm^3/(mol*s)'), n=2.55, Ea=(24.309,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 6, - shortDesc = u"""CAC CBS-QB3, 1dhr""", + shortDesc = """CAC CBS-QB3, 1dhr""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Sd;CsJ-CdCsH """, ) @@ -56015,18 +37316,11 @@ index = 2806, label = "propene_1 + O <=> C3H6O-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.06e+08, 'cm^3/(mol*s)'), - n = 1.58, - Ea = (-8.368, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.06e+08,'cm^3/(mol*s)'), n=1.58, Ea=(-8.368,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""AG Vandeputte, BMK/cbsb7""", + shortDesc = """AG Vandeputte, BMK/cbsb7""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CsH;O_atom_triplet """, ) @@ -56035,18 +37329,11 @@ index = 2807, label = "C2H4 + O2 <=> C2H4O2", degeneracy = 4.0, - kinetics = Arrhenius( - A = (444, 'cm^3/(mol*s)'), - n = 2.9, - Ea = (132.214, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(444,'cm^3/(mol*s)'), n=2.9, Ea=(132.214,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""AG Vandeputte, BMK/cbsb7""", + shortDesc = """AG Vandeputte, BMK/cbsb7""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-HH;O2b """, ) @@ -56055,18 +37342,11 @@ index = 2808, label = "propene_2 + O2 <=> C3H6O2", degeneracy = 2.0, - kinetics = Arrhenius( - A = (88.4, 'cm^3/(mol*s)'), - n = 3.08, - Ea = (126.357, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(88.4,'cm^3/(mol*s)'), n=3.08, Ea=(126.357,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""AG Vandeputte, BMK/cbsb7""", + shortDesc = """AG Vandeputte, BMK/cbsb7""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-HH;O2b """, ) @@ -56075,18 +37355,11 @@ index = 2809, label = "propene_1 + O2 <=> C3H6O2-2", degeneracy = 2.0, - kinetics = Arrhenius( - A = (552, 'cm^3/(mol*s)'), - n = 2.78, - Ea = (124.683, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(552,'cm^3/(mol*s)'), n=2.78, Ea=(124.683,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""AG Vandeputte, BMK/cbsb7""", + shortDesc = """AG Vandeputte, BMK/cbsb7""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CsH;O2b """, ) @@ -56095,18 +37368,11 @@ index = 2810, label = "C4H6 + O2 <=> C4H6O2", degeneracy = 4.0, - kinetics = Arrhenius( - A = (520, 'cm^3/(mol*s)'), - n = 3.01, - Ea = (98.7424, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(520,'cm^3/(mol*s)'), n=3.01, Ea=(98.7424,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""AG Vandeputte, BMK/cbsb7""", + shortDesc = """AG Vandeputte, BMK/cbsb7""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdH;O2b """, ) @@ -56115,18 +37381,11 @@ index = 2811, label = "H + C2H3O-6 <=> C2H4O-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6.5e+06, 'cm^3/(mol*s)'), - n = 1.86, - Ea = (27.6144, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6.5e+06,'cm^3/(mol*s)'), n=1.86, Ea=(27.6144,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""AG Vandeputte, BMK/cbsb7""", + shortDesc = """AG Vandeputte, BMK/cbsb7""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-OJH_Cds-HH;HJ """, ) @@ -56135,18 +37394,11 @@ index = 2812, label = "H + C3H5O-9 <=> C3H6O-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.08e+07, 'cm^3/(mol*s)'), - n = 1.84, - Ea = (30.9616, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.08e+07,'cm^3/(mol*s)'), n=1.84, Ea=(30.9616,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""AG Vandeputte, BMK/cbsb7""", + shortDesc = """AG Vandeputte, BMK/cbsb7""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-OJH_Cds-CsH;HJ """, ) @@ -56155,18 +37407,11 @@ index = 2813, label = "CH3 + C2H3O-6 <=> C3H6O-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (335, 'cm^3/(mol*s)'), - n = 2.68, - Ea = (40.1664, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(335,'cm^3/(mol*s)'), n=2.68, Ea=(40.1664,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""AG Vandeputte, BMK/cbsb7""", + shortDesc = """AG Vandeputte, BMK/cbsb7""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-OJH_Cds-HH;CsJ-HHH """, ) @@ -56175,18 +37420,11 @@ index = 2814, label = "H + propene_1 <=> C3H7-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.84e+09, 'cm^3/(mol*s)'), - n = 1.553, - Ea = (6.56888, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2000, 'K'), - ), + kinetics = Arrhenius(A=(1.84e+09,'cm^3/(mol*s)'), n=1.553, Ea=(6.56888,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 5, - shortDesc = u"""CCSD(T)/cc-pVTZ""", + shortDesc = """CCSD(T)/cc-pVTZ""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-Cs\H3/H;HJ """, ) @@ -56195,18 +37433,11 @@ index = 2815, label = "CH3O-2 + propene_1 <=> C4H9O-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2550, 'cm^3/(mol*s)'), - n = 2.562, - Ea = (21.0874, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2000, 'K'), - ), + kinetics = Arrhenius(A=(2550,'cm^3/(mol*s)'), n=2.562, Ea=(21.0874,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 11, - shortDesc = u"""same as 3108""", + shortDesc = """same as 3108""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-Cs\H3/H;CsJ-OsHH """, ) @@ -56215,18 +37446,11 @@ index = 2816, label = "H + C2H4O-2 <=> C2H5O-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6.67e+12, 'cm^3/(mol*s)'), - n = 0.1, - Ea = (6.4601, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2000, 'K'), - ), + kinetics = Arrhenius(A=(6.67e+12,'cm^3/(mol*s)'), n=0.1, Ea=(6.4601,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 5, - shortDesc = u"""ED calc RQCISD(T)/aug-cc-pVTZ with 1dHR""", + shortDesc = """ED calc RQCISD(T)/aug-cc-pVTZ with 1dHR""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-OsH;HJ """, ) @@ -56235,18 +37459,11 @@ index = 2817, label = "CH2O + CH3 <=> C2H5O-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (216, 'cm^3/(mol*s)'), - n = 2.97, - Ea = (15.8992, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2000, 'K'), - ), + kinetics = Arrhenius(A=(216,'cm^3/(mol*s)'), n=2.97, Ea=(15.8992,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 5, - shortDesc = u"""ED calc RQCISD(T)/aug-cc-pVTZ with 1dHR""", + shortDesc = """ED calc RQCISD(T)/aug-cc-pVTZ with 1dHR""", longDesc = -u""" +""" Converted to training reaction from rate rule: CO-HH_O;CsJ-HHH """, ) @@ -56255,18 +37472,11 @@ index = 2818, label = "H + C2H4O-5 <=> C2H5O-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4e+09, 'cm^3/(mol*s)'), - n = 1.39, - Ea = (35.8862, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2000, 'K'), - ), + kinetics = Arrhenius(A=(4e+09,'cm^3/(mol*s)'), n=1.39, Ea=(35.8862,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 5, - shortDesc = u"""ED calc RQCISD(T)/aug-cc-pVTZ with 1dHR""", + shortDesc = """ED calc RQCISD(T)/aug-cc-pVTZ with 1dHR""", longDesc = -u""" +""" Converted to training reaction from rate rule: Od_CO-CsH;HJ """, ) @@ -56275,18 +37485,11 @@ index = 2819, label = "OH + propene_1 <=> C3H7O-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2.31e+06, 'cm^3/(mol*s)'), - n = 1.76, - Ea = (-10.2508, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2000, 'K'), - ), + kinetics = Arrhenius(A=(2.31e+06,'cm^3/(mol*s)'), n=1.76, Ea=(-10.2508,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 6, - shortDesc = u"""SSM calc CBS-QB3 1dhr""", + shortDesc = """SSM calc CBS-QB3 1dhr""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-Cs\H3/H;OJ_pri """, ) @@ -56295,18 +37498,11 @@ index = 2820, label = "H + CH2O <=> CH3O-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6.31e+07, 'cm^3/(mol*s)'), - n = 1.8, - Ea = (16.736, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6.31e+07,'cm^3/(mol*s)'), n=1.8, Ea=(16.736,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 6, - shortDesc = u"""Aaron Vandeputte, 1D-HR in transition state""", + shortDesc = """Aaron Vandeputte, 1D-HR in transition state""", longDesc = -u""" +""" AGV BMK/cbsb7 with 1dHR Converted to training reaction from rate rule: CO-HH_O;HJ @@ -56317,18 +37513,11 @@ index = 2821, label = "H + C3H6O-3 <=> C3H7O-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2.182e+10, 'cm^3/(mol*s)'), - n = 0.859, - Ea = (6.76971, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2000, 'K'), - ), + kinetics = Arrhenius(A=(2.182e+10,'cm^3/(mol*s)'), n=0.859, Ea=(6.76971,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 6, - shortDesc = u"""SSM calc CBS-QB3 1dhr""", + shortDesc = """SSM calc CBS-QB3 1dhr""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-OsH_Cds-CsH;HJ """, ) @@ -56337,18 +37526,11 @@ index = 2822, label = "H + C2H4O <=> C2H5O-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8.76e+06, 'cm^3/(mol*s)'), - n = 1.99, - Ea = (24.6856, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8.76e+06,'cm^3/(mol*s)'), n=1.99, Ea=(24.6856,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 6, - shortDesc = u"""Aaron Vandeputte, 1D-HR in transition state""", + shortDesc = """Aaron Vandeputte, 1D-HR in transition state""", longDesc = -u""" +""" AGV BMK/cbsb7 with 1dHR Converted to training reaction from rate rule: CO-CsH_O;HJ @@ -56359,18 +37541,11 @@ index = 2823, label = "H + C3H6O-2 <=> C3H7O-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5.014e+08, 'cm^3/(mol*s)'), - n = 1.733, - Ea = (3.17984, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2000, 'K'), - ), + kinetics = Arrhenius(A=(5.014e+08,'cm^3/(mol*s)'), n=1.733, Ea=(3.17984,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 6, - shortDesc = u"""SSM calc CBS-QB3 1dhr""", + shortDesc = """SSM calc CBS-QB3 1dhr""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-Cs\O2s/H;HJ """, ) @@ -56379,18 +37554,11 @@ index = 2824, label = "H + C3H4O <=> C3H5O-10", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7.5e+06, 'cm^3/(mol*s)'), - n = 2.16, - Ea = (19.2464, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7.5e+06,'cm^3/(mol*s)'), n=2.16, Ea=(19.2464,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 6, - shortDesc = u"""Aaron Vandeputte, 1D-HR in transition state""", + shortDesc = """Aaron Vandeputte, 1D-HR in transition state""", longDesc = -u""" +""" AGV BMK/cbsb7 with 1dHR Converted to training reaction from rate rule: CO-CdH_O;HJ @@ -56401,18 +37569,11 @@ index = 2825, label = "H + C3H6O-8 <=> C3H7O-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3.72e+08, 'cm^3/(mol*s)'), - n = 1.477, - Ea = (6.73624, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2000, 'K'), - ), + kinetics = Arrhenius(A=(3.72e+08,'cm^3/(mol*s)'), n=1.477, Ea=(6.73624,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 6, - shortDesc = u"""SSM calc CBS-QB3 1dhr""", + shortDesc = """SSM calc CBS-QB3 1dhr""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-OsH;HJ """, ) @@ -56421,18 +37582,11 @@ index = 2826, label = "H + C4H6O <=> C4H7O", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3.97e+07, 'cm^3/(mol*s)'), - n = 1.88, - Ea = (32.2168, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3.97e+07,'cm^3/(mol*s)'), n=1.88, Ea=(32.2168,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 6, - shortDesc = u"""Aaron Vandeputte, 1D-HR in transition state""", + shortDesc = """Aaron Vandeputte, 1D-HR in transition state""", longDesc = -u""" +""" AGV BMK/cbsb7 with 1dHR Converted to training reaction from rate rule: CO-CdCs_O;HJ @@ -56443,18 +37597,11 @@ index = 2827, label = "C2H4O-2 + CH3 <=> C3H7O-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (41670, 'cm^3/(mol*s)'), - n = 2.299, - Ea = (28.5767, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2000, 'K'), - ), + kinetics = Arrhenius(A=(41670,'cm^3/(mol*s)'), n=2.299, Ea=(28.5767,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 6, - shortDesc = u"""SSM calc CBS-QB3 1dhr""", + shortDesc = """SSM calc CBS-QB3 1dhr""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-OsH;CsJ-HHH """, ) @@ -56463,18 +37610,11 @@ index = 2828, label = "H + C3H2O <=> C3H3O", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2.99e+06, 'cm^3/(mol*s)'), - n = 2.12, - Ea = (20.0832, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2.99e+06,'cm^3/(mol*s)'), n=2.12, Ea=(20.0832,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 6, - shortDesc = u"""Aaron Vandeputte, 1D-HR in transition state""", + shortDesc = """Aaron Vandeputte, 1D-HR in transition state""", longDesc = -u""" +""" AGV BMK/cbsb7 with 1dHR Converted to training reaction from rate rule: CO-CtH_O;HJ @@ -56485,18 +37625,11 @@ index = 2829, label = "H + CH2O-2 <=> CH3O-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (386700, 'cm^3/(mol*s)'), - n = 2.941, - Ea = (35.6477, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2000, 'K'), - ), + kinetics = Arrhenius(A=(386700,'cm^3/(mol*s)'), n=2.941, Ea=(35.6477,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 11, - shortDesc = u"""SSM calc CBS-QB3 1dhr, gave parent same value as one of the children""", + shortDesc = """SSM calc CBS-QB3 1dhr, gave parent same value as one of the children""", longDesc = -u""" +""" Converted to training reaction from rate rule: Od_CO;HJ """, ) @@ -56505,18 +37638,11 @@ index = 2830, label = "H + C4H4O <=> C4H5O", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.59e+07, 'cm^3/(mol*s)'), - n = 1.84, - Ea = (32.6352, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.59e+07,'cm^3/(mol*s)'), n=1.84, Ea=(32.6352,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 6, - shortDesc = u"""Aaron Vandeputte, 1D-HR in transition state""", + shortDesc = """Aaron Vandeputte, 1D-HR in transition state""", longDesc = -u""" +""" AGV BMK/cbsb7 with 1dHR Converted to training reaction from rate rule: CO-CtCs_O;HJ @@ -56527,18 +37653,11 @@ index = 2831, label = "H + CH2O-2 <=> CH3O-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2330, 'cm^3/(mol*s)'), - n = 3.17, - Ea = (28.0328, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2330,'cm^3/(mol*s)'), n=3.17, Ea=(28.0328,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 6, - shortDesc = u"""Aaron Vandeputte, 1D-HR in transition state""", + shortDesc = """Aaron Vandeputte, 1D-HR in transition state""", longDesc = -u""" +""" AGV BMK/cbsb7 with 1dHR Converted to training reaction from rate rule: Od_CO-HH;HJ @@ -56549,18 +37668,11 @@ index = 2832, label = "H + C3H6O-9 <=> C3H7O-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.73e+08, 'cm^3/(mol*s)'), - n = 1.583, - Ea = (7.57304, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2000, 'K'), - ), + kinetics = Arrhenius(A=(1.73e+08,'cm^3/(mol*s)'), n=1.583, Ea=(7.57304,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 6, - shortDesc = u"""SSM calc CBS-QB3 1dhr""", + shortDesc = """SSM calc CBS-QB3 1dhr""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-Cs\O2s/H_Cds-HH;HJ """, ) @@ -56569,18 +37681,11 @@ index = 2833, label = "H + C3H6O-10 <=> C3H7O-10", degeneracy = 1.0, - kinetics = Arrhenius( - A = (32300, 'cm^3/(mol*s)'), - n = 2.98, - Ea = (33.0536, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(32300,'cm^3/(mol*s)'), n=2.98, Ea=(33.0536,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 6, - shortDesc = u"""Aaron Vandeputte, 1D-HR in transition state""", + shortDesc = """Aaron Vandeputte, 1D-HR in transition state""", longDesc = -u""" +""" AGV BMK/cbsb7 with 1dHR Converted to training reaction from rate rule: Od_CO-CsCs;HJ @@ -56591,18 +37696,11 @@ index = 2834, label = "H + C3H4O-2 <=> C3H5O-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (373000, 'cm^3/(mol*s)'), - n = 2.53, - Ea = (20.92, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(373000,'cm^3/(mol*s)'), n=2.53, Ea=(20.92,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 6, - shortDesc = u"""Aaron Vandeputte, 1D-HR in transition state""", + shortDesc = """Aaron Vandeputte, 1D-HR in transition state""", longDesc = -u""" +""" AGV BMK/cbsb7 with 1dHR Converted to training reaction from rate rule: Od_CO-CdH;HJ @@ -56613,18 +37711,11 @@ index = 2835, label = "H + C4H6O-2 <=> C4H7O-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6.39e+06, 'cm^3/(mol*s)'), - n = 2.09, - Ea = (25.5224, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6.39e+06,'cm^3/(mol*s)'), n=2.09, Ea=(25.5224,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 6, - shortDesc = u"""Aaron Vandeputte, 1D-HR in transition state""", + shortDesc = """Aaron Vandeputte, 1D-HR in transition state""", longDesc = -u""" +""" AGV BMK/cbsb7 with 1dHR Converted to training reaction from rate rule: Od_CO-CdCs;HJ @@ -56635,18 +37726,11 @@ index = 2836, label = "H + C3H2O-2 <=> C3H3O-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.07e+06, 'cm^3/(mol*s)'), - n = 2.43, - Ea = (22.5936, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.07e+06,'cm^3/(mol*s)'), n=2.43, Ea=(22.5936,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 6, - shortDesc = u"""Aaron Vandeputte, 1D-HR in transition state""", + shortDesc = """Aaron Vandeputte, 1D-HR in transition state""", longDesc = -u""" +""" AGV BMK/cbsb7 with 1dHR Converted to training reaction from rate rule: Od_CO-CtH;HJ @@ -56657,18 +37741,11 @@ index = 2837, label = "H + C4H4O-2 <=> C4H5O-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.83e+07, 'cm^3/(mol*s)'), - n = 1.99, - Ea = (27.6144, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.83e+07,'cm^3/(mol*s)'), n=1.99, Ea=(27.6144,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 6, - shortDesc = u"""Aaron Vandeputte, 1D-HR in transition state""", + shortDesc = """Aaron Vandeputte, 1D-HR in transition state""", longDesc = -u""" +""" AGV BMK/cbsb7 with 1dHR Converted to training reaction from rate rule: Od_CO-CtCs;HJ @@ -56679,18 +37756,11 @@ index = 2838, label = "C3H3-2 + C3H4 <=> C6H7-26", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.04, 'cm^3/(mol*s)'), - n = 3.05, - Ea = (54.8104, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.04,'cm^3/(mol*s)'), n=3.05, Ea=(54.8104,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 11, - shortDesc = u"""A.G. Vandeputte estimate. Equal to Cds-HH_Cds-HH;CdsJ=Cdd""", + shortDesc = """A.G. Vandeputte estimate. Equal to Cds-HH_Cds-HH;CdsJ=Cdd""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-HH;CdsJ=Cdd """, ) @@ -56699,18 +37769,11 @@ index = 2839, label = "CH2 + N2 <=> CH2N2", degeneracy = 2.0, - kinetics = Arrhenius( - A = (3.2e+32, 'cm^3/(mol*s)'), - n = -7.07, - Ea = (83.5545, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3.2e+32,'cm^3/(mol*s)'), n=-7.07, Ea=(83.5545,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 2, - shortDesc = u"""Added by Beat Buesser""", + shortDesc = """Added by Beat Buesser""", longDesc = -u""" +""" Added by Beat Buesser, value for reaction: CH2 + N2 = CH2NN (B&D #22a) in 'Gas-Phase Combustion Chemistry' (ISBN: 978-1-4612-7088-1), chapter 2, 'Combustion Chemistry of Nitrogen', Anthony M. Dean, Joseph W. Bozzelli", Converted to training reaction from rate rule: N3t_N3t;CH2_triplet @@ -56721,18 +37784,11 @@ index = 2840, label = "CH + N2 <=> CHN2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3.6e+28, 'cm^3/(mol*s)'), - n = -5.84, - Ea = (10.9621, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3.6e+28,'cm^3/(mol*s)'), n=-5.84, Ea=(10.9621,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 2, - shortDesc = u"""Added by Beat Buesser""", + shortDesc = """Added by Beat Buesser""", longDesc = -u""" +""" Added by Beat Buesser, value for reaction: CH + N2 = HCNN (B&D #24a) in 'Gas-Phase Combustion Chemistry' (ISBN: 978-1-4612-7088-1), chapter 2, 'Combustion Chemistry of Nitrogen', Anthony M. Dean, Joseph W. Bozzelli", Here CH is in its ground state (doublet), as specified in B&D p. 221: The initially formed adduct from CH+N2 is a doublet, and there's a surface crossing to eventually form HCN + N. @@ -56746,18 +37802,11 @@ index = 2841, label = "H + H2N2 <=> H3N2", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1.982e+35, 'cm^3/(mol*s)'), - n = -7.67, - Ea = (52.551, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.982e+35,'cm^3/(mol*s)'), n=-7.67, Ea=(52.551,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 2, - shortDesc = u"""Added by Beat Buesser""", + shortDesc = """Added by Beat Buesser""", longDesc = -u""" +""" Added by Beat Buesser, value for reaction: N2H2 + H = N2H3 (B&D #31a) in 'Gas-Phase Combustion Chemistry' (ISBN: 978-1-4612-7088-1), chapter 2, 'Combustion Chemistry of Nitrogen', Anthony M. Dean, Joseph W. Bozzelli", Converted to training reaction from rate rule: N3d-H_N3d-H;HJ @@ -56768,18 +37817,11 @@ index = 2842, label = "OH + CHN <=> CH2NO", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2.8e+30, 'cm^3/(mol*s)'), - n = -6.37, - Ea = (22.3426, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2.8e+30,'cm^3/(mol*s)'), n=-6.37, Ea=(22.3426,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 2, - shortDesc = u"""Added by Beat Buesser""", + shortDesc = """Added by Beat Buesser""", longDesc = -u""" +""" Added by Beat Buesser, value for reaction: HCN + OH = NCHOH (B&D #42b4) in 'Gas-Phase Combustion Chemistry' (ISBN: 978-1-4612-7088-1), chapter 2, 'Combustion Chemistry of Nitrogen', Anthony M. Dean, Joseph W. Bozzelli", Converted to training reaction from rate rule: Ct-H_N3t;OJ_pri @@ -56790,18 +37832,11 @@ index = 2843, label = "H + CHN <=> CH2N", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7.24e+29, 'cm^3/(mol*s)'), - n = -6.87, - Ea = (31.2126, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7.24e+29,'cm^3/(mol*s)'), n=-6.87, Ea=(31.2126,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 2, - shortDesc = u"""Added by Beat Buesser""", + shortDesc = """Added by Beat Buesser""", longDesc = -u""" +""" Added by Beat Buesser, value for reaction: HCN + H = H2CN (B&D #45a) in 'Gas-Phase Combustion Chemistry' (ISBN: 978-1-4612-7088-1), chapter 2, 'Combustion Chemistry of Nitrogen', Anthony M. Dean, Joseph W. Bozzelli", Converted to training reaction from rate rule: Ct-H_N3t;HJ @@ -56812,18 +37847,11 @@ index = 2844, label = "H + CHN-2 <=> CH2N-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7.24e+29, 'cm^3/(mol*s)'), - n = -6.87, - Ea = (31.2126, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7.24e+29,'cm^3/(mol*s)'), n=-6.87, Ea=(31.2126,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 2, - shortDesc = u"""Added by Beat Buesser""", + shortDesc = """Added by Beat Buesser""", longDesc = -u""" +""" Added by Beat Buesser, value for reaction: HCN + H = HCNH (B&D #46) in 'Gas-Phase Combustion Chemistry' (ISBN: 978-1-4612-7088-1), chapter 2, 'Combustion Chemistry of Nitrogen', Anthony M. Dean, Joseph W. Bozzelli", Converted to training reaction from rate rule: N3t_Ct-H;HJ @@ -56834,18 +37862,11 @@ index = 2845, label = "H + CH3N <=> CH4N", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7.32e+29, 'cm^3/(mol*s)'), - n = -6.51, - Ea = (34.769, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7.32e+29,'cm^3/(mol*s)'), n=-6.51, Ea=(34.769,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 2, - shortDesc = u"""Added by Beat Buesser""", + shortDesc = """Added by Beat Buesser""", longDesc = -u""" +""" Added by Beat Buesser, value for reaction: H2CNH + H = CH3NH (B&D #49a) in 'Gas-Phase Combustion Chemistry' (ISBN: 978-1-4612-7088-1), chapter 2, 'Combustion Chemistry of Nitrogen', Anthony M. Dean, Joseph W. Bozzelli", Converted to training reaction from rate rule: Cds-HH_N3d;HJ @@ -56856,18 +37877,11 @@ index = 2846, label = "H + CH2NH <=> CH2NH2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9.86e+36, 'cm^3/(mol*s)'), - n = -8.41, - Ea = (52.049, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9.86e+36,'cm^3/(mol*s)'), n=-8.41, Ea=(52.049,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 2, - shortDesc = u"""Added by Beat Buesser""", + shortDesc = """Added by Beat Buesser""", longDesc = -u""" +""" Added by Beat Buesser, value for reaction: H2CNH + H = CH2NH2 (B&D #50) in 'Gas-Phase Combustion Chemistry' (ISBN: 978-1-4612-7088-1), chapter 2, 'Combustion Chemistry of Nitrogen', Anthony M. Dean, Joseph W. Bozzelli", Converted to training reaction from rate rule: N3d-H_Cds-HH;HJ @@ -56878,18 +37892,11 @@ index = 2847, label = "CHN-2 + O <=> CHNO", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9.99e+25, 'cm^3/(mol*s)'), - n = -5.73, - Ea = (61.463, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9.99e+25,'cm^3/(mol*s)'), n=-5.73, Ea=(61.463,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 2, - shortDesc = u"""Added by Beat Buesser""", + shortDesc = """Added by Beat Buesser""", longDesc = -u""" +""" Added by Beat Buesser, value for reaction: HCN + O = HCNO (B&D #54) in 'Gas-Phase Combustion Chemistry' (ISBN: 978-1-4612-7088-1), chapter 2, 'Combustion Chemistry of Nitrogen', Anthony M. Dean, Joseph W. Bozzelli", Converted to training reaction from rate rule: N3t_Ct-H;O_atom_triplet @@ -56900,16 +37907,11 @@ index = 2848, label = "C7H8-27 + CH3 <=> C8H11-67", degeneracy = 2.0, - kinetics = Arrhenius( - A = (3356.39, 'cm^3/(mol*s)'), - n = 2.32609, - Ea = (41.1979, 'kJ/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(3356.39,'cm^3/(mol*s)'), n=2.32609, Ea=(41.1979,'kJ/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction, kinetics calculated by Lawrence Lai""", + shortDesc = """Training reaction, kinetics calculated by Lawrence Lai""", longDesc = -u""" +""" Training reaction, kinetics calculated by Lawrence Lai under the CBS-QB3 level of theory, 2017 All hindered rotors (3 total) included in B3LYP/CBSB7 level Toluene + CH3 --> CC1[CH]C(C)C=CC=1 @@ -56922,16 +37924,11 @@ index = 2849, label = "C7H8-13 + CH3 <=> C8H11-68", degeneracy = 2.0, - kinetics = Arrhenius( - A = (3383.86, 'cm^3/(mol*s)'), - n = 2.311, - Ea = (37.9756, 'kJ/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(3383.86,'cm^3/(mol*s)'), n=2.311, Ea=(37.9756,'kJ/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction, kinetics calculated by Lawrence Lai""", + shortDesc = """Training reaction, kinetics calculated by Lawrence Lai""", longDesc = -u""" +""" Training reaction, kinetics calculated by Lawrence Lai under the CBS-QB3 level of theory, 2017 All hindered rotors (3 total) included in B3LYP/CBSB7 level Toluene + CH3 --> CC1=CC=C[CH]C1C @@ -56944,16 +37941,11 @@ index = 2850, label = "C7H8-29 + CH3 <=> C8H11-69", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3945.69, 'cm^3/(mol*s)'), - n = 2.31104, - Ea = (41.6199, 'kJ/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(3945.69,'cm^3/(mol*s)'), n=2.31104, Ea=(41.6199,'kJ/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction, kinetics calculated by Lawrence Lai""", + shortDesc = """Training reaction, kinetics calculated by Lawrence Lai""", longDesc = -u""" +""" Training reaction, kinetics calculated by Lawrence Lai under the CBS-QB3 level of theory, 2017 All hindered rotors (3 total) included in B3LYP/CBSB7 level Toluene + CH3 --> CC1C=CC(C)[CH]C=1 @@ -56966,16 +37958,11 @@ index = 2851, label = "C7H8-5 + CH3 <=> C8H11-70", degeneracy = 1.0, - kinetics = Arrhenius( - A = (144.44, 'cm^3/(mol*s)'), - n = 2.6469, - Ea = (43.8158, 'kJ/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(144.44,'cm^3/(mol*s)'), n=2.6469, Ea=(43.8158,'kJ/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction, kinetics calculated by Lawrence Lai""", + shortDesc = """Training reaction, kinetics calculated by Lawrence Lai""", longDesc = -u""" +""" Training reaction, kinetics calculated by Lawrence Lai under the CBS-QB3 level of theory, 2017 All hindered rotors (3 total) included in B3LYP/CBSB7 level Toluene + CH3 --> CC(C)1C=CC=C[CH]1 @@ -56983,16 +37970,12 @@ More information can be found on pharos/home/laitcl/Gaussian/2017/Aromatic Pi Radicals """, ) + entry( index = 2852, label = "C4H3O2 + C2H2 <=> C6H5O2", degeneracy = 2.0, - kinetics = Arrhenius( - A = (2046, 'cm^3/(mol*s)'), - n = 2.607, - Ea = (15.619, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(2046,'cm^3/(mol*s)'), n=2.607, Ea=(15.619,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['I. V. Tokmakov', 'G. Kim', 'V. V. Kislov', 'A. M. Mebel', 'M. C. Lin'], title = 'The Reaction of Phenyl Radical with Molecular Oxygen: A G2M Study of the Potential Energy Surface', @@ -57004,9 +37987,9 @@ referenceType = "theory", rank = 5, longDesc = -u""" +""" Using CanTherm to calculate TST rates from the PES at the G2M(MP2)//B3LYP/6-311++G** level of theory -The rates have been validated by the rates reported in Proceedings of the Combustion Institute 35 (2015) 1861–1869, +The rates have been validated by the rates reported in Proceedings of the Combustion Institute 35 (2015) 1861–1869, where only 1500, 2000, 2500 K rates were reported. """, ) @@ -57015,12 +37998,7 @@ index = 2853, label = "H + C6H4O2 <=> C6H5O2-2", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1.233e+09, 'cm^3/(mol*s)'), - n = 1.533, - Ea = (1.239, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(1.233e+09,'cm^3/(mol*s)'), n=1.533, Ea=(1.239,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['I. V. Tokmakov', 'G. Kim', 'V. V. Kislov', 'A. M. Mebel', 'M. C. Lin'], title = 'The Reaction of Phenyl Radical with Molecular Oxygen: A G2M Study of the Potential Energy Surface', @@ -57032,9 +38010,9 @@ referenceType = "theory", rank = 5, longDesc = -u""" +""" Using CanTherm to calculate TST rates from the PES at the G2M(MP2)//B3LYP/6-311++G** level of theory -The rates have been validated by the rates reported in Proceedings of the Combustion Institute 35 (2015) 1861–1869, +The rates have been validated by the rates reported in Proceedings of the Combustion Institute 35 (2015) 1861–1869, where only 1500, 2000, 2500 K rates were reported. """, ) @@ -57043,12 +38021,7 @@ index = 2854, label = "C3H3 + C4H2 <=> C7H5", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1.67e-18, 'cm^3/(molecule*s)'), - n = 1.997, - Ea = (7.78, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(1.67e-18,'cm^3/(molecule*s)'), n=1.997, Ea=(7.78,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['Gabriel da Silva', 'Adam J. Trevittb'], title = 'Chemically activated reactions on the C7H5 energy surface: propargyl+diacetylene, i-C5H3+acetylene, and n-C5H3+acetylene', @@ -57057,10 +38030,10 @@ pages = '8940-8952', year = '2011', ), - referenceType = "theory", + referenceType = "theory", rank = 5, longDesc = -u""" +""" All species reported here are studied using the G3SX composite theoretical methodology. This method uses B3LYP/6-31G(2df,p) optimized geometries, vibrational frequencies and scaled zero point energies, with higher-level wavefunction theory calculations for accurate energies (along with empirical scaling corrections). 1D-Hinder rotor is considered. @@ -57071,12 +38044,7 @@ index = 2855, label = "H + C7H4-2 <=> C7H5-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2.13e-15, 'cm^3/(molecule*s)'), - n = 1.462, - Ea = (0.94, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(2.13e-15,'cm^3/(molecule*s)'), n=1.462, Ea=(0.94,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['Gabriel da Silva', 'Adam J. Trevittb'], title = 'Chemically activated reactions on the C7H5 energy surface: propargyl+diacetylene, i-C5H3+acetylene, and n-C5H3+acetylene', @@ -57085,10 +38053,10 @@ pages = '8940-8952', year = '2011', ), - referenceType = "theory", + referenceType = "theory", rank = 5, longDesc = -u""" +""" All species reported here are studied using the G3SX composite theoretical methodology. This method uses B3LYP/6-31G(2df,p) optimized geometries, vibrational frequencies and scaled zero point energies, with higher-level wavefunction theory calculations for accurate energies (along with empirical scaling corrections). 1D-Hinder rotor is considered. @@ -57099,12 +38067,7 @@ index = 2856, label = "C3H3-2 + C4H2 <=> C7H5-6", degeneracy = 2.0, - kinetics = Arrhenius( - A = (3e-18, 'cm^3/(molecule*s)'), - n = 1.925, - Ea = (10.06, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(3e-18,'cm^3/(molecule*s)'), n=1.925, Ea=(10.06,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['Gabriel da Silva', 'Adam J. Trevittb'], title = 'Chemically activated reactions on the C7H5 energy surface: propargyl+diacetylene, i-C5H3+acetylene, and n-C5H3+acetylene', @@ -57113,10 +38076,10 @@ pages = '8940-8952', year = '2011', ), - referenceType = "theory", + referenceType = "theory", rank = 5, longDesc = -u""" +""" All species reported here are studied using the G3SX composite theoretical methodology. This method uses B3LYP/6-31G(2df,p) optimized geometries, vibrational frequencies and scaled zero point energies, with higher-level wavefunction theory calculations for accurate energies (along with empirical scaling corrections). 1D-Hinder rotor is considered. @@ -57127,12 +38090,7 @@ index = 2857, label = "H + C7H4-3 <=> C7H5-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2.02e-15, 'cm^3/(molecule*s)'), - n = 1.464, - Ea = (1.34, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(2.02e-15,'cm^3/(molecule*s)'), n=1.464, Ea=(1.34,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['Gabriel da Silva', 'Adam J. Trevittb'], title = 'Chemically activated reactions on the C7H5 energy surface: propargyl+diacetylene, i-C5H3+acetylene, and n-C5H3+acetylene', @@ -57141,10 +38099,10 @@ pages = '8940-8952', year = '2011', ), - referenceType = "theory", + referenceType = "theory", rank = 5, longDesc = -u""" +""" All species reported here are studied using the G3SX composite theoretical methodology. This method uses B3LYP/6-31G(2df,p) optimized geometries, vibrational frequencies and scaled zero point energies, with higher-level wavefunction theory calculations for accurate energies (along with empirical scaling corrections). 1D-Hinder rotor is considered. @@ -57155,12 +38113,7 @@ index = 2858, label = "H + C7H4-4 <=> C7H5-8", degeneracy = 3.0, - kinetics = Arrhenius( - A = (4.32e-15, 'cm^3/(molecule*s)'), - n = 1.415, - Ea = (3.09, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(4.32e-15,'cm^3/(molecule*s)'), n=1.415, Ea=(3.09,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['Gabriel da Silva', 'Adam J. Trevittb'], title = 'Chemically activated reactions on the C7H5 energy surface: propargyl+diacetylene, i-C5H3+acetylene, and n-C5H3+acetylene', @@ -57169,10 +38122,10 @@ pages = '8940-8952', year = '2011', ), - referenceType = "theory", + referenceType = "theory", rank = 5, longDesc = -u""" +""" All species reported here are studied using the G3SX composite theoretical methodology. This method uses B3LYP/6-31G(2df,p) optimized geometries, vibrational frequencies and scaled zero point energies, with higher-level wavefunction theory calculations for accurate energies (along with empirical scaling corrections). 1D-Hinder rotor is considered. @@ -57183,12 +38136,7 @@ index = 2859, label = "H + C7H4-5 <=> C7H5-9", degeneracy = 2.0, - kinetics = Arrhenius( - A = (3.05e-15, 'cm^3/(molecule*s)'), - n = 1.43, - Ea = (2.42, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(3.05e-15,'cm^3/(molecule*s)'), n=1.43, Ea=(2.42,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['Gabriel da Silva', 'Adam J. Trevittb'], title = 'Chemically activated reactions on the C7H5 energy surface: propargyl+diacetylene, i-C5H3+acetylene, and n-C5H3+acetylene', @@ -57197,10 +38145,10 @@ pages = '8940-8952', year = '2011', ), - referenceType = "theory", + referenceType = "theory", rank = 5, longDesc = -u""" +""" All species reported here are studied using the G3SX composite theoretical methodology. This method uses B3LYP/6-31G(2df,p) optimized geometries, vibrational frequencies and scaled zero point energies, with higher-level wavefunction theory calculations for accurate energies (along with empirical scaling corrections). 1D-Hinder rotor is considered. @@ -57211,12 +38159,7 @@ index = 2860, label = "C5H3 + C2H2 <=> C7H5-10", degeneracy = 2.0, - kinetics = Arrhenius( - A = (2.56e-18, 'cm^3/(molecule*s)'), - n = 1.906, - Ea = (14.54, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(2.56e-18,'cm^3/(molecule*s)'), n=1.906, Ea=(14.54,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['Gabriel da Silva', 'Adam J. Trevittb'], title = 'Chemically activated reactions on the C7H5 energy surface: propargyl+diacetylene, i-C5H3+acetylene, and n-C5H3+acetylene', @@ -57225,10 +38168,10 @@ pages = '8940-8952', year = '2011', ), - referenceType = "theory", + referenceType = "theory", rank = 5, longDesc = -u""" +""" All species reported here are studied using the G3SX composite theoretical methodology. This method uses B3LYP/6-31G(2df,p) optimized geometries, vibrational frequencies and scaled zero point energies, with higher-level wavefunction theory calculations for accurate energies (along with empirical scaling corrections). 1D-Hinder rotor is considered. @@ -57239,12 +38182,7 @@ index = 2861, label = "C5H3-2 + C2H2 <=> C7H5-11", degeneracy = 4.0, - kinetics = Arrhenius( - A = (4.12e-18, 'cm^3/(molecule*s)'), - n = 1.929, - Ea = (16.01, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(4.12e-18,'cm^3/(molecule*s)'), n=1.929, Ea=(16.01,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['Gabriel da Silva', 'Adam J. Trevittb'], title = 'Chemically activated reactions on the C7H5 energy surface: propargyl+diacetylene, i-C5H3+acetylene, and n-C5H3+acetylene', @@ -57253,10 +38191,10 @@ pages = '8940-8952', year = '2011', ), - referenceType = "theory", + referenceType = "theory", rank = 5, longDesc = -u""" +""" All species reported here are studied using the G3SX composite theoretical methodology. This method uses B3LYP/6-31G(2df,p) optimized geometries, vibrational frequencies and scaled zero point energies, with higher-level wavefunction theory calculations for accurate energies (along with empirical scaling corrections). 1D-Hinder rotor is considered. @@ -57267,12 +38205,7 @@ index = 2862, label = "H + C7H4-6 <=> C7H5-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.41e-15, 'cm^3/(molecule*s)'), - n = 1.431, - Ea = (3.42, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(1.41e-15,'cm^3/(molecule*s)'), n=1.431, Ea=(3.42,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['Gabriel da Silva', 'Adam J. Trevittb'], title = 'Chemically activated reactions on the C7H5 energy surface: propargyl+diacetylene, i-C5H3+acetylene, and n-C5H3+acetylene', @@ -57281,10 +38214,10 @@ pages = '8940-8952', year = '2011', ), - referenceType = "theory", + referenceType = "theory", rank = 5, longDesc = -u""" +""" All species reported here are studied using the G3SX composite theoretical methodology. This method uses B3LYP/6-31G(2df,p) optimized geometries, vibrational frequencies and scaled zero point energies, with higher-level wavefunction theory calculations for accurate energies (along with empirical scaling corrections). 1D-Hinder rotor is considered. @@ -57295,12 +38228,7 @@ index = 2863, label = "H + C7H4-7 <=> C7H5-13", degeneracy = 2.0, - kinetics = Arrhenius( - A = (4.48e-15, 'cm^3/(molecule*s)'), - n = 1.432, - Ea = (2.76, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(4.48e-15,'cm^3/(molecule*s)'), n=1.432, Ea=(2.76,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['Gabriel da Silva', 'Adam J. Trevittb'], title = 'Chemically activated reactions on the C7H5 energy surface: propargyl+diacetylene, i-C5H3+acetylene, and n-C5H3+acetylene', @@ -57309,10 +38237,10 @@ pages = '8940-8952', year = '2011', ), - referenceType = "theory", + referenceType = "theory", rank = 5, longDesc = -u""" +""" All species reported here are studied using the G3SX composite theoretical methodology. This method uses B3LYP/6-31G(2df,p) optimized geometries, vibrational frequencies and scaled zero point energies, with higher-level wavefunction theory calculations for accurate energies (along with empirical scaling corrections). 1D-Hinder rotor is considered. @@ -57323,12 +38251,7 @@ index = 2864, label = "C5H3-3 + C2H2 <=> C7H5-14", degeneracy = 2.0, - kinetics = Arrhenius( - A = (3.98e-18, 'cm^3/(molecule*s)'), - n = 1.935, - Ea = (20.73, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(3.98e-18,'cm^3/(molecule*s)'), n=1.935, Ea=(20.73,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['Gabriel da Silva', 'Adam J. Trevittb'], title = 'Chemically activated reactions on the C7H5 energy surface: propargyl+diacetylene, i-C5H3+acetylene, and n-C5H3+acetylene', @@ -57337,10 +38260,10 @@ pages = '8940-8952', year = '2011', ), - referenceType = "theory", + referenceType = "theory", rank = 5, longDesc = -u""" +""" All species reported here are studied using the G3SX composite theoretical methodology. This method uses B3LYP/6-31G(2df,p) optimized geometries, vibrational frequencies and scaled zero point energies, with higher-level wavefunction theory calculations for accurate energies (along with empirical scaling corrections). 1D-Hinder rotor is considered. @@ -57351,12 +38274,7 @@ index = 2865, label = "C5H3-4 + C2H2 <=> C7H5-15", degeneracy = 2.0, - kinetics = Arrhenius( - A = (7.28e-18, 'cm^3/(molecule*s)'), - n = 1.851, - Ea = (15.71, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(7.28e-18,'cm^3/(molecule*s)'), n=1.851, Ea=(15.71,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['Gabriel da Silva', 'Adam J. Trevittb'], title = 'Chemically activated reactions on the C7H5 energy surface: propargyl+diacetylene, i-C5H3+acetylene, and n-C5H3+acetylene', @@ -57365,10 +38283,10 @@ pages = '8940-8952', year = '2011', ), - referenceType = "theory", + referenceType = "theory", rank = 5, longDesc = -u""" +""" All species reported here are studied using the G3SX composite theoretical methodology. This method uses B3LYP/6-31G(2df,p) optimized geometries, vibrational frequencies and scaled zero point energies, with higher-level wavefunction theory calculations for accurate energies (along with empirical scaling corrections). 1D-Hinder rotor is considered. @@ -57379,12 +38297,7 @@ index = 2866, label = "C5H3-5 + C2H2 <=> C7H5-16", degeneracy = 2.0, - kinetics = Arrhenius( - A = (3.97e-18, 'cm^3/(molecule*s)'), - n = 1.905, - Ea = (11.71, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(3.97e-18,'cm^3/(molecule*s)'), n=1.905, Ea=(11.71,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['Gabriel da Silva', 'Adam J. Trevittb'], title = 'Chemically activated reactions on the C7H5 energy surface: propargyl+diacetylene, i-C5H3+acetylene, and n-C5H3+acetylene', @@ -57393,10 +38306,10 @@ pages = '8940-8952', year = '2011', ), - referenceType = "theory", + referenceType = "theory", rank = 5, longDesc = -u""" +""" All species reported here are studied using the G3SX composite theoretical methodology. This method uses B3LYP/6-31G(2df,p) optimized geometries, vibrational frequencies and scaled zero point energies, with higher-level wavefunction theory calculations for accurate energies (along with empirical scaling corrections). 1D-Hinder rotor is considered. @@ -57407,12 +38320,7 @@ index = 2867, label = "H + C7H4-8 <=> C7H5-17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.84e-15, 'cm^3/(molecule*s)'), - n = 1.405, - Ea = (3.11, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(1.84e-15,'cm^3/(molecule*s)'), n=1.405, Ea=(3.11,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['Gabriel da Silva', 'Adam J. Trevittb'], title = 'Chemically activated reactions on the C7H5 energy surface: propargyl+diacetylene, i-C5H3+acetylene, and n-C5H3+acetylene', @@ -57421,10 +38329,10 @@ pages = '8940-8952', year = '2011', ), - referenceType = "theory", + referenceType = "theory", rank = 5, longDesc = -u""" +""" All species reported here are studied using the G3SX composite theoretical methodology. This method uses B3LYP/6-31G(2df,p) optimized geometries, vibrational frequencies and scaled zero point energies, with higher-level wavefunction theory calculations for accurate energies (along with empirical scaling corrections). 1D-Hinder rotor is considered. @@ -57435,18 +38343,11 @@ index = 2868, label = "C12H16-1 + H <=> C12H17-63", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8.11555e+07, 'cm^3/(mol*s)'), - n = 1.68908, - Ea = (2.8054, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (303.03, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(8.11555e+07,'cm^3/(mol*s)'), n=1.68908, Ea=(2.8054,'kJ/mol'), T0=(1,'K'), Tmin=(303.03,'K'), Tmax=(2500,'K')), rank = 5, - shortDesc = u"""Calculation performed by Lawrence Lai, March 2018, CBS-QB3 level of theory""", + shortDesc = """Calculation performed by Lawrence Lai, March 2018, CBS-QB3 level of theory""", longDesc = -u""" +""" Training reaction from kinetics library: Lai_Hexylbenzene Calculation for Ethyltetralin + H <=> EthyltetralinRad Level of Theory: CBS-QB3, 1-D Rotors in B3LYP/CBSB7 @@ -57458,18 +38359,11 @@ index = 2869, label = "C12H16-2 + H <=> C12H17-64", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.05357e+08, 'cm^3/(mol*s)'), - n = 1.45722, - Ea = (22.2904, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (303.03, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(1.05357e+08,'cm^3/(mol*s)'), n=1.45722, Ea=(22.2904,'kJ/mol'), T0=(1,'K'), Tmin=(303.03,'K'), Tmax=(2500,'K')), rank = 5, - shortDesc = u"""Calculation performed by Lawrence Lai, March 2018, CBS-QB3 level of theory""", + shortDesc = """Calculation performed by Lawrence Lai, March 2018, CBS-QB3 level of theory""", longDesc = -u""" +""" Training reaction from kinetics library: Lai_Hexylbenzene Calculation for Propylindane + H <=> PropylindaneRad Level of Theory: CBS-QB3, 1-D Rotors in B3LYP/CBSB7 @@ -57481,18 +38375,11 @@ index = 2870, label = "C12H14-3 + H <=> C12H15-74", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8.11555e+07, 'cm^3/(mol*s)'), - n = 1.68908, - Ea = (2.8054, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (303.03, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(8.11555e+07,'cm^3/(mol*s)'), n=1.68908, Ea=(2.8054,'kJ/mol'), T0=(1,'K'), Tmin=(303.03,'K'), Tmax=(2500,'K')), rank = 5, - shortDesc = u"""Calculation performed by Lawrence Lai, March 2018, CBS-QB3 level of theory""", + shortDesc = """Calculation performed by Lawrence Lai, March 2018, CBS-QB3 level of theory""", longDesc = -u""" +""" Training reaction from kinetics library: Lai_Hexylbenzene Calculation for PropylindeneFar + HRad <=> PropylindeneRadFar Level of Theory: CBS-QB3, 1-D Rotors in B3LYP/CBSB7 @@ -57504,18 +38391,11 @@ index = 2871, label = "C12H14-4 + H <=> C12H15-75", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.49151e+09, 'cm^3/(mol*s)'), - n = 1.41481, - Ea = (8.0185, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (303.03, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(1.49151e+09,'cm^3/(mol*s)'), n=1.41481, Ea=(8.0185,'kJ/mol'), T0=(1,'K'), Tmin=(303.03,'K'), Tmax=(2500,'K')), rank = 5, - shortDesc = u"""Calculation performed by Lawrence Lai, March 2018, CBS-QB3 level of theory""", + shortDesc = """Calculation performed by Lawrence Lai, March 2018, CBS-QB3 level of theory""", longDesc = -u""" +""" Training reaction from kinetics library: Lai_Hexylbenzene Calculation for EthylDihydronaphthaleneFar + HRad <=> EthylDihydronaphthaleneRadFar Level of Theory: CBS-QB3, 1-D Rotors in B3LYP/CBSB7 @@ -57527,18 +38407,11 @@ index = 2872, label = "C12H14-5 + H <=> C12H15-76", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.09054e+09, 'cm^3/(mol*s)'), - n = 1.09894, - Ea = (14.5058, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (303.03, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(1.09054e+09,'cm^3/(mol*s)'), n=1.09894, Ea=(14.5058,'kJ/mol'), T0=(1,'K'), Tmin=(303.03,'K'), Tmax=(2500,'K')), rank = 5, - shortDesc = u"""Calculation performed by Lawrence Lai, March 2018, CBS-QB3 level of theory""", + shortDesc = """Calculation performed by Lawrence Lai, March 2018, CBS-QB3 level of theory""", longDesc = -u""" +""" Training reaction from kinetics library: Lai_Hexylbenzene Calculation for EthylDihydronaphthaleneNear + HRad <=> EthylDihydronaphthaleneRadNear Level of Theory: CBS-QB3, 1-D Rotors in B3LYP/CBSB7 @@ -57550,18 +38423,11 @@ index = 2873, label = "C12H12-5 + H <=> C12H13-53", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5.15411e+09, 'cm^3/(mol*s)'), - n = 1.29523, - Ea = (13.7245, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (303.03, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(5.15411e+09,'cm^3/(mol*s)'), n=1.29523, Ea=(13.7245,'kJ/mol'), T0=(1,'K'), Tmin=(303.03,'K'), Tmax=(2500,'K')), rank = 5, - shortDesc = u"""Calculation performed by Lawrence Lai, March 2018, CBS-QB3 level of theory""", + shortDesc = """Calculation performed by Lawrence Lai, March 2018, CBS-QB3 level of theory""", longDesc = -u""" +""" Training reaction from kinetics library: Lai_Hexylbenzene Calculation for Ethylnaphthalene + HRad <=> EthylnaphthaleneRadFar Level of Theory: CBS-QB3 @@ -57573,18 +38439,11 @@ index = 2874, label = "C12H12-6 + H <=> C12H13-54", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4.74269e+09, 'cm^3/(mol*s)'), - n = 1.2919, - Ea = (18.5634, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (303.03, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(4.74269e+09,'cm^3/(mol*s)'), n=1.2919, Ea=(18.5634,'kJ/mol'), T0=(1,'K'), Tmin=(303.03,'K'), Tmax=(2500,'K')), rank = 5, - shortDesc = u"""Calculation performed by Lawrence Lai, March 2018, CBS-QB3 level of theory""", + shortDesc = """Calculation performed by Lawrence Lai, March 2018, CBS-QB3 level of theory""", longDesc = -u""" +""" Training reaction from kinetics library: Lai_Hexylbenzene Calculation for Ethylnaphthalene + HRad <=> EthylnaphthaleneRadFar2 Level of Theory: CBS-QB3, 1-D Rotors in B3LYP/CBSB7 @@ -57596,18 +38455,11 @@ index = 2875, label = "C12H12-7 + H <=> C12H13-55", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3.30484e+08, 'cm^3/(mol*s)'), - n = 1.57158, - Ea = (16.2141, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (303.03, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(3.30484e+08,'cm^3/(mol*s)'), n=1.57158, Ea=(16.2141,'kJ/mol'), T0=(1,'K'), Tmin=(303.03,'K'), Tmax=(2500,'K')), rank = 5, - shortDesc = u"""Calculation performed by Lawrence Lai, March 2018, CBS-QB3 level of theory""", + shortDesc = """Calculation performed by Lawrence Lai, March 2018, CBS-QB3 level of theory""", longDesc = -u""" +""" Training reaction from kinetics library: Lai_Hexylbenzene Calculation for Ethylnaphthalene + HRad <=> EthylnaphthaleneRadNear Level of Theory: CBS-QB3, 1-D Rotors in B3LYP/CBSB7 @@ -57619,18 +38471,11 @@ index = 2876, label = "C12H12-8 + H <=> C12H13-56", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9.84923e+08, 'cm^3/(mol*s)'), - n = 1.49476, - Ea = (14.68, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (303.03, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(9.84923e+08,'cm^3/(mol*s)'), n=1.49476, Ea=(14.68,'kJ/mol'), T0=(1,'K'), Tmin=(303.03,'K'), Tmax=(2500,'K')), rank = 5, - shortDesc = u"""Calculation performed by Lawrence Lai, March 2018, CBS-QB3 level of theory""", + shortDesc = """Calculation performed by Lawrence Lai, March 2018, CBS-QB3 level of theory""", longDesc = -u""" +""" Training reaction from kinetics library: Lai_Hexylbenzene Calculation for Ethylnaphthalene + HRad <=> EthylnaphthaleneRadNear2 Level of Theory: CBS-QB3, 1-D Rotors in B3LYP/CBSB7 @@ -57642,16 +38487,11 @@ index = 2877, label = "C7H8-27 + C2H5 <=> C9H13-76", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1781.88, 'cm^3/(mol*s)'), - n = 2.58533, - Ea = (34.9048, 'kJ/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(1781.88,'cm^3/(mol*s)'), n=2.58533, Ea=(34.9048,'kJ/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction, kinetics calculated by Lawrence Lai""", + shortDesc = """Training reaction, kinetics calculated by Lawrence Lai""", longDesc = -u""" +""" Training reaction, kinetics calculated by Lawrence Lai under the CBS-QB3 level of theory, 2017 All hindered rotors included in B3LYP/CBSB7 level Toluene + C2H5 --> CCC1[CH]C(C)=CC=C1 @@ -57664,16 +38504,11 @@ index = 2878, label = "C7H8-13 + C2H5 <=> C9H13-77", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1048.1, 'cm^3/(mol*s)'), - n = 2.63245, - Ea = (32.101, 'kJ/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(1048.1,'cm^3/(mol*s)'), n=2.63245, Ea=(32.101,'kJ/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction, kinetics calculated by Lawrence Lai""", + shortDesc = """Training reaction, kinetics calculated by Lawrence Lai""", longDesc = -u""" +""" Training reaction, kinetics calculated by Lawrence Lai under the CBS-QB3 level of theory, 2017 All hindered rotors included in B3LYP/CBSB7 level Toluene + C2H5 --> CCC1[CH]C=CC=C1C @@ -57686,16 +38521,11 @@ index = 2879, label = "C7H8-29 + C2H5 <=> C9H13-78", degeneracy = 1.0, - kinetics = Arrhenius( - A = (565.91, 'cm^3/(mol*s)'), - n = 2.65082, - Ea = (38.2927, 'kJ/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(565.91,'cm^3/(mol*s)'), n=2.65082, Ea=(38.2927,'kJ/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction, kinetics calculated by Lawrence Lai""", + shortDesc = """Training reaction, kinetics calculated by Lawrence Lai""", longDesc = -u""" +""" Training reaction, kinetics calculated by Lawrence Lai under the CBS-QB3 level of theory, 2017 All hindered rotors included in B3LYP/CBSB7 level Toluene + C2H5 --> CCC1[CH]C=C(C)C=C1 @@ -57708,16 +38538,11 @@ index = 2880, label = "C7H8-5 + C2H5 <=> C9H13-79", degeneracy = 1.0, - kinetics = Arrhenius( - A = (22.0765, 'cm^3/(mol*s)'), - n = 2.98911, - Ea = (37.4992, 'kJ/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(22.0765,'cm^3/(mol*s)'), n=2.98911, Ea=(37.4992,'kJ/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction, kinetics calculated by Lawrence Lai""", + shortDesc = """Training reaction, kinetics calculated by Lawrence Lai""", longDesc = -u""" +""" Training reaction, kinetics calculated by Lawrence Lai under the CBS-QB3 level of theory, 2017 All hindered rotors included in B3LYP/CBSB7 level Toluene + C2H5 --> CCC1(C)[CH]C=CC=C1 @@ -57730,16 +38555,11 @@ index = 2881, label = "C7H8-27 + C7H7-3 <=> C14H15-40", degeneracy = 2.0, - kinetics = Arrhenius( - A = (333.522, 'cm^3/(mol*s)'), - n = 2.81143, - Ea = (52.4195, 'kJ/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(333.522,'cm^3/(mol*s)'), n=2.81143, Ea=(52.4195,'kJ/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction, kinetics calculated by Lawrence Lai""", + shortDesc = """Training reaction, kinetics calculated by Lawrence Lai""", longDesc = -u""" +""" Training reaction, kinetics calculated by Lawrence Lai under the CBS-QB3 level of theory, 2017 All hindered rotors included in B3LYP/CBSB7 level Toluene + Benzyl --> CC1[CH]C(C=CC=1)Cc1ccccc1 @@ -57752,16 +38572,11 @@ index = 2882, label = "C7H8-13 + C7H7-3 <=> C14H15-41", degeneracy = 2.0, - kinetics = Arrhenius( - A = (75.2016, 'cm^3/(mol*s)'), - n = 2.87538, - Ea = (47.3967, 'kJ/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(75.2016,'cm^3/(mol*s)'), n=2.87538, Ea=(47.3967,'kJ/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction, kinetics calculated by Lawrence Lai""", + shortDesc = """Training reaction, kinetics calculated by Lawrence Lai""", longDesc = -u""" +""" Training reaction, kinetics calculated by Lawrence Lai under the CBS-QB3 level of theory, 2017 All hindered rotors included in B3LYP/CBSB7 level Toluene + Benzyl --> CC1=CC=C[CH]C1Cc1ccccc1 @@ -57774,16 +38589,11 @@ index = 2883, label = "C7H8-29 + C7H7-3 <=> C14H15-42", degeneracy = 1.0, - kinetics = Arrhenius( - A = (203.185, 'cm^3/(mol*s)'), - n = 2.7789, - Ea = (51.957, 'kJ/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(203.185,'cm^3/(mol*s)'), n=2.7789, Ea=(51.957,'kJ/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction, kinetics calculated by Lawrence Lai""", + shortDesc = """Training reaction, kinetics calculated by Lawrence Lai""", longDesc = -u""" +""" Training reaction, kinetics calculated by Lawrence Lai under the CBS-QB3 level of theory, 2017 All hindered rotors included in B3LYP/CBSB7 level Toluene + Benzyl --> CC1C=CC([CH]C=1)Cc1ccccc1 @@ -57796,16 +38606,11 @@ index = 2884, label = "C7H8-5 + C7H7-3 <=> C14H15-43", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3.0143, 'cm^3/(mol*s)'), - n = 3.28044, - Ea = (49.7678, 'kJ/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(3.0143,'cm^3/(mol*s)'), n=3.28044, Ea=(49.7678,'kJ/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction, kinetics calculated by Lawrence Lai""", + shortDesc = """Training reaction, kinetics calculated by Lawrence Lai""", longDesc = -u""" +""" Training reaction, kinetics calculated by Lawrence Lai under the CBS-QB3 level of theory, 2017 All hindered rotors included in B3LYP/CBSB7 level Toluene + Benzyl --> CC1([CH]C=CC=C1)Cc1ccccc1 @@ -57818,16 +38623,11 @@ index = 2885, label = "C7H8-27 + C8H9 <=> C15H17-45", degeneracy = 2.0, - kinetics = Arrhenius( - A = (6.36177, 'cm^3/(mol*s)'), - n = 3.21235, - Ea = (47.2354, 'kJ/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(6.36177,'cm^3/(mol*s)'), n=3.21235, Ea=(47.2354,'kJ/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction, kinetics calculated by Lawrence Lai""", + shortDesc = """Training reaction, kinetics calculated by Lawrence Lai""", longDesc = -u""" +""" Training reaction, kinetics calculated by Lawrence Lai under the CBS-QB3 level of theory, 2017 All hindered rotors included in B3LYP/CBSB7 level Toluene + Ethylbenzyl --> CC1=CC=C[CH]C1C(C)c1ccccc1 @@ -57840,16 +38640,11 @@ index = 2886, label = "C7H8-13 + C8H9 <=> C15H17-46", degeneracy = 2.0, - kinetics = Arrhenius( - A = (9.9686, 'cm^3/(mol*s)'), - n = 3.05153, - Ea = (47.5686, 'kJ/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(9.9686,'cm^3/(mol*s)'), n=3.05153, Ea=(47.5686,'kJ/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction, kinetics calculated by Lawrence Lai""", + shortDesc = """Training reaction, kinetics calculated by Lawrence Lai""", longDesc = -u""" +""" Training reaction, kinetics calculated by Lawrence Lai under the CBS-QB3 level of theory, 2017 All hindered rotors included in B3LYP/CBSB7 level Toluene + Ethylbenzyl --> CC1[CH]C(C=CC=1)C(C)c1ccccc1 @@ -57862,16 +38657,11 @@ index = 2887, label = "C7H8-29 + C8H9 <=> C15H17-47", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3.8336, 'cm^3/(mol*s)'), - n = 3.1834, - Ea = (47.5562, 'kJ/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(3.8336,'cm^3/(mol*s)'), n=3.1834, Ea=(47.5562,'kJ/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction, kinetics calculated by Lawrence Lai""", + shortDesc = """Training reaction, kinetics calculated by Lawrence Lai""", longDesc = -u""" +""" Training reaction, kinetics calculated by Lawrence Lai under the CBS-QB3 level of theory, 2017 All hindered rotors included in B3LYP/CBSB7 level Toluene + Ethylbenzyl --> CC1C=CC([CH]C=1)C(C)c1ccccc1 @@ -57884,16 +38674,11 @@ index = 2888, label = "C7H8-5 + C8H9 <=> C15H17-48", degeneracy = 1.0, - kinetics = Arrhenius( - A = (0.0289968, 'cm^3/(mol*s)'), - n = 3.67504, - Ea = (50.8048, 'kJ/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(0.0289968,'cm^3/(mol*s)'), n=3.67504, Ea=(50.8048,'kJ/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction, kinetics calculated by Lawrence Lai""", + shortDesc = """Training reaction, kinetics calculated by Lawrence Lai""", longDesc = -u""" +""" Training reaction, kinetics calculated by Lawrence Lai under the CBS-QB3 level of theory, 2017 All hindered rotors included in B3LYP/CBSB7 level Toluene + Ethylbenzyl --> CC(c1ccccc1)C1(C)[CH]C=CC=C1 @@ -57905,15 +38690,8 @@ entry( index = 2889, label = "C6H5 + C8H10-7 <=> C14H15-44", - degeneracy = 1, - kinetics = Arrhenius( - A = (7.05685, 'cm^3/(mol*s)'), - n = 3.09388, - Ea = (8.15269, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (303.03, 'K'), - Tmax = (2500, 'K'), - ), + degeneracy = 1.0, + kinetics = Arrhenius(A=(7.05685,'cm^3/(mol*s)'), n=3.09388, Ea=(8.15269,'kJ/mol'), T0=(1,'K'), Tmin=(303.03,'K'), Tmax=(2500,'K')), reference = Article( authors = ['Lawrence Lai', 'Hao-Wei Pang', 'William H. Green'], title = 'Formation of 2-Ring Aromatics in Hexylbenzene Pyrolysis', @@ -57922,9 +38700,9 @@ ), referenceType = "theory", rank = 5, - shortDesc = u"Calculation performed by Lawrence Lai, 2019, CBS-QB3 level of theory", + shortDesc = """Calculation performed by Lawrence Lai, 2019, CBS-QB3 level of theory""", longDesc = -u""" +""" Location of calculations Pharos/home/laitcl/Gaussian/2019/ Calculations performed in CBS-QB3 level of theory, with 1-D hindered rotors included in B3LYP/CBSB7 level Reaction: C1=CC=CC=[C]1 (Phenyl Radical) + CCC1C=CC=CC=1 (Ethylbenzene) <=> C1=CC=C(C=C1)C(CC)1C=CC=C[CH]1 @@ -57934,15 +38712,8 @@ entry( index = 2890, label = "C2H5 + C12H10-3 <=> C14H15-55", - degeneracy = 2, - kinetics = Arrhenius( - A = (103.514, 'cm^3/(mol*s)'), - n = 2.90893, - Ea = (44.9425, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (303.03, 'K'), - Tmax = (2500, 'K'), - ), + degeneracy = 2.0, + kinetics = Arrhenius(A=(103.514,'cm^3/(mol*s)'), n=2.90893, Ea=(44.9425,'kJ/mol'), T0=(1,'K'), Tmin=(303.03,'K'), Tmax=(2500,'K')), reference = Article( authors = ['Lawrence Lai', 'Hao-Wei Pang', 'William H. Green'], title = 'Formation of 2-Ring Aromatics in Hexylbenzene Pyrolysis', @@ -57951,9 +38722,9 @@ ), referenceType = "theory", rank = 5, - shortDesc = u"Calculation performed by Lawrence Lai, 2019, CBS-QB3 level of theory", + shortDesc = """Calculation performed by Lawrence Lai, 2019, CBS-QB3 level of theory""", longDesc = -u""" +""" Location of calculations Pharos/home/laitcl/Gaussian/2019/ Calculations performed in CBS-QB3 level of theory, with 1-D hindered rotors included in B3LYP/CBSB7 level Reaction: C[CH2] (Ethyl Radical) + C1=CC=C(C=C1)C1C=CC=CC=1 (Biphenyl) <=> C1=CC=C(C=C1)C(CC)1C=CC=C[CH]1 @@ -57963,19 +38734,12 @@ entry( index = 2891, label = "C6H6-2 + CH3 <=> C7H9-72", - degeneracy = 6, - kinetics = Arrhenius( - A = (126531, 'cm^3/(mol*s)'), - n = 2.32659, - Ea = (42.0038, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (303.03, 'K'), - Tmax = (2500, 'K'), - ), + degeneracy = 6.0, + kinetics = Arrhenius(A=(126531,'cm^3/(mol*s)'), n=2.32659, Ea=(42.0038,'kJ/mol'), T0=(1,'K'), Tmin=(303.03,'K'), Tmax=(2500,'K')), rank = 5, - shortDesc = u"Calculation performed by Lawrence Lai, 2019, CBS-QB3 level of theory", + shortDesc = """Calculation performed by Lawrence Lai, 2019, CBS-QB3 level of theory""", longDesc = -u""" +""" Location of calculations Pharos/home/laitcl/Gaussian/2019/ Calculations performed in CBS-QB3 level of theory, with 1-D hindered rotors included in B3LYP/CBSB7 level Reaction: Benzene + Methyl Radical <=> CC1[CH]C=CC=C1 @@ -57986,10 +38750,9 @@ index = 2892, label = "CH3O-2 + CHN <=> OCCdNj_p", degeneracy = 1.0, - kinetics = Arrhenius(A=(3331.77,'cm^3/(mol*s)'), n=2.51948, Ea=(25.3754,'kJ/mol'), - T0=(1,'K'), Tmin=(300,'K'), Tmax=(3000,'K')), + kinetics = Arrhenius(A=(3331.77,'cm^3/(mol*s)'), n=2.51948, Ea=(25.3754,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(3000,'K')), rank = 4, - longDesc = + longDesc = """ Computed by Alon Grinberg Dana using ARC v1.1.0 (TS guess generated manually) @@ -58013,10 +38776,9 @@ index = 2893, label = "CH3O-2 + CHN-2 <=> OCNdCj_p", degeneracy = 1.0, - kinetics = Arrhenius(A=(1834.29,'cm^3/(mol*s)'), n=2.57866, Ea=(62.0185,'kJ/mol'), - T0=(1,'K'), Tmin=(300,'K'), Tmax=(3000,'K')), + kinetics = Arrhenius(A=(1834.29,'cm^3/(mol*s)'), n=2.57866, Ea=(62.0185,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(3000,'K')), rank = 4, - longDesc = + longDesc = """ Computed by Alon Grinberg Dana using ARC v1.1.0 (TS guess generated manually) @@ -58041,12 +38803,7 @@ index = 2894, label = "C22H13 + C2H2 <=> C24H15", degeneracy = 2.0, - kinetics = Arrhenius( - A = (426900, 'cm^3/(mol*s)'), - n = 2.28, - Ea = (1.214, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(426900,'cm^3/(mol*s)'), n=2.28, Ea=(1.214,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ["'M. Frenklach'", "'R. I. Singh'", "'A. M. Mebel'"], title = 'On the low-temperature limit of HACA', @@ -58057,9 +38814,9 @@ ), referenceType = "theory", rank = 5, - shortDesc = u"""G3(MP2,CC)//B3LYP/6-311G(d,p) level""", - longDesc = -u""" + shortDesc = """G3(MP2,CC)//B3LYP/6-311G(d,p) level""", + longDesc = +""" Quantum chemistry calculations at the G3(MP2,CC)//B3LYP/6-311G(d,p) level. Training reaction from kinetics library: Frenklach2019_ProcCombInst_HighP_Pentacyl Original entry: R1 + C2H2 <=> W1 @@ -58070,12 +38827,7 @@ index = 2895, label = "H + C24H14 <=> C24H15-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.547e+09, 'cm^3/(mol*s)'), - n = 1.439, - Ea = (5.682, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(1.547e+09,'cm^3/(mol*s)'), n=1.439, Ea=(5.682,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ["'M. Frenklach'", "'R. I. Singh'", "'A. M. Mebel'"], title = 'On the low-temperature limit of HACA', @@ -58086,9 +38838,9 @@ ), referenceType = "theory", rank = 5, - shortDesc = u"""G3(MP2,CC)//B3LYP/6-311G(d,p) level""", - longDesc = -u""" + shortDesc = """G3(MP2,CC)//B3LYP/6-311G(d,p) level""", + longDesc = +""" Quantum chemistry calculations at the G3(MP2,CC)//B3LYP/6-311G(d,p) level. Training reaction from kinetics library: Frenklach2019_ProcCombInst_HighP_Pentacyl Original entry: Pentacyl-C2H + H <=> W1 @@ -58099,15 +38851,10 @@ index = 2896, label = "C14H9 + C2H2 <=> C16H11", degeneracy = 2.0, - kinetics = Arrhenius( - A = (74980, 'cm^3/(mol*s)'), - n = 2.362, - Ea = (4.389, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(74980,'cm^3/(mol*s)'), n=2.362, Ea=(4.389,'kcal/mol'), T0=(1,'K')), rank = 5, longDesc = -u""" +""" Training reaction from kinetics library: Frenklach2019_ProcCombInst_HighP_Phenanthryl Original entry: R1 + C2H2 <=> W1 """, @@ -58117,15 +38864,10 @@ index = 2897, label = "H + C16H10 <=> C16H11-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.088e+09, 'cm^3/(mol*s)'), - n = 1.419, - Ea = (5.862, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(1.088e+09,'cm^3/(mol*s)'), n=1.419, Ea=(5.862,'kcal/mol'), T0=(1,'K')), rank = 5, longDesc = -u""" +""" Training reaction from kinetics library: Frenklach2019_ProcCombInst_HighP_Phenanthryl Original entry: Phenanthryl-C2H + H <=> W1 """, @@ -58135,15 +38877,10 @@ index = 2898, label = "H + C16H10-2 <=> C16H11-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3.034e+08, 'cm^3/(mol*s)'), - n = 1.546, - Ea = (3.446, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(3.034e+08,'cm^3/(mol*s)'), n=1.546, Ea=(3.446,'kcal/mol'), T0=(1,'K')), rank = 5, longDesc = -u""" +""" Training reaction from kinetics library: Frenklach2019_ProcCombInst_HighP_Phenanthryl Original entry: Phenanthryl-C2H + H <=> W3 """, @@ -58153,15 +38890,10 @@ index = 2899, label = "H + C16H10-3 <=> C16H11-4", degeneracy = 4.0, - kinetics = Arrhenius( - A = (3.732e+08, 'cm^3/(mol*s)'), - n = 1.656, - Ea = (8.022, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(3.732e+08,'cm^3/(mol*s)'), n=1.656, Ea=(8.022,'kcal/mol'), T0=(1,'K')), rank = 5, longDesc = -u""" +""" Training reaction from kinetics library: Frenklach2019_ProcCombInst_HighP_Phenanthryl Original entry: Pyrene + H <=> W2 """, @@ -58171,15 +38903,10 @@ index = 2900, label = "H + C16H10-4 <=> C16H11-5", degeneracy = 4.0, - kinetics = Arrhenius( - A = (2.016e+09, 'cm^3/(mol*s)'), - n = 1.538, - Ea = (3.436, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(2.016e+09,'cm^3/(mol*s)'), n=1.538, Ea=(3.436,'kcal/mol'), T0=(1,'K')), rank = 5, longDesc = -u""" +""" Training reaction from kinetics library: Frenklach2019_ProcCombInst_HighP_Phenanthryl Original entry: Pyrene + H <=> W5 """, @@ -58189,21 +38916,14 @@ index = 2901, label = "C6H5 + C6H6-2 <=> C12H11-16", degeneracy = 6.0, - kinetics = Arrhenius( - A = (9.55e+11, 'cm^3/(mol*s)'), - n = 0, - Ea = (2.52, 'kcal/mol'), - T0 = (1, 'K'), - Tmin = (298, 'K'), - Tmax = (1330, 'K'), - ), + kinetics = Arrhenius(A=(9.55e+11,'cm^3/(mol*s)'), n=0, Ea=(2.52,'kcal/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(1330,'K')), rank = 3, - shortDesc = u"""Fitted to experimental data for phenyl + benzene""", + shortDesc = """Fitted to experimental data for phenyl + benzene""", longDesc = -u""" +""" Park, J.; Burova, S.; Rodgers, A. S.; Lin, M. C. Experimental and Theoretical Studies of the C6H5 + C6H6 Reaction. -J. Phys. Chem. A 1999, 103 (45), 9036–9041. +J. Phys. Chem. A 1999, 103 (45), 9036–9041. """, ) @@ -58211,15 +38931,10 @@ index = 2902, label = "CH3 + C2H4 <=> C3H7", degeneracy = 2.0, - kinetics = Arrhenius( - A = (861, 'cm^3/(mol*s)'), - n = 2.988, - Ea = (7.238, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(861,'cm^3/(mol*s)'), n=2.988, Ea=(7.238,'kcal/mol'), T0=(1,'K')), reference = Article( - authors = ['Long Zhao','Tao Yang','Ralf I. Kaiser','Tyler P. Troy','Musahid Ahmed','Joao Marcelo Ribeiro','Daniel Belisario-Lara','Alexander M. Mebel'], - title = 'Combined Experimental and Computational Study on the Unimolecular Decomposition of JP‑8 Jet Fuel Surrogates. II: n‑Dodecane (n‑C12H26)', + authors = ['Long Zhao', 'Tao Yang', 'Ralf I. Kaiser', 'Tyler P. Troy', 'Musahid Ahmed', 'Joao Marcelo Ribeiro', 'Daniel Belisario-Lara', 'Alexander M. Mebel'], + title = 'Combined Experimental and Computational Study on the Unimolecular Decomposition of JPâ\x80\x918 Jet Fuel Surrogates. II: nâ\x80\x91Dodecane (nâ\x80\x91C12H26)', journal = 'J. Phys. Chem. A', pages = '1281-1297', year = '2017', @@ -58227,8 +38942,8 @@ ), rank = 6, longDesc = -u""" -Electronic structure calculations carried out at the G3(CCSD,MP2)//B3LYP/6-311G(d,p) level of theory. No hindered rotors were considered; however, the error bar is estimated to be 8−41% at 1000 K and by only 2−25% at 1600 K +""" +Electronic structure calculations carried out at the G3(CCSD,MP2)//B3LYP/6-311G(d,p) level of theory. No hindered rotors were considered; however, the error bar is estimated to be 8−41% at 1000 K and by only 2−25% at 1600 K """, ) @@ -58236,15 +38951,10 @@ index = 2903, label = "C2H5 + C2H4 <=> C4H9-2", degeneracy = 2.0, - kinetics = Arrhenius( - A = (36.28, 'cm^3/(mol*s)'), - n = 2.997, - Ea = (6.866, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(36.28,'cm^3/(mol*s)'), n=2.997, Ea=(6.866,'kcal/mol'), T0=(1,'K')), reference = Article( - authors = ['Long Zhao','Tao Yang','Ralf I. Kaiser','Tyler P. Troy','Musahid Ahmed','Joao Marcelo Ribeiro','Daniel Belisario-Lara','Alexander M. Mebel'], - title = 'Combined Experimental and Computational Study on the Unimolecular Decomposition of JP‑8 Jet Fuel Surrogates. II: n‑Dodecane (n‑C12H26)', + authors = ['Long Zhao', 'Tao Yang', 'Ralf I. Kaiser', 'Tyler P. Troy', 'Musahid Ahmed', 'Joao Marcelo Ribeiro', 'Daniel Belisario-Lara', 'Alexander M. Mebel'], + title = 'Combined Experimental and Computational Study on the Unimolecular Decomposition of JPâ\x80\x918 Jet Fuel Surrogates. II: nâ\x80\x91Dodecane (nâ\x80\x91C12H26)', journal = 'J. Phys. Chem. A', pages = '1281-1297', year = '2017', @@ -58252,8 +38962,8 @@ ), rank = 6, longDesc = -u""" -Electronic structure calculations carried out at the G3(CCSD,MP2)//B3LYP/6-311G(d,p) level of theory. No hindered rotors were considered; however, the error bar is estimated to be 8−41% at 1000 K and by only 2−25% at 1600 K +""" +Electronic structure calculations carried out at the G3(CCSD,MP2)//B3LYP/6-311G(d,p) level of theory. No hindered rotors were considered; however, the error bar is estimated to be 8−41% at 1000 K and by only 2−25% at 1600 K """, ) @@ -58261,15 +38971,10 @@ index = 2904, label = "C3H7-5 + C2H4 <=> C5H11-9", degeneracy = 2.0, - kinetics = Arrhenius( - A = (20.13, 'cm^3/(mol*s)'), - n = 3.003, - Ea = (6.486, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(20.13,'cm^3/(mol*s)'), n=3.003, Ea=(6.486,'kcal/mol'), T0=(1,'K')), reference = Article( - authors = ['Long Zhao','Tao Yang','Ralf I. Kaiser','Tyler P. Troy','Musahid Ahmed','Joao Marcelo Ribeiro','Daniel Belisario-Lara','Alexander M. Mebel'], - title = 'Combined Experimental and Computational Study on the Unimolecular Decomposition of JP‑8 Jet Fuel Surrogates. II: n‑Dodecane (n‑C12H26)', + authors = ['Long Zhao', 'Tao Yang', 'Ralf I. Kaiser', 'Tyler P. Troy', 'Musahid Ahmed', 'Joao Marcelo Ribeiro', 'Daniel Belisario-Lara', 'Alexander M. Mebel'], + title = 'Combined Experimental and Computational Study on the Unimolecular Decomposition of JPâ\x80\x918 Jet Fuel Surrogates. II: nâ\x80\x91Dodecane (nâ\x80\x91C12H26)', journal = 'J. Phys. Chem. A', pages = '1281-1297', year = '2017', @@ -58277,8 +38982,8 @@ ), rank = 6, longDesc = -u""" -Electronic structure calculations carried out at the G3(CCSD,MP2)//B3LYP/6-311G(d,p) level of theory. No hindered rotors were considered; however, the error bar is estimated to be 8−41% at 1000 K and by only 2−25% at 1600 K +""" +Electronic structure calculations carried out at the G3(CCSD,MP2)//B3LYP/6-311G(d,p) level of theory. No hindered rotors were considered; however, the error bar is estimated to be 8−41% at 1000 K and by only 2−25% at 1600 K """, ) @@ -58286,15 +38991,10 @@ index = 2905, label = "C4H9-1 + C2H4 <=> C6H13-10", degeneracy = 2.0, - kinetics = Arrhenius( - A = (27.08, 'cm^3/(mol*s)'), - n = 2.995, - Ea = (6.503, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(27.08,'cm^3/(mol*s)'), n=2.995, Ea=(6.503,'kcal/mol'), T0=(1,'K')), reference = Article( - authors = ['Long Zhao','Tao Yang','Ralf I. Kaiser','Tyler P. Troy','Musahid Ahmed','Joao Marcelo Ribeiro','Daniel Belisario-Lara','Alexander M. Mebel'], - title = 'Combined Experimental and Computational Study on the Unimolecular Decomposition of JP‑8 Jet Fuel Surrogates. II: n‑Dodecane (n‑C12H26)', + authors = ['Long Zhao', 'Tao Yang', 'Ralf I. Kaiser', 'Tyler P. Troy', 'Musahid Ahmed', 'Joao Marcelo Ribeiro', 'Daniel Belisario-Lara', 'Alexander M. Mebel'], + title = 'Combined Experimental and Computational Study on the Unimolecular Decomposition of JPâ\x80\x918 Jet Fuel Surrogates. II: nâ\x80\x91Dodecane (nâ\x80\x91C12H26)', journal = 'J. Phys. Chem. A', pages = '1281-1297', year = '2017', @@ -58302,8 +39002,8 @@ ), rank = 6, longDesc = -u""" -Electronic structure calculations carried out at the G3(CCSD,MP2)//B3LYP/6-311G(d,p) level of theory. No hindered rotors were considered; however, the error bar is estimated to be 8−41% at 1000 K and by only 2−25% at 1600 K +""" +Electronic structure calculations carried out at the G3(CCSD,MP2)//B3LYP/6-311G(d,p) level of theory. No hindered rotors were considered; however, the error bar is estimated to be 8−41% at 1000 K and by only 2−25% at 1600 K """, ) @@ -58311,15 +39011,10 @@ index = 2906, label = "C5H11-10 + C2H4 <=> C7H15-9", degeneracy = 2.0, - kinetics = Arrhenius( - A = (25.8, 'cm^3/(mol*s)'), - n = 3.014, - Ea = (6.441, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(25.8,'cm^3/(mol*s)'), n=3.014, Ea=(6.441,'kcal/mol'), T0=(1,'K')), reference = Article( - authors = ['Long Zhao','Tao Yang','Ralf I. Kaiser','Tyler P. Troy','Musahid Ahmed','Joao Marcelo Ribeiro','Daniel Belisario-Lara','Alexander M. Mebel'], - title = 'Combined Experimental and Computational Study on the Unimolecular Decomposition of JP‑8 Jet Fuel Surrogates. II: n‑Dodecane (n‑C12H26)', + authors = ['Long Zhao', 'Tao Yang', 'Ralf I. Kaiser', 'Tyler P. Troy', 'Musahid Ahmed', 'Joao Marcelo Ribeiro', 'Daniel Belisario-Lara', 'Alexander M. Mebel'], + title = 'Combined Experimental and Computational Study on the Unimolecular Decomposition of JPâ\x80\x918 Jet Fuel Surrogates. II: nâ\x80\x91Dodecane (nâ\x80\x91C12H26)', journal = 'J. Phys. Chem. A', pages = '1281-1297', year = '2017', @@ -58327,23 +39022,19 @@ ), rank = 6, longDesc = -u""" -Electronic structure calculations carried out at the G3(CCSD,MP2)//B3LYP/6-311G(d,p) level of theory. No hindered rotors were considered; however, the error bar is estimated to be 8−41% at 1000 K and by only 2−25% at 1600 K +""" +Electronic structure calculations carried out at the G3(CCSD,MP2)//B3LYP/6-311G(d,p) level of theory. No hindered rotors were considered; however, the error bar is estimated to be 8−41% at 1000 K and by only 2−25% at 1600 K """, ) + entry( index = 2907, label = "C6H13-11 + C2H4 <=> C8H17-7", degeneracy = 2.0, - kinetics = Arrhenius( - A = (19.35, 'cm^3/(mol*s)'), - n = 3.009, - Ea = (6.429, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(19.35,'cm^3/(mol*s)'), n=3.009, Ea=(6.429,'kcal/mol'), T0=(1,'K')), reference = Article( - authors = ['Long Zhao','Tao Yang','Ralf I. Kaiser','Tyler P. Troy','Musahid Ahmed','Joao Marcelo Ribeiro','Daniel Belisario-Lara','Alexander M. Mebel'], - title = 'Combined Experimental and Computational Study on the Unimolecular Decomposition of JP‑8 Jet Fuel Surrogates. II: n‑Dodecane (n‑C12H26)', + authors = ['Long Zhao', 'Tao Yang', 'Ralf I. Kaiser', 'Tyler P. Troy', 'Musahid Ahmed', 'Joao Marcelo Ribeiro', 'Daniel Belisario-Lara', 'Alexander M. Mebel'], + title = 'Combined Experimental and Computational Study on the Unimolecular Decomposition of JPâ\x80\x918 Jet Fuel Surrogates. II: nâ\x80\x91Dodecane (nâ\x80\x91C12H26)', journal = 'J. Phys. Chem. A', pages = '1281-1297', year = '2017', @@ -58351,8 +39042,8 @@ ), rank = 6, longDesc = -u""" -Electronic structure calculations carried out at the G3(CCSD,MP2)//B3LYP/6-311G(d,p) level of theory. No hindered rotors were considered; however, the error bar is estimated to be 8−41% at 1000 K and by only 2−25% at 1600 K +""" +Electronic structure calculations carried out at the G3(CCSD,MP2)//B3LYP/6-311G(d,p) level of theory. No hindered rotors were considered; however, the error bar is estimated to be 8−41% at 1000 K and by only 2−25% at 1600 K """, ) @@ -58360,15 +39051,10 @@ index = 2908, label = "C7H15-10 + C2H4 <=> C9H19-4", degeneracy = 2.0, - kinetics = Arrhenius( - A = (21.89, 'cm^3/(mol*s)'), - n = 3.015, - Ea = (6.396, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(21.89,'cm^3/(mol*s)'), n=3.015, Ea=(6.396,'kcal/mol'), T0=(1,'K')), reference = Article( - authors = ['Long Zhao','Tao Yang','Ralf I. Kaiser','Tyler P. Troy','Musahid Ahmed','Joao Marcelo Ribeiro','Daniel Belisario-Lara','Alexander M. Mebel'], - title = 'Combined Experimental and Computational Study on the Unimolecular Decomposition of JP‑8 Jet Fuel Surrogates. II: n‑Dodecane (n‑C12H26)', + authors = ['Long Zhao', 'Tao Yang', 'Ralf I. Kaiser', 'Tyler P. Troy', 'Musahid Ahmed', 'Joao Marcelo Ribeiro', 'Daniel Belisario-Lara', 'Alexander M. Mebel'], + title = 'Combined Experimental and Computational Study on the Unimolecular Decomposition of JPâ\x80\x918 Jet Fuel Surrogates. II: nâ\x80\x91Dodecane (nâ\x80\x91C12H26)', journal = 'J. Phys. Chem. A', pages = '1281-1297', year = '2017', @@ -58376,8 +39062,8 @@ ), rank = 6, longDesc = -u""" -Electronic structure calculations carried out at the G3(CCSD,MP2)//B3LYP/6-311G(d,p) level of theory. No hindered rotors were considered; however, the error bar is estimated to be 8−41% at 1000 K and by only 2−25% at 1600 K +""" +Electronic structure calculations carried out at the G3(CCSD,MP2)//B3LYP/6-311G(d,p) level of theory. No hindered rotors were considered; however, the error bar is estimated to be 8−41% at 1000 K and by only 2−25% at 1600 K """, ) @@ -58385,15 +39071,10 @@ index = 2909, label = "C8H17-8 + C2H4 <=> C10H21-2", degeneracy = 2.0, - kinetics = Arrhenius( - A = (18.44, 'cm^3/(mol*s)'), - n = 3.009, - Ea = (6.446, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(18.44,'cm^3/(mol*s)'), n=3.009, Ea=(6.446,'kcal/mol'), T0=(1,'K')), reference = Article( - authors = ['Long Zhao','Tao Yang','Ralf I. Kaiser','Tyler P. Troy','Musahid Ahmed','Joao Marcelo Ribeiro','Daniel Belisario-Lara','Alexander M. Mebel'], - title = 'Combined Experimental and Computational Study on the Unimolecular Decomposition of JP‑8 Jet Fuel Surrogates. II: n‑Dodecane (n‑C12H26)', + authors = ['Long Zhao', 'Tao Yang', 'Ralf I. Kaiser', 'Tyler P. Troy', 'Musahid Ahmed', 'Joao Marcelo Ribeiro', 'Daniel Belisario-Lara', 'Alexander M. Mebel'], + title = 'Combined Experimental and Computational Study on the Unimolecular Decomposition of JPâ\x80\x918 Jet Fuel Surrogates. II: nâ\x80\x91Dodecane (nâ\x80\x91C12H26)', journal = 'J. Phys. Chem. A', pages = '1281-1297', year = '2017', @@ -58401,8 +39082,8 @@ ), rank = 6, longDesc = -u""" -Electronic structure calculations carried out at the G3(CCSD,MP2)//B3LYP/6-311G(d,p) level of theory. No hindered rotors were considered; however, the error bar is estimated to be 8−41% at 1000 K and by only 2−25% at 1600 K +""" +Electronic structure calculations carried out at the G3(CCSD,MP2)//B3LYP/6-311G(d,p) level of theory. No hindered rotors were considered; however, the error bar is estimated to be 8−41% at 1000 K and by only 2−25% at 1600 K """, ) @@ -58410,15 +39091,10 @@ index = 2910, label = "C10H21-3 + C2H4 <=> C12H25", degeneracy = 2.0, - kinetics = Arrhenius( - A = (17.9, 'cm^3/(mol*s)'), - n = 3.012, - Ea = (6.454, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(17.9,'cm^3/(mol*s)'), n=3.012, Ea=(6.454,'kcal/mol'), T0=(1,'K')), reference = Article( - authors = ['Long Zhao','Tao Yang','Ralf I. Kaiser','Tyler P. Troy','Musahid Ahmed','Joao Marcelo Ribeiro','Daniel Belisario-Lara','Alexander M. Mebel'], - title = 'Combined Experimental and Computational Study on the Unimolecular Decomposition of JP‑8 Jet Fuel Surrogates. II: n‑Dodecane (n‑C12H26)', + authors = ['Long Zhao', 'Tao Yang', 'Ralf I. Kaiser', 'Tyler P. Troy', 'Musahid Ahmed', 'Joao Marcelo Ribeiro', 'Daniel Belisario-Lara', 'Alexander M. Mebel'], + title = 'Combined Experimental and Computational Study on the Unimolecular Decomposition of JPâ\x80\x918 Jet Fuel Surrogates. II: nâ\x80\x91Dodecane (nâ\x80\x91C12H26)', journal = 'J. Phys. Chem. A', pages = '1281-1297', year = '2017', @@ -58426,8 +39102,8 @@ ), rank = 6, longDesc = -u""" -Electronic structure calculations carried out at the G3(CCSD,MP2)//B3LYP/6-311G(d,p) level of theory. No hindered rotors were considered; however, the error bar is estimated to be 8−41% at 1000 K and by only 2−25% at 1600 K +""" +Electronic structure calculations carried out at the G3(CCSD,MP2)//B3LYP/6-311G(d,p) level of theory. No hindered rotors were considered; however, the error bar is estimated to be 8−41% at 1000 K and by only 2−25% at 1600 K """, ) @@ -58435,15 +39111,10 @@ index = 2911, label = "C9H19-5 + propene_1 <=> C12H25-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5.808, 'cm^3/(mol*s)'), - n = 2.985, - Ea = (6.156, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(5.808,'cm^3/(mol*s)'), n=2.985, Ea=(6.156,'kcal/mol'), T0=(1,'K')), reference = Article( - authors = ['Long Zhao','Tao Yang','Ralf I. Kaiser','Tyler P. Troy','Musahid Ahmed','Joao Marcelo Ribeiro','Daniel Belisario-Lara','Alexander M. Mebel'], - title = 'Combined Experimental and Computational Study on the Unimolecular Decomposition of JP‑8 Jet Fuel Surrogates. II: n‑Dodecane (n‑C12H26)', + authors = ['Long Zhao', 'Tao Yang', 'Ralf I. Kaiser', 'Tyler P. Troy', 'Musahid Ahmed', 'Joao Marcelo Ribeiro', 'Daniel Belisario-Lara', 'Alexander M. Mebel'], + title = 'Combined Experimental and Computational Study on the Unimolecular Decomposition of JPâ\x80\x918 Jet Fuel Surrogates. II: nâ\x80\x91Dodecane (nâ\x80\x91C12H26)', journal = 'J. Phys. Chem. A', pages = '1281-1297', year = '2017', @@ -58451,8 +39122,8 @@ ), rank = 6, longDesc = -u""" -Electronic structure calculations carried out at the G3(CCSD,MP2)//B3LYP/6-311G(d,p) level of theory. No hindered rotors were considered; however, the error bar is estimated to be 8−41% at 1000 K and by only 2−25% at 1600 K +""" +Electronic structure calculations carried out at the G3(CCSD,MP2)//B3LYP/6-311G(d,p) level of theory. No hindered rotors were considered; however, the error bar is estimated to be 8−41% at 1000 K and by only 2−25% at 1600 K """, ) @@ -58460,15 +39131,10 @@ index = 2912, label = "CH3 + C11H22 <=> C12H25-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (607.5, 'cm^3/(mol*s)'), - n = 2.969, - Ea = (6.95, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(607.5,'cm^3/(mol*s)'), n=2.969, Ea=(6.95,'kcal/mol'), T0=(1,'K')), reference = Article( - authors = ['Long Zhao','Tao Yang','Ralf I. Kaiser','Tyler P. Troy','Musahid Ahmed','Joao Marcelo Ribeiro','Daniel Belisario-Lara','Alexander M. Mebel'], - title = 'Combined Experimental and Computational Study on the Unimolecular Decomposition of JP‑8 Jet Fuel Surrogates. II: n‑Dodecane (n‑C12H26)', + authors = ['Long Zhao', 'Tao Yang', 'Ralf I. Kaiser', 'Tyler P. Troy', 'Musahid Ahmed', 'Joao Marcelo Ribeiro', 'Daniel Belisario-Lara', 'Alexander M. Mebel'], + title = 'Combined Experimental and Computational Study on the Unimolecular Decomposition of JPâ\x80\x918 Jet Fuel Surrogates. II: nâ\x80\x91Dodecane (nâ\x80\x91C12H26)', journal = 'J. Phys. Chem. A', pages = '1281-1297', year = '2017', @@ -58476,8 +39142,8 @@ ), rank = 6, longDesc = -u""" -Electronic structure calculations carried out at the G3(CCSD,MP2)//B3LYP/6-311G(d,p) level of theory. No hindered rotors were considered; however, the error bar is estimated to be 8−41% at 1000 K and by only 2−25% at 1600 K +""" +Electronic structure calculations carried out at the G3(CCSD,MP2)//B3LYP/6-311G(d,p) level of theory. No hindered rotors were considered; however, the error bar is estimated to be 8−41% at 1000 K and by only 2−25% at 1600 K """, ) @@ -58485,15 +39151,10 @@ index = 2913, label = "C8H17-8 + butene1_1 <=> C12H25-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7.15, 'cm^3/(mol*s)'), - n = 2.992, - Ea = (6.26, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(7.15,'cm^3/(mol*s)'), n=2.992, Ea=(6.26,'kcal/mol'), T0=(1,'K')), reference = Article( - authors = ['Long Zhao','Tao Yang','Ralf I. Kaiser','Tyler P. Troy','Musahid Ahmed','Joao Marcelo Ribeiro','Daniel Belisario-Lara','Alexander M. Mebel'], - title = 'Combined Experimental and Computational Study on the Unimolecular Decomposition of JP‑8 Jet Fuel Surrogates. II: n‑Dodecane (n‑C12H26)', + authors = ['Long Zhao', 'Tao Yang', 'Ralf I. Kaiser', 'Tyler P. Troy', 'Musahid Ahmed', 'Joao Marcelo Ribeiro', 'Daniel Belisario-Lara', 'Alexander M. Mebel'], + title = 'Combined Experimental and Computational Study on the Unimolecular Decomposition of JPâ\x80\x918 Jet Fuel Surrogates. II: nâ\x80\x91Dodecane (nâ\x80\x91C12H26)', journal = 'J. Phys. Chem. A', pages = '1281-1297', year = '2017', @@ -58501,8 +39162,8 @@ ), rank = 6, longDesc = -u""" -Electronic structure calculations carried out at the G3(CCSD,MP2)//B3LYP/6-311G(d,p) level of theory. No hindered rotors were considered; however, the error bar is estimated to be 8−41% at 1000 K and by only 2−25% at 1600 K +""" +Electronic structure calculations carried out at the G3(CCSD,MP2)//B3LYP/6-311G(d,p) level of theory. No hindered rotors were considered; however, the error bar is estimated to be 8−41% at 1000 K and by only 2−25% at 1600 K """, ) @@ -58510,15 +39171,10 @@ index = 2914, label = "C2H5 + C10H20 <=> C12H25-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6.816, 'cm^3/(mol*s)'), - n = 2.961, - Ea = (6.743, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(6.816,'cm^3/(mol*s)'), n=2.961, Ea=(6.743,'kcal/mol'), T0=(1,'K')), reference = Article( - authors = ['Long Zhao','Tao Yang','Ralf I. Kaiser','Tyler P. Troy','Musahid Ahmed','Joao Marcelo Ribeiro','Daniel Belisario-Lara','Alexander M. Mebel'], - title = 'Combined Experimental and Computational Study on the Unimolecular Decomposition of JP‑8 Jet Fuel Surrogates. II: n‑Dodecane (n‑C12H26)', + authors = ['Long Zhao', 'Tao Yang', 'Ralf I. Kaiser', 'Tyler P. Troy', 'Musahid Ahmed', 'Joao Marcelo Ribeiro', 'Daniel Belisario-Lara', 'Alexander M. Mebel'], + title = 'Combined Experimental and Computational Study on the Unimolecular Decomposition of JPâ\x80\x918 Jet Fuel Surrogates. II: nâ\x80\x91Dodecane (nâ\x80\x91C12H26)', journal = 'J. Phys. Chem. A', pages = '1281-1297', year = '2017', @@ -58526,8 +39182,8 @@ ), rank = 6, longDesc = -u""" -Electronic structure calculations carried out at the G3(CCSD,MP2)//B3LYP/6-311G(d,p) level of theory. No hindered rotors were considered; however, the error bar is estimated to be 8−41% at 1000 K and by only 2−25% at 1600 K +""" +Electronic structure calculations carried out at the G3(CCSD,MP2)//B3LYP/6-311G(d,p) level of theory. No hindered rotors were considered; however, the error bar is estimated to be 8−41% at 1000 K and by only 2−25% at 1600 K """, ) @@ -58535,15 +39191,10 @@ index = 2915, label = "C7H15-10 + C5H10-3 <=> C12H25-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5.836, 'cm^3/(mol*s)'), - n = 2.984, - Ea = (6.311, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(5.836,'cm^3/(mol*s)'), n=2.984, Ea=(6.311,'kcal/mol'), T0=(1,'K')), reference = Article( - authors = ['Long Zhao','Tao Yang','Ralf I. Kaiser','Tyler P. Troy','Musahid Ahmed','Joao Marcelo Ribeiro','Daniel Belisario-Lara','Alexander M. Mebel'], - title = 'Combined Experimental and Computational Study on the Unimolecular Decomposition of JP‑8 Jet Fuel Surrogates. II: n‑Dodecane (n‑C12H26)', + authors = ['Long Zhao', 'Tao Yang', 'Ralf I. Kaiser', 'Tyler P. Troy', 'Musahid Ahmed', 'Joao Marcelo Ribeiro', 'Daniel Belisario-Lara', 'Alexander M. Mebel'], + title = 'Combined Experimental and Computational Study on the Unimolecular Decomposition of JPâ\x80\x918 Jet Fuel Surrogates. II: nâ\x80\x91Dodecane (nâ\x80\x91C12H26)', journal = 'J. Phys. Chem. A', pages = '1281-1297', year = '2017', @@ -58551,8 +39202,8 @@ ), rank = 6, longDesc = -u""" -Electronic structure calculations carried out at the G3(CCSD,MP2)//B3LYP/6-311G(d,p) level of theory. No hindered rotors were considered; however, the error bar is estimated to be 8−41% at 1000 K and by only 2−25% at 1600 K +""" +Electronic structure calculations carried out at the G3(CCSD,MP2)//B3LYP/6-311G(d,p) level of theory. No hindered rotors were considered; however, the error bar is estimated to be 8−41% at 1000 K and by only 2−25% at 1600 K """, ) @@ -58560,15 +39211,10 @@ index = 2916, label = "C3H7-5 + C9H18 <=> C12H25-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3.773, 'cm^3/(mol*s)'), - n = 2.984, - Ea = (6.363, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(3.773,'cm^3/(mol*s)'), n=2.984, Ea=(6.363,'kcal/mol'), T0=(1,'K')), reference = Article( - authors = ['Long Zhao','Tao Yang','Ralf I. Kaiser','Tyler P. Troy','Musahid Ahmed','Joao Marcelo Ribeiro','Daniel Belisario-Lara','Alexander M. Mebel'], - title = 'Combined Experimental and Computational Study on the Unimolecular Decomposition of JP‑8 Jet Fuel Surrogates. II: n‑Dodecane (n‑C12H26)', + authors = ['Long Zhao', 'Tao Yang', 'Ralf I. Kaiser', 'Tyler P. Troy', 'Musahid Ahmed', 'Joao Marcelo Ribeiro', 'Daniel Belisario-Lara', 'Alexander M. Mebel'], + title = 'Combined Experimental and Computational Study on the Unimolecular Decomposition of JPâ\x80\x918 Jet Fuel Surrogates. II: nâ\x80\x91Dodecane (nâ\x80\x91C12H26)', journal = 'J. Phys. Chem. A', pages = '1281-1297', year = '2017', @@ -58576,8 +39222,8 @@ ), rank = 6, longDesc = -u""" -Electronic structure calculations carried out at the G3(CCSD,MP2)//B3LYP/6-311G(d,p) level of theory. No hindered rotors were considered; however, the error bar is estimated to be 8−41% at 1000 K and by only 2−25% at 1600 K +""" +Electronic structure calculations carried out at the G3(CCSD,MP2)//B3LYP/6-311G(d,p) level of theory. No hindered rotors were considered; however, the error bar is estimated to be 8−41% at 1000 K and by only 2−25% at 1600 K """, ) @@ -58585,15 +39231,10 @@ index = 2917, label = "C6H13-11 + C6H12-2 <=> C12H25-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6.462, 'cm^3/(mol*s)'), - n = 2.987, - Ea = (6.32, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(6.462,'cm^3/(mol*s)'), n=2.987, Ea=(6.32,'kcal/mol'), T0=(1,'K')), reference = Article( - authors = ['Long Zhao','Tao Yang','Ralf I. Kaiser','Tyler P. Troy','Musahid Ahmed','Joao Marcelo Ribeiro','Daniel Belisario-Lara','Alexander M. Mebel'], - title = 'Combined Experimental and Computational Study on the Unimolecular Decomposition of JP‑8 Jet Fuel Surrogates. II: n‑Dodecane (n‑C12H26)', + authors = ['Long Zhao', 'Tao Yang', 'Ralf I. Kaiser', 'Tyler P. Troy', 'Musahid Ahmed', 'Joao Marcelo Ribeiro', 'Daniel Belisario-Lara', 'Alexander M. Mebel'], + title = 'Combined Experimental and Computational Study on the Unimolecular Decomposition of JPâ\x80\x918 Jet Fuel Surrogates. II: nâ\x80\x91Dodecane (nâ\x80\x91C12H26)', journal = 'J. Phys. Chem. A', pages = '1281-1297', year = '2017', @@ -58601,8 +39242,8 @@ ), rank = 6, longDesc = -u""" -Electronic structure calculations carried out at the G3(CCSD,MP2)//B3LYP/6-311G(d,p) level of theory. No hindered rotors were considered; however, the error bar is estimated to be 8−41% at 1000 K and by only 2−25% at 1600 K +""" +Electronic structure calculations carried out at the G3(CCSD,MP2)//B3LYP/6-311G(d,p) level of theory. No hindered rotors were considered; however, the error bar is estimated to be 8−41% at 1000 K and by only 2−25% at 1600 K """, ) @@ -58610,15 +39251,10 @@ index = 2918, label = "C4H9-1 + C8H16 <=> C12H25-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5.406, 'cm^3/(mol*s)'), - n = 2.971, - Ea = (6.43, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(5.406,'cm^3/(mol*s)'), n=2.971, Ea=(6.43,'kcal/mol'), T0=(1,'K')), reference = Article( - authors = ['Long Zhao','Tao Yang','Ralf I. Kaiser','Tyler P. Troy','Musahid Ahmed','Joao Marcelo Ribeiro','Daniel Belisario-Lara','Alexander M. Mebel'], - title = 'Combined Experimental and Computational Study on the Unimolecular Decomposition of JP‑8 Jet Fuel Surrogates. II: n‑Dodecane (n‑C12H26)', + authors = ['Long Zhao', 'Tao Yang', 'Ralf I. Kaiser', 'Tyler P. Troy', 'Musahid Ahmed', 'Joao Marcelo Ribeiro', 'Daniel Belisario-Lara', 'Alexander M. Mebel'], + title = 'Combined Experimental and Computational Study on the Unimolecular Decomposition of JPâ\x80\x918 Jet Fuel Surrogates. II: nâ\x80\x91Dodecane (nâ\x80\x91C12H26)', journal = 'J. Phys. Chem. A', pages = '1281-1297', year = '2017', @@ -58626,8 +39262,8 @@ ), rank = 6, longDesc = -u""" -Electronic structure calculations carried out at the G3(CCSD,MP2)//B3LYP/6-311G(d,p) level of theory. No hindered rotors were considered; however, the error bar is estimated to be 8−41% at 1000 K and by only 2−25% at 1600 K +""" +Electronic structure calculations carried out at the G3(CCSD,MP2)//B3LYP/6-311G(d,p) level of theory. No hindered rotors were considered; however, the error bar is estimated to be 8−41% at 1000 K and by only 2−25% at 1600 K """, ) @@ -58635,15 +39271,10 @@ index = 2919, label = "C5H11-10 + C7H14 <=> C12H25-10", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3.915, 'cm^3/(mol*s)'), - n = 2.977, - Ea = (6.365, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(3.915,'cm^3/(mol*s)'), n=2.977, Ea=(6.365,'kcal/mol'), T0=(1,'K')), reference = Article( - authors = ['Long Zhao','Tao Yang','Ralf I. Kaiser','Tyler P. Troy','Musahid Ahmed','Joao Marcelo Ribeiro','Daniel Belisario-Lara','Alexander M. Mebel'], - title = 'Combined Experimental and Computational Study on the Unimolecular Decomposition of JP‑8 Jet Fuel Surrogates. II: n‑Dodecane (n‑C12H26)', + authors = ['Long Zhao', 'Tao Yang', 'Ralf I. Kaiser', 'Tyler P. Troy', 'Musahid Ahmed', 'Joao Marcelo Ribeiro', 'Daniel Belisario-Lara', 'Alexander M. Mebel'], + title = 'Combined Experimental and Computational Study on the Unimolecular Decomposition of JPâ\x80\x918 Jet Fuel Surrogates. II: nâ\x80\x91Dodecane (nâ\x80\x91C12H26)', journal = 'J. Phys. Chem. A', pages = '1281-1297', year = '2017', @@ -58651,8 +39282,8 @@ ), rank = 6, longDesc = -u""" -Electronic structure calculations carried out at the G3(CCSD,MP2)//B3LYP/6-311G(d,p) level of theory. No hindered rotors were considered; however, the error bar is estimated to be 8−41% at 1000 K and by only 2−25% at 1600 K +""" +Electronic structure calculations carried out at the G3(CCSD,MP2)//B3LYP/6-311G(d,p) level of theory. No hindered rotors were considered; however, the error bar is estimated to be 8−41% at 1000 K and by only 2−25% at 1600 K """, ) @@ -58660,10 +39291,10 @@ index = 2920, label = "C3H7-4 <=> propene_2 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(9.95e+30, 's^-1'), n=-5.3, Ea=(43000, 'cal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(9.95e+30,'s^-1'), n=-5.3, Ea=(43000,'cal/mol'), T0=(1,'K')), reference = Article( - authors = ['Long Zhao','Tao Yang','Ralf I. Kaiser','Tyler P. Troy','Musahid Ahmed','Daniel Belisario-Lara','Joao Marcelo Ribeiro','Alexander M. Mebel'], - title = 'Combined Experimental and Computational Study on the Unimolecular Decomposition of JP‑8 Jet Fuel Surrogates. I. n‑Decane (n‑C10H22)', + authors = ['Long Zhao', 'Tao Yang', 'Ralf I. Kaiser', 'Tyler P. Troy', 'Musahid Ahmed', 'Daniel Belisario-Lara', 'Joao Marcelo Ribeiro', 'Alexander M. Mebel'], + title = 'Combined Experimental and Computational Study on the Unimolecular Decomposition of JPâ\x80\x918 Jet Fuel Surrogates. I. nâ\x80\x91Decane (nâ\x80\x91C10H22)', journal = 'J. Phys. Chem. A', pages = '1261-1280', year = '2017', @@ -58671,8 +39302,8 @@ ), rank = 6, longDesc = -u""" -Electronic structure calculations carried out at the G3(CCSD,MP2)//B3LYP/6-311G(d,p) level of theory. No hindered rotors were considered; however, the error bar is estimated to be 8−41% at 1000 K and by only 2−25% at 1600 K. Kinetics are reported in the reverse (B-scission) direction. +""" +Electronic structure calculations carried out at the G3(CCSD,MP2)//B3LYP/6-311G(d,p) level of theory. No hindered rotors were considered; however, the error bar is estimated to be 8−41% at 1000 K and by only 2−25% at 1600 K. Kinetics are reported in the reverse (B-scission) direction. """, ) @@ -58680,10 +39311,10 @@ index = 2921, label = "C4H9-8 <=> butene1_2 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(1.86e+33, 's^-1'), n=-5.98, Ea=(44880, 'cal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(1.86e+33,'s^-1'), n=-5.98, Ea=(44880,'cal/mol'), T0=(1,'K')), reference = Article( - authors = ['Long Zhao','Tao Yang','Ralf I. Kaiser','Tyler P. Troy','Musahid Ahmed','Daniel Belisario-Lara','Joao Marcelo Ribeiro','Alexander M. Mebel'], - title = 'Combined Experimental and Computational Study on the Unimolecular Decomposition of JP‑8 Jet Fuel Surrogates. I. n‑Decane (n‑C10H22)', + authors = ['Long Zhao', 'Tao Yang', 'Ralf I. Kaiser', 'Tyler P. Troy', 'Musahid Ahmed', 'Daniel Belisario-Lara', 'Joao Marcelo Ribeiro', 'Alexander M. Mebel'], + title = 'Combined Experimental and Computational Study on the Unimolecular Decomposition of JPâ\x80\x918 Jet Fuel Surrogates. I. nâ\x80\x91Decane (nâ\x80\x91C10H22)', journal = 'J. Phys. Chem. A', pages = '1261-1280', year = '2017', @@ -58691,8 +39322,8 @@ ), rank = 6, longDesc = -u""" -Electronic structure calculations carried out at the G3(CCSD,MP2)//B3LYP/6-311G(d,p) level of theory. No hindered rotors were considered; however, the error bar is estimated to be 8−41% at 1000 K and by only 2−25% at 1600 K. Kinetics are reported in the reverse (B-scission) direction. +""" +Electronic structure calculations carried out at the G3(CCSD,MP2)//B3LYP/6-311G(d,p) level of theory. No hindered rotors were considered; however, the error bar is estimated to be 8−41% at 1000 K and by only 2−25% at 1600 K. Kinetics are reported in the reverse (B-scission) direction. """, ) @@ -58700,10 +39331,10 @@ index = 2922, label = "C5H11-11 <=> C5H10-4 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(4.87e+31, 's^-1'), n=-5.55, Ea=(44230, 'cal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(4.87e+31,'s^-1'), n=-5.55, Ea=(44230,'cal/mol'), T0=(1,'K')), reference = Article( - authors = ['Long Zhao','Tao Yang','Ralf I. Kaiser','Tyler P. Troy','Musahid Ahmed','Daniel Belisario-Lara','Joao Marcelo Ribeiro','Alexander M. Mebel'], - title = 'Combined Experimental and Computational Study on the Unimolecular Decomposition of JP‑8 Jet Fuel Surrogates. I. n‑Decane (n‑C10H22)', + authors = ['Long Zhao', 'Tao Yang', 'Ralf I. Kaiser', 'Tyler P. Troy', 'Musahid Ahmed', 'Daniel Belisario-Lara', 'Joao Marcelo Ribeiro', 'Alexander M. Mebel'], + title = 'Combined Experimental and Computational Study on the Unimolecular Decomposition of JPâ\x80\x918 Jet Fuel Surrogates. I. nâ\x80\x91Decane (nâ\x80\x91C10H22)', journal = 'J. Phys. Chem. A', pages = '1261-1280', year = '2017', @@ -58711,8 +39342,8 @@ ), rank = 6, longDesc = -u""" -Electronic structure calculations carried out at the G3(CCSD,MP2)//B3LYP/6-311G(d,p) level of theory. No hindered rotors were considered; however, the error bar is estimated to be 8−41% at 1000 K and by only 2−25% at 1600 K. Kinetics are reported in the reverse (B-scission) direction. +""" +Electronic structure calculations carried out at the G3(CCSD,MP2)//B3LYP/6-311G(d,p) level of theory. No hindered rotors were considered; however, the error bar is estimated to be 8−41% at 1000 K and by only 2−25% at 1600 K. Kinetics are reported in the reverse (B-scission) direction. """, ) @@ -58720,10 +39351,10 @@ index = 2923, label = "C5H11-2 <=> propene_1 + C2H5", degeneracy = 1.0, - kinetics = Arrhenius(A=(1.24e+30, 's^-1'), n=-4.86, Ea=(38050, 'cal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(1.24e+30,'s^-1'), n=-4.86, Ea=(38050,'cal/mol'), T0=(1,'K')), reference = Article( - authors = ['Long Zhao','Tao Yang','Ralf I. Kaiser','Tyler P. Troy','Musahid Ahmed','Daniel Belisario-Lara','Joao Marcelo Ribeiro','Alexander M. Mebel'], - title = 'Combined Experimental and Computational Study on the Unimolecular Decomposition of JP‑8 Jet Fuel Surrogates. I. n‑Decane (n‑C10H22)', + authors = ['Long Zhao', 'Tao Yang', 'Ralf I. Kaiser', 'Tyler P. Troy', 'Musahid Ahmed', 'Daniel Belisario-Lara', 'Joao Marcelo Ribeiro', 'Alexander M. Mebel'], + title = 'Combined Experimental and Computational Study on the Unimolecular Decomposition of JPâ\x80\x918 Jet Fuel Surrogates. I. nâ\x80\x91Decane (nâ\x80\x91C10H22)', journal = 'J. Phys. Chem. A', pages = '1261-1280', year = '2017', @@ -58731,8 +39362,8 @@ ), rank = 6, longDesc = -u""" -Electronic structure calculations carried out at the G3(CCSD,MP2)//B3LYP/6-311G(d,p) level of theory. No hindered rotors were considered; however, the error bar is estimated to be 8−41% at 1000 K and by only 2−25% at 1600 K. Kinetics are reported in the reverse (B-scission) direction. +""" +Electronic structure calculations carried out at the G3(CCSD,MP2)//B3LYP/6-311G(d,p) level of theory. No hindered rotors were considered; however, the error bar is estimated to be 8−41% at 1000 K and by only 2−25% at 1600 K. Kinetics are reported in the reverse (B-scission) direction. """, ) @@ -58740,10 +39371,10 @@ index = 2924, label = "C6H13-12 <=> C6H12-3 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(8.85e+29, 's^-1'), n=-5.03, Ea=(43290, 'cal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(8.85e+29,'s^-1'), n=-5.03, Ea=(43290,'cal/mol'), T0=(1,'K')), reference = Article( - authors = ['Long Zhao','Tao Yang','Ralf I. Kaiser','Tyler P. Troy','Musahid Ahmed','Daniel Belisario-Lara','Joao Marcelo Ribeiro','Alexander M. Mebel'], - title = 'Combined Experimental and Computational Study on the Unimolecular Decomposition of JP‑8 Jet Fuel Surrogates. I. n‑Decane (n‑C10H22)', + authors = ['Long Zhao', 'Tao Yang', 'Ralf I. Kaiser', 'Tyler P. Troy', 'Musahid Ahmed', 'Daniel Belisario-Lara', 'Joao Marcelo Ribeiro', 'Alexander M. Mebel'], + title = 'Combined Experimental and Computational Study on the Unimolecular Decomposition of JPâ\x80\x918 Jet Fuel Surrogates. I. nâ\x80\x91Decane (nâ\x80\x91C10H22)', journal = 'J. Phys. Chem. A', pages = '1261-1280', year = '2017', @@ -58751,8 +39382,8 @@ ), rank = 6, longDesc = -u""" -Electronic structure calculations carried out at the G3(CCSD,MP2)//B3LYP/6-311G(d,p) level of theory. No hindered rotors were considered; however, the error bar is estimated to be 8−41% at 1000 K and by only 2−25% at 1600 K. Kinetics are reported in the reverse (B-scission) direction. +""" +Electronic structure calculations carried out at the G3(CCSD,MP2)//B3LYP/6-311G(d,p) level of theory. No hindered rotors were considered; however, the error bar is estimated to be 8−41% at 1000 K and by only 2−25% at 1600 K. Kinetics are reported in the reverse (B-scission) direction. """, ) @@ -58760,10 +39391,10 @@ index = 2925, label = "C6H13-13 <=> propene_1 + C3H7-5", degeneracy = 1.0, - kinetics = Arrhenius(A=(1.77e+29, 's^-1'), n=-4.6, Ea=(38210, 'cal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(1.77e+29,'s^-1'), n=-4.6, Ea=(38210,'cal/mol'), T0=(1,'K')), reference = Article( - authors = ['Long Zhao','Tao Yang','Ralf I. Kaiser','Tyler P. Troy','Musahid Ahmed','Daniel Belisario-Lara','Joao Marcelo Ribeiro','Alexander M. Mebel'], - title = 'Combined Experimental and Computational Study on the Unimolecular Decomposition of JP‑8 Jet Fuel Surrogates. I. n‑Decane (n‑C10H22)', + authors = ['Long Zhao', 'Tao Yang', 'Ralf I. Kaiser', 'Tyler P. Troy', 'Musahid Ahmed', 'Daniel Belisario-Lara', 'Joao Marcelo Ribeiro', 'Alexander M. Mebel'], + title = 'Combined Experimental and Computational Study on the Unimolecular Decomposition of JPâ\x80\x918 Jet Fuel Surrogates. I. nâ\x80\x91Decane (nâ\x80\x91C10H22)', journal = 'J. Phys. Chem. A', pages = '1261-1280', year = '2017', @@ -58771,8 +39402,8 @@ ), rank = 6, longDesc = -u""" -Electronic structure calculations carried out at the G3(CCSD,MP2)//B3LYP/6-311G(d,p) level of theory. No hindered rotors were considered; however, the error bar is estimated to be 8−41% at 1000 K and by only 2−25% at 1600 K. Kinetics are reported in the reverse (B-scission) direction. +""" +Electronic structure calculations carried out at the G3(CCSD,MP2)//B3LYP/6-311G(d,p) level of theory. No hindered rotors were considered; however, the error bar is estimated to be 8−41% at 1000 K and by only 2−25% at 1600 K. Kinetics are reported in the reverse (B-scission) direction. """, ) @@ -58780,14 +39411,9 @@ index = 2926, label = "H + propene_1 <=> C3H7-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3.602e+09, 'cm^3/(mol*s)'), - n = 1.284, - Ea = (2.819, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(3.602e+09,'cm^3/(mol*s)'), n=1.284, Ea=(2.819,'kcal/mol'), T0=(1,'K')), reference = Article( - authors = ['HongBo Ning','ChunMing Gong','ZeRong Li','XiangYuan Li'], + authors = ['HongBo Ning', 'ChunMing Gong', 'ZeRong Li', 'XiangYuan Li'], title = 'Pressure-Dependent Kinetics of Initial Reactions in Iso-octane Pyrolysis', journal = 'J. Phys. Chem. A', pages = '4093-4107', @@ -58796,7 +39422,7 @@ ), rank = 6, longDesc = -u""" +""" Species are optimized and calculated by the CBS-QB3 method, no hindered rotors considered. """, ) @@ -58805,14 +39431,9 @@ index = 2927, label = "H + C4H8 <=> C4H9-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.691e+10, 'cm^3/(mol*s)'), - n = 1.168, - Ea = (2.996, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(1.691e+10,'cm^3/(mol*s)'), n=1.168, Ea=(2.996,'kcal/mol'), T0=(1,'K')), reference = Article( - authors = ['HongBo Ning','ChunMing Gong','ZeRong Li','XiangYuan Li'], + authors = ['HongBo Ning', 'ChunMing Gong', 'ZeRong Li', 'XiangYuan Li'], title = 'Pressure-Dependent Kinetics of Initial Reactions in Iso-octane Pyrolysis', journal = 'J. Phys. Chem. A', pages = '4093-4107', @@ -58821,7 +39442,7 @@ ), rank = 6, longDesc = -u""" +""" Species are optimized and calculated by the CBS-QB3 method, no hindered rotors considered. """, ) @@ -58830,14 +39451,9 @@ index = 2928, label = "H + C4H8-2 <=> C4H9-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2.383e+08, 'cm^3/(mol*s)'), - n = 1.538, - Ea = (2.871, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(2.383e+08,'cm^3/(mol*s)'), n=1.538, Ea=(2.871,'kcal/mol'), T0=(1,'K')), reference = Article( - authors = ['HongBo Ning','ChunMing Gong','ZeRong Li','XiangYuan Li'], + authors = ['HongBo Ning', 'ChunMing Gong', 'ZeRong Li', 'XiangYuan Li'], title = 'Pressure-Dependent Kinetics of Initial Reactions in Iso-octane Pyrolysis', journal = 'J. Phys. Chem. A', pages = '4093-4107', @@ -58846,7 +39462,7 @@ ), rank = 6, longDesc = -u""" +""" Species are optimized and calculated by the CBS-QB3 method, no hindered rotors considered. """, ) @@ -58855,9 +39471,9 @@ index = 2929, label = "CH3 + propene_2 <=> C4H9-4", degeneracy = 1.0, - kinetics = Arrhenius(A=(158, 'cm^3/(mol*s)'), n=2.966, Ea=(6.337, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(158,'cm^3/(mol*s)'), n=2.966, Ea=(6.337,'kcal/mol'), T0=(1,'K')), reference = Article( - authors = ['HongBo Ning','ChunMing Gong','ZeRong Li','XiangYuan Li'], + authors = ['HongBo Ning', 'ChunMing Gong', 'ZeRong Li', 'XiangYuan Li'], title = 'Pressure-Dependent Kinetics of Initial Reactions in Iso-octane Pyrolysis', journal = 'J. Phys. Chem. A', pages = '4093-4107', @@ -58866,7 +39482,7 @@ ), rank = 6, longDesc = -u""" +""" Species are optimized and calculated by the CBS-QB3 method, no hindered rotors considered. """, ) @@ -58875,14 +39491,9 @@ index = 2930, label = "CH3 + C4H8-2 <=> C5H11-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (82.04, 'cm^3/(mol*s)'), - n = 2.904, - Ea = (7.557, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(82.04,'cm^3/(mol*s)'), n=2.904, Ea=(7.557,'kcal/mol'), T0=(1,'K')), reference = Article( - authors = ['HongBo Ning','ChunMing Gong','ZeRong Li','XiangYuan Li'], + authors = ['HongBo Ning', 'ChunMing Gong', 'ZeRong Li', 'XiangYuan Li'], title = 'Pressure-Dependent Kinetics of Initial Reactions in Iso-octane Pyrolysis', journal = 'J. Phys. Chem. A', pages = '4093-4107', @@ -58891,7 +39502,7 @@ ), rank = 6, longDesc = -u""" +""" Species are optimized and calculated by the CBS-QB3 method, no hindered rotors considered. """, ) @@ -58900,14 +39511,9 @@ index = 2931, label = "C3H7-2 + C4H8 <=> C7H15-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (557.5, 'cm^3/(mol*s)'), - n = 2.47, - Ea = (3.895, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(557.5,'cm^3/(mol*s)'), n=2.47, Ea=(3.895,'kcal/mol'), T0=(1,'K')), reference = Article( - authors = ['HongBo Ning','ChunMing Gong','ZeRong Li','XiangYuan Li'], + authors = ['HongBo Ning', 'ChunMing Gong', 'ZeRong Li', 'XiangYuan Li'], title = 'Pressure-Dependent Kinetics of Initial Reactions in Iso-octane Pyrolysis', journal = 'J. Phys. Chem. A', pages = '4093-4107', @@ -58916,7 +39522,7 @@ ), rank = 6, longDesc = -u""" +""" Species are optimized and calculated by the CBS-QB3 method, no hindered rotors considered. """, ) @@ -58925,14 +39531,9 @@ index = 2932, label = "H + C7H14-2 <=> C7H15-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2.174e+12, 'cm^3/(mol*s)'), - n = 0.464, - Ea = (7.387, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(2.174e+12,'cm^3/(mol*s)'), n=0.464, Ea=(7.387,'kcal/mol'), T0=(1,'K')), reference = Article( - authors = ['HongBo Ning','ChunMing Gong','ZeRong Li','XiangYuan Li'], + authors = ['HongBo Ning', 'ChunMing Gong', 'ZeRong Li', 'XiangYuan Li'], title = 'Pressure-Dependent Kinetics of Initial Reactions in Iso-octane Pyrolysis', journal = 'J. Phys. Chem. A', pages = '4093-4107', @@ -58941,7 +39542,7 @@ ), rank = 6, longDesc = -u""" +""" Species are optimized and calculated by the CBS-QB3 method, no hindered rotors considered. """, ) @@ -58950,14 +39551,9 @@ index = 2933, label = "H + C7H14-3 <=> C7H15-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3.066e+11, 'cm^3/(mol*s)'), - n = 0.481, - Ea = (7.426, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(3.066e+11,'cm^3/(mol*s)'), n=0.481, Ea=(7.426,'kcal/mol'), T0=(1,'K')), reference = Article( - authors = ['HongBo Ning','ChunMing Gong','ZeRong Li','XiangYuan Li'], + authors = ['HongBo Ning', 'ChunMing Gong', 'ZeRong Li', 'XiangYuan Li'], title = 'Pressure-Dependent Kinetics of Initial Reactions in Iso-octane Pyrolysis', journal = 'J. Phys. Chem. A', pages = '4093-4107', @@ -58966,7 +39562,7 @@ ), rank = 6, longDesc = -u""" +""" Species are optimized and calculated by the CBS-QB3 method, no hindered rotors considered. """, ) @@ -58975,9 +39571,9 @@ index = 2934, label = "C4H9 + propene_1 <=> C7H15", degeneracy = 1.0, - kinetics = Arrhenius(A=(108.8, 'cm^3/(mol*s)'), n=2.63, Ea=(2.47, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(108.8,'cm^3/(mol*s)'), n=2.63, Ea=(2.47,'kcal/mol'), T0=(1,'K')), reference = Article( - authors = ['HongBo Ning','ChunMing Gong','ZeRong Li','XiangYuan Li'], + authors = ['HongBo Ning', 'ChunMing Gong', 'ZeRong Li', 'XiangYuan Li'], title = 'Pressure-Dependent Kinetics of Initial Reactions in Iso-octane Pyrolysis', journal = 'J. Phys. Chem. A', pages = '4093-4107', @@ -58986,7 +39582,7 @@ ), rank = 6, longDesc = -u""" +""" Species are optimized and calculated by the CBS-QB3 method, no hindered rotors considered. """, ) @@ -58995,14 +39591,9 @@ index = 2935, label = "H + C7H14-4 <=> C7H15-13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8.892e+09, 'cm^3/(mol*s)'), - n = 1.073, - Ea = (2.175, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(8.892e+09,'cm^3/(mol*s)'), n=1.073, Ea=(2.175,'kcal/mol'), T0=(1,'K')), reference = Article( - authors = ['HongBo Ning','ChunMing Gong','ZeRong Li','XiangYuan Li'], + authors = ['HongBo Ning', 'ChunMing Gong', 'ZeRong Li', 'XiangYuan Li'], title = 'Pressure-Dependent Kinetics of Initial Reactions in Iso-octane Pyrolysis', journal = 'J. Phys. Chem. A', pages = '4093-4107', @@ -59011,7 +39602,7 @@ ), rank = 6, longDesc = -u""" +""" Species are optimized and calculated by the CBS-QB3 method, no hindered rotors considered. """, ) @@ -59020,14 +39611,9 @@ index = 2936, label = "H + C7H14-5 <=> C7H15-14", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7.137e+11, 'cm^3/(mol*s)'), - n = 0.557, - Ea = (6.066, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(7.137e+11,'cm^3/(mol*s)'), n=0.557, Ea=(6.066,'kcal/mol'), T0=(1,'K')), reference = Article( - authors = ['HongBo Ning','ChunMing Gong','ZeRong Li','XiangYuan Li'], + authors = ['HongBo Ning', 'ChunMing Gong', 'ZeRong Li', 'XiangYuan Li'], title = 'Pressure-Dependent Kinetics of Initial Reactions in Iso-octane Pyrolysis', journal = 'J. Phys. Chem. A', pages = '4093-4107', @@ -59036,22 +39622,18 @@ ), rank = 6, longDesc = -u""" +""" Species are optimized and calculated by the CBS-QB3 method, no hindered rotors considered. """, ) + entry( index = 2937, label = "CH3 + C6H12-4 <=> C7H15-15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5.735, 'cm^3/(mol*s)'), - n = 3.077, - Ea = (10.378, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(5.735,'cm^3/(mol*s)'), n=3.077, Ea=(10.378,'kcal/mol'), T0=(1,'K')), reference = Article( - authors = ['HongBo Ning','ChunMing Gong','ZeRong Li','XiangYuan Li'], + authors = ['HongBo Ning', 'ChunMing Gong', 'ZeRong Li', 'XiangYuan Li'], title = 'Pressure-Dependent Kinetics of Initial Reactions in Iso-octane Pyrolysis', journal = 'J. Phys. Chem. A', pages = '4093-4107', @@ -59060,7 +39642,7 @@ ), rank = 6, longDesc = -u""" +""" Species are optimized and calculated by the CBS-QB3 method, no hindered rotors considered. """, ) @@ -59069,14 +39651,9 @@ index = 2938, label = "C4H9-9 + propene_2 <=> C7H15-16", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.502, 'cm^3/(mol*s)'), - n = 3.105, - Ea = (5.819, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(1.502,'cm^3/(mol*s)'), n=3.105, Ea=(5.819,'kcal/mol'), T0=(1,'K')), reference = Article( - authors = ['HongBo Ning','ChunMing Gong','ZeRong Li','XiangYuan Li'], + authors = ['HongBo Ning', 'ChunMing Gong', 'ZeRong Li', 'XiangYuan Li'], title = 'Pressure-Dependent Kinetics of Initial Reactions in Iso-octane Pyrolysis', journal = 'J. Phys. Chem. A', pages = '4093-4107', @@ -59085,7 +39662,7 @@ ), rank = 6, longDesc = -u""" +""" Species are optimized and calculated by the CBS-QB3 method, no hindered rotors considered. """, ) @@ -59094,14 +39671,9 @@ index = 2939, label = "CH3 + C6H12-5 <=> C7H15-17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2.72, 'cm^3/(mol*s)'), - n = 3.079, - Ea = (7.209, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(2.72,'cm^3/(mol*s)'), n=3.079, Ea=(7.209,'kcal/mol'), T0=(1,'K')), reference = Article( - authors = ['HongBo Ning','ChunMing Gong','ZeRong Li','XiangYuan Li'], + authors = ['HongBo Ning', 'ChunMing Gong', 'ZeRong Li', 'XiangYuan Li'], title = 'Pressure-Dependent Kinetics of Initial Reactions in Iso-octane Pyrolysis', journal = 'J. Phys. Chem. A', pages = '4093-4107', @@ -59110,7 +39682,7 @@ ), rank = 6, longDesc = -u""" +""" Species are optimized and calculated by the CBS-QB3 method, no hindered rotors considered. """, ) @@ -59119,14 +39691,9 @@ index = 2940, label = "C3H7-5 + C4H8-2 <=> C7H15-18", degeneracy = 1.0, - kinetics = Arrhenius( - A = (0.6732, 'cm^3/(mol*s)'), - n = 3.106, - Ea = (6.936, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(0.6732,'cm^3/(mol*s)'), n=3.106, Ea=(6.936,'kcal/mol'), T0=(1,'K')), reference = Article( - authors = ['HongBo Ning','ChunMing Gong','ZeRong Li','XiangYuan Li'], + authors = ['HongBo Ning', 'ChunMing Gong', 'ZeRong Li', 'XiangYuan Li'], title = 'Pressure-Dependent Kinetics of Initial Reactions in Iso-octane Pyrolysis', journal = 'J. Phys. Chem. A', pages = '4093-4107', @@ -59135,7 +39702,7 @@ ), rank = 6, longDesc = -u""" +""" Species are optimized and calculated by the CBS-QB3 method, no hindered rotors considered. """, ) @@ -59144,14 +39711,9 @@ index = 2941, label = "CH3 + C7H14-6 <=> C8H17-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3292, 'cm^3/(mol*s)'), - n = 2.35, - Ea = (11.582, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(3292,'cm^3/(mol*s)'), n=2.35, Ea=(11.582,'kcal/mol'), T0=(1,'K')), reference = Article( - authors = ['HongBo Ning','ChunMing Gong','ZeRong Li','XiangYuan Li'], + authors = ['HongBo Ning', 'ChunMing Gong', 'ZeRong Li', 'XiangYuan Li'], title = 'Pressure-Dependent Kinetics of Initial Reactions in Iso-octane Pyrolysis', journal = 'J. Phys. Chem. A', pages = '4093-4107', @@ -59160,7 +39722,7 @@ ), rank = 6, longDesc = -u""" +""" Species are optimized and calculated by the CBS-QB3 method, no hindered rotors considered. """, ) @@ -59169,14 +39731,9 @@ index = 2942, label = "C4H9-9 + C4H8-2 <=> C8H17-10", degeneracy = 1.0, - kinetics = Arrhenius( - A = (511.3, 'cm^3/(mol*s)'), - n = 2.189, - Ea = (8.596, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(511.3,'cm^3/(mol*s)'), n=2.189, Ea=(8.596,'kcal/mol'), T0=(1,'K')), reference = Article( - authors = ['HongBo Ning','ChunMing Gong','ZeRong Li','XiangYuan Li'], + authors = ['HongBo Ning', 'ChunMing Gong', 'ZeRong Li', 'XiangYuan Li'], title = 'Pressure-Dependent Kinetics of Initial Reactions in Iso-octane Pyrolysis', journal = 'J. Phys. Chem. A', pages = '4093-4107', @@ -59185,7 +39742,7 @@ ), rank = 6, longDesc = -u""" +""" Species are optimized and calculated by the CBS-QB3 method, no hindered rotors considered. """, ) @@ -59194,14 +39751,9 @@ index = 2943, label = "H + C8H16-2 <=> C8H17-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3.602e+10, 'cm^3/(mol*s)'), - n = 0.841, - Ea = (2.517, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(3.602e+10,'cm^3/(mol*s)'), n=0.841, Ea=(2.517,'kcal/mol'), T0=(1,'K')), reference = Article( - authors = ['HongBo Ning','ChunMing Gong','ZeRong Li','XiangYuan Li'], + authors = ['HongBo Ning', 'ChunMing Gong', 'ZeRong Li', 'XiangYuan Li'], title = 'Pressure-Dependent Kinetics of Initial Reactions in Iso-octane Pyrolysis', journal = 'J. Phys. Chem. A', pages = '4093-4107', @@ -59210,7 +39762,7 @@ ), rank = 6, longDesc = -u""" +""" Species are optimized and calculated by the CBS-QB3 method, no hindered rotors considered. """, ) @@ -59219,14 +39771,9 @@ index = 2944, label = "CH3 + C7H14-7 <=> C8H17-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (32410, 'cm^3/(mol*s)'), - n = 2.171, - Ea = (6.632, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(32410,'cm^3/(mol*s)'), n=2.171, Ea=(6.632,'kcal/mol'), T0=(1,'K')), reference = Article( - authors = ['HongBo Ning','ChunMing Gong','ZeRong Li','XiangYuan Li'], + authors = ['HongBo Ning', 'ChunMing Gong', 'ZeRong Li', 'XiangYuan Li'], title = 'Pressure-Dependent Kinetics of Initial Reactions in Iso-octane Pyrolysis', journal = 'J. Phys. Chem. A', pages = '4093-4107', @@ -59235,7 +39782,7 @@ ), rank = 6, longDesc = -u""" +""" Species are optimized and calculated by the CBS-QB3 method, no hindered rotors considered. """, ) @@ -59244,14 +39791,9 @@ index = 2945, label = "CH3 + C7H14-8 <=> C8H17-13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (24460, 'cm^3/(mol*s)'), - n = 2.18, - Ea = (7.469, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(24460,'cm^3/(mol*s)'), n=2.18, Ea=(7.469,'kcal/mol'), T0=(1,'K')), reference = Article( - authors = ['HongBo Ning','ChunMing Gong','ZeRong Li','XiangYuan Li'], + authors = ['HongBo Ning', 'ChunMing Gong', 'ZeRong Li', 'XiangYuan Li'], title = 'Pressure-Dependent Kinetics of Initial Reactions in Iso-octane Pyrolysis', journal = 'J. Phys. Chem. A', pages = '4093-4107', @@ -59260,7 +39802,7 @@ ), rank = 6, longDesc = -u""" +""" Species are optimized and calculated by the CBS-QB3 method, no hindered rotors considered. """, ) @@ -59269,9 +39811,9 @@ index = 2946, label = "C4H9 + C4H8 <=> C8H17", degeneracy = 1.0, - kinetics = Arrhenius(A=(1238, 'cm^3/(mol*s)'), n=2.31, Ea=(2.516, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(1238,'cm^3/(mol*s)'), n=2.31, Ea=(2.516,'kcal/mol'), T0=(1,'K')), reference = Article( - authors = ['HongBo Ning','ChunMing Gong','ZeRong Li','XiangYuan Li'], + authors = ['HongBo Ning', 'ChunMing Gong', 'ZeRong Li', 'XiangYuan Li'], title = 'Pressure-Dependent Kinetics of Initial Reactions in Iso-octane Pyrolysis', journal = 'J. Phys. Chem. A', pages = '4093-4107', @@ -59280,7 +39822,7 @@ ), rank = 6, longDesc = -u""" +""" Species are optimized and calculated by the CBS-QB3 method, no hindered rotors considered. """, ) @@ -59289,14 +39831,9 @@ index = 2947, label = "H + C8H16-3 <=> C8H17-14", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8.215e+12, 'cm^3/(mol*s)'), - n = 0.201, - Ea = (3.912, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(8.215e+12,'cm^3/(mol*s)'), n=0.201, Ea=(3.912,'kcal/mol'), T0=(1,'K')), reference = Article( - authors = ['HongBo Ning','ChunMing Gong','ZeRong Li','XiangYuan Li'], + authors = ['HongBo Ning', 'ChunMing Gong', 'ZeRong Li', 'XiangYuan Li'], title = 'Pressure-Dependent Kinetics of Initial Reactions in Iso-octane Pyrolysis', journal = 'J. Phys. Chem. A', pages = '4093-4107', @@ -59305,22 +39842,18 @@ ), rank = 6, longDesc = -u""" +""" Species are optimized and calculated by the CBS-QB3 method, no hindered rotors considered. """, ) + entry( index = 2948, label = "CH3 + C7H14-9 <=> C8H17-15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (20560, 'cm^3/(mol*s)'), - n = 2.169, - Ea = (7.027, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(20560,'cm^3/(mol*s)'), n=2.169, Ea=(7.027,'kcal/mol'), T0=(1,'K')), reference = Article( - authors = ['HongBo Ning','ChunMing Gong','ZeRong Li','XiangYuan Li'], + authors = ['HongBo Ning', 'ChunMing Gong', 'ZeRong Li', 'XiangYuan Li'], title = 'Pressure-Dependent Kinetics of Initial Reactions in Iso-octane Pyrolysis', journal = 'J. Phys. Chem. A', pages = '4093-4107', @@ -59329,7 +39862,7 @@ ), rank = 6, longDesc = -u""" +""" Species are optimized and calculated by the CBS-QB3 method, no hindered rotors considered. """, ) @@ -59338,14 +39871,9 @@ index = 2949, label = "C5H11-12 + propene_2 <=> C8H17-16", degeneracy = 1.0, - kinetics = Arrhenius( - A = (334.3, 'cm^3/(mol*s)'), - n = 2.203, - Ea = (7.151, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(334.3,'cm^3/(mol*s)'), n=2.203, Ea=(7.151,'kcal/mol'), T0=(1,'K')), reference = Article( - authors = ['HongBo Ning','ChunMing Gong','ZeRong Li','XiangYuan Li'], + authors = ['HongBo Ning', 'ChunMing Gong', 'ZeRong Li', 'XiangYuan Li'], title = 'Pressure-Dependent Kinetics of Initial Reactions in Iso-octane Pyrolysis', journal = 'J. Phys. Chem. A', pages = '4093-4107', @@ -59354,7 +39882,7 @@ ), rank = 6, longDesc = -u""" +""" Species are optimized and calculated by the CBS-QB3 method, no hindered rotors considered. """, ) @@ -59363,12 +39891,7 @@ index = 2950, label = "H + C24H14-2 <=> C24H15-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4.937e+10, 'cm^3/(mol*s)'), - n = 0.925, - Ea = (0.634, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(4.937e+10,'cm^3/(mol*s)'), n=0.925, Ea=(0.634,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ["'M. Frenklach'", "'R. I. Singh'", "'A. M. Mebel'"], title = 'On the low-temperature limit of HACA', @@ -59379,9 +39902,9 @@ ), referenceType = "theory", rank = 5, - shortDesc = u"""G3(MP2,CC)//B3LYP/6-311G(d,p) level""", - longDesc = -u""" + shortDesc = """G3(MP2,CC)//B3LYP/6-311G(d,p) level""", + longDesc = +""" Quantum chemistry calculations at the G3(MP2,CC)//B3LYP/6-311G(d,p) level. Training reaction from kinetics library: Frenklach2019_ProcCombInst_HighP_Pentacyl Original entry: Acepentacyl + H <=> W2 @@ -59392,12 +39915,7 @@ index = 2951, label = "H + C24H14-3 <=> C24H15-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8.375e+10, 'cm^3/(mol*s)'), - n = 0.849, - Ea = (-0.195, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(8.375e+10,'cm^3/(mol*s)'), n=0.849, Ea=(-0.195,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ["'M. Frenklach'", "'R. I. Singh'", "'A. M. Mebel'"], title = 'On the low-temperature limit of HACA', @@ -59408,9 +39926,9 @@ ), referenceType = "theory", rank = 5, - shortDesc = u"""G3(MP2,CC)//B3LYP/6-311G(d,p) level""", - longDesc = -u""" + shortDesc = """G3(MP2,CC)//B3LYP/6-311G(d,p) level""", + longDesc = +""" Quantum chemistry calculations at the G3(MP2,CC)//B3LYP/6-311G(d,p) level. Training reaction from kinetics library: Frenklach2019_ProcCombInst_HighP_Pentacyl Original entry: Acepentacyl + H <=> W4